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Sample records for ice crystal structure

  1. Structure of ice crystallized from supercooled water

    PubMed Central

    Malkin, Tamsin L.; Murray, Benjamin J.; Brukhno, Andrey V.; Anwar, Jamshed; Salzmann, Christoph G.

    2012-01-01

    The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I. Stacking disorder and stacking faults have been reported earlier for metastable ice I, but only for ice crystallizing in mesopores and in samples recrystallized from high-pressure ice phases rather than in water droplets. Review of the literature reveals that almost all ice that has been identified as cubic ice in previous diffraction studies and generated in a variety of ways was most likely stacking-disordered ice I with varying degrees of stacking disorder. These findings highlight the need to reevaluate the physical and thermodynamic properties of this metastable ice as a function of the nature and extent of stacking disorder using well-characterized samples. PMID:22232652

  2. Ice crystallization in ultrafine water-salt aerosols: nucleation, ice-solution equilibrium, and internal structure.

    PubMed

    Hudait, Arpa; Molinero, Valeria

    2014-06-01

    Atmospheric aerosols have a strong influence on Earth's climate. Elucidating the physical state and internal structure of atmospheric aqueous aerosols is essential to predict their gas and water uptake, and the locus and rate of atmospherically important heterogeneous reactions. Ultrafine aerosols with sizes between 3 and 15 nm have been detected in large numbers in the troposphere and tropopause. Nanoscopic aerosols arising from bubble bursting of natural and artificial seawater have been identified in laboratory and field experiments. The internal structure and phase state of these aerosols, however, cannot yet be determined in experiments. Here we use molecular simulations to investigate the phase behavior and internal structure of liquid, vitrified, and crystallized water-salt ultrafine aerosols with radii from 2.5 to 9.5 nm and with up to 10% moles of ions. We find that both ice crystallization and vitrification of the nanodroplets lead to demixing of pure water from the solutions. Vitrification of aqueous nanodroplets yields nanodomains of pure low-density amorphous ice in coexistence with vitrified solute rich aqueous glass. The melting temperature of ice in the aerosols decreases monotonically with an increase of solute fraction and decrease of radius. The simulations reveal that nucleation of ice occurs homogeneously at the subsurface of the water-salt nanoparticles. Subsequent ice growth yields phase-segregated, internally mixed, aerosols with two phases in equilibrium: a concentrated water-salt amorphous mixture and a spherical cap-like ice nanophase. The surface of the crystallized aerosols is heterogeneous, with ice and solution exposed to the vapor. Free energy calculations indicate that as the concentration of salt in the particles, the advance of the crystallization, or the size of the particles increase, the stability of the spherical cap structure increases with respect to the alternative structure in which a core of ice is fully surrounded by solution. We predict that micrometer-sized particles and nanoparticles have the same equilibrium internal structure. The variation of liquid-vapor surface tension with solute concentration is a key factor in determining whether a solution-embedded ice core or vapor-exposed ice cap is the equilibrium structure of the aerosols. In agreement with experiments, we predict that the structure of mixed-phase HNO3-water particles, representative of polar stratospheric clouds, consists of an ice core surrounded by freeze-concentrated solution. The results of this work are important to determine the phase state and internal structure of sea spray ultrafine aerosols and other mixed-phase particles under atmospherically relevant conditions. PMID:24820354

  3. Development of Measurement System for Three-Dimensional Structure of Ice Crystals in Raw Beef Samples

    NASA Astrophysics Data System (ADS)

    Do, Gab-Soo; Sagara, Yasuyuki; Tabata, Mizuho; Kudoh, Ken-Ichi; Higuchi, Toshiro

    Micro-Slicer Image Processing System (MSIPS) has been developed for measuring the three-dimensional(3-D) structure and distribution of ice crystals formed in biological materials. The system has functions to reconstruct the 3-D image based on the image data of exposed cross sections obtained by multi-slicing of a frozen sample with the minimum thickness of 1?m and to display the internal structure as well as an arbitrary cross section of the sample choosing observation angles. The effects of freezing conditions on the morphology and distribl1tion of ice crystals were demonstrated quantitatively from the observations of raw beef stained by fluorescent indicator. The 3-D image of the sample demonstrated that the growth of ice columns was restricted by the intrinsic structure of muscle fibers. The proposed method provided a new tool to investigate the effects of freezing conditions on the size, morphology and distribution of ice crystals.

  4. Crystal Structure of an Insect Antifreeze Protein and Its Implications for Ice Binding*

    PubMed Central

    Hakim, Aaron; Nguyen, Jennifer B.; Basu, Koli; Zhu, Darren F.; Thakral, Durga; Davies, Peter L.; Isaacs, Farren J.; Modis, Yorgo; Meng, Wuyi

    2013-01-01

    Antifreeze proteins (AFPs) help some organisms resist freezing by binding to ice crystals and inhibiting their growth. The molecular basis for how these proteins recognize and bind ice is not well understood. The longhorn beetle Rhagium inquisitor can supercool to below −25 °C, in part by synthesizing the most potent antifreeze protein studied thus far (RiAFP). We report the crystal structure of the 13-kDa RiAFP, determined at 1.21 Å resolution using direct methods. The structure, which contains 1,914 nonhydrogen protein atoms in the asymmetric unit, is the largest determined ab initio without heavy atoms. It reveals a compressed β-solenoid fold in which the top and bottom sheets are held together by a silk-like interdigitation of short side chains. RiAFP is perhaps the most regular structure yet observed. It is a second independently evolved AFP type in beetles. The two beetle AFPs have in common an extremely flat ice-binding surface comprising regular outward-projecting parallel arrays of threonine residues. The more active, wider RiAFP has four (rather than two) of these arrays between which the crystal structure shows the presence of ice-like waters. Molecular dynamics simulations independently reproduce the locations of these ordered crystallographic waters and predict additional waters that together provide an extensive view of the AFP interaction with ice. By matching several planes of hexagonal ice, these waters may help freeze the AFP to the ice surface, thus providing the molecular basis of ice binding. PMID:23486477

  5. Crystal structure of an insect antifreeze protein and its implications for ice binding.

    PubMed

    Hakim, Aaron; Nguyen, Jennifer B; Basu, Koli; Zhu, Darren F; Thakral, Durga; Davies, Peter L; Isaacs, Farren J; Modis, Yorgo; Meng, Wuyi

    2013-04-26

    Antifreeze proteins (AFPs) help some organisms resist freezing by binding to ice crystals and inhibiting their growth. The molecular basis for how these proteins recognize and bind ice is not well understood. The longhorn beetle Rhagium inquisitor can supercool to below -25 °C, in part by synthesizing the most potent antifreeze protein studied thus far (RiAFP). We report the crystal structure of the 13-kDa RiAFP, determined at 1.21 Å resolution using direct methods. The structure, which contains 1,914 nonhydrogen protein atoms in the asymmetric unit, is the largest determined ab initio without heavy atoms. It reveals a compressed β-solenoid fold in which the top and bottom sheets are held together by a silk-like interdigitation of short side chains. RiAFP is perhaps the most regular structure yet observed. It is a second independently evolved AFP type in beetles. The two beetle AFPs have in common an extremely flat ice-binding surface comprising regular outward-projecting parallel arrays of threonine residues. The more active, wider RiAFP has four (rather than two) of these arrays between which the crystal structure shows the presence of ice-like waters. Molecular dynamics simulations independently reproduce the locations of these ordered crystallographic waters and predict additional waters that together provide an extensive view of the AFP interaction with ice. By matching several planes of hexagonal ice, these waters may help freeze the AFP to the ice surface, thus providing the molecular basis of ice binding. PMID:23486477

  6. Structural transformation in supercooled water controls the crystallization rate of ice.

    PubMed

    Moore, Emily B; Molinero, Valeria

    2011-11-24

    One of water's unsolved puzzles is the question of what determines the lowest temperature to which it can be cooled before freezing to ice. The supercooled liquid has been probed experimentally to near the homogeneous nucleation temperature, T(H) ? 232 K, yet the mechanism of ice crystallization-including the size and structure of critical nuclei-has not yet been resolved. The heat capacity and compressibility of liquid water anomalously increase on moving into the supercooled region, according to power laws that would diverge (that is, approach infinity) at ~225 K (refs 1, 2), so there may be a link between water's thermodynamic anomalies and the crystallization rate of ice. But probing this link is challenging because fast crystallization prevents experimental studies of the liquid below T(H). And although atomistic studies have captured water crystallization, high computational costs have so far prevented an assessment of the rates and mechanism involved. Here we report coarse-grained molecular simulations with the mW water model in the supercooled regime around T(H) which reveal that a sharp increase in the fraction of four-coordinated molecules in supercooled liquid water explains its anomalous thermodynamics and also controls the rate and mechanisms of ice formation. The results of the simulations and classical nucleation theory using experimental data suggest that the crystallization rate of water reaches a maximum around 225 K, below which ice nuclei form faster than liquid water can equilibrate. This implies a lower limit of metastability of liquid water just below T(H) and well above its glass transition temperature, 136 K. By establishing a relationship between the structural transformation in liquid water and its anomalous thermodynamics and crystallization rate, our findings also provide mechanistic insight into the observed dependence of homogeneous ice nucleation rates on the thermodynamics of water. PMID:22113691

  7. Viewing Ice Crystals Using Polarized Light.

    ERIC Educational Resources Information Center

    Kinsman, E. M.

    1992-01-01

    Describes a method for identifying and examining single ice crystals by photographing a thin sheet of ice placed between two inexpensive polarizing filters. Suggests various natural and prepared sources for ice that promote students' insight into crystal structures, and yield colorful optical displays. Includes directions, precautions, and sample

  8. Bacterial Ice Crystal Controlling Proteins

    PubMed Central

    Lorv, Janet S. H.; Rose, David R.; Glick, Bernard R.

    2014-01-01

    Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions. PMID:24579057

  9. Ice crystals growing on K-feldspar (microcline) have preferential orientation dictated by feldspar lattice structure

    NASA Astrophysics Data System (ADS)

    Kiselev, A. A.; Bachmann, F.; Pedevilla, P.; Cox, S.; Michaelides, A.

    2014-12-01

    Recently, we have conducted experiments on deposition nucleation and growth of ice on freshly cleaved natural K-feldspar (microcline) crystals exposed to water vapor in the Environmental Scanning Electron Microscope (ESEM, FEI Quanta 650 FEG). Independently adjusting the partial water vapor pressure in the sample chamber and the temperature of the substrate mounted on top of the double-stage Peltier element, deposition ice nucleation, growth, and sublimation can be studied within the temperature range from -5C to -60C. By using small crystal size and tilted geometry we have been able to record the video sequences of ice nucleation taking place on both 001 and 010 crystallographic planes simultaneously. Here, we report the following general features of ice nucleation and growth observed in these experiments: Nucleation of ice always starts before the water saturation is reached. Ice was preferentially nucleating on surface defects (steps, cracks, and pits) or on the debris particles scattered over the surface of feldspar crystal. Ice crystals grown via deposition at temperatures above -30C on any of the feldspar crystal faces have shown the same directional and rotational orientation, with c-axis of ice aligned with the c-axis of microcline unit cell. Below -35C no preferential orientation has been observed whatsoever. The majority of observed ice crystals exhibit the evaporation groove at the waist of hexagonal prism, indicting the presence of lattice dislocations in the crystal nucleation plane. We discuss a possible mechanism of crystal lattice alignment by considering layer of ordered water on the surface of feldspar crystal forming prior to ice nucleation. Using density functional theory we show how the mineral surface interacts with water, particularly addressing the interaction of surface cations and hydroxyl groups with a water overlayer. We argue that the misalignment of the 001 lattice planes for microcline and ice (inherently following from the alignment of their c-axis) should favor the stacking disorder of ice lattice in the nucleation plane, the feature we observe as an "evaporation groove" in the majority of the aligned ice crystals. Finally, we discuss the implications of the observed phenomenon for the understanding of ice nucleation mechanism on the atmospheric mineral dust particles.

  10. Ice crystal ingestion by turbofans

    NASA Astrophysics Data System (ADS)

    Rios Pabon, Manuel A.

    This Thesis will present the problem of inflight icing in general and inflight icing caused by the ingestion of high altitude ice crystals produced by high energy mesoscale convective complexes in particular, and propose a new device to prevent it based on dielectric barrier discharge plasma. Inflight icing is known to be the cause of 583 air accidents and more than 800 deaths in more than a decade. The new ice crystal ingestion problem has caused more than 100 flights to lose engine power since the 1990's, and the NTSB identified it as one of the causes of the Air France flight 447 accident in 1-Jun2008. The mechanics of inflight icing not caused by ice crystals are well established. Aircraft surfaces exposed to supercooled liquid water droplets will accrete ice in direct proportion of the droplet catch and the freezing heat transfer process. The multiphase flow droplet catch is predicted by the simple sum of forces on each spherical droplet and a droplet trajectory calculation based on Lagrangian or Eulerian analysis. The most widely used freezing heat transfer model for inflight icing caused by supercooled droplets was established by Messinger. Several computer programs implement these analytical models to predict inflight icing, with LEWICE being based on Lagrangian analysis and FENSAP being based on Eulerian analysis as the best representatives among them. This Thesis presents the multiphase fluid mechanics particular to ice crystals, and explains how it differs from the established droplet multiphase flow, and the obstacles in implementing the former in computational analysis. A new modification of the Messinger thermal model is proposed to account for ice accretion produced by ice crystal impingement. Because there exist no computational and experimental ways to fully replicate ice crystal inflight icing, and because existing ice protections systems consume vast amounts of energy, a new ice protection device based on dielectric barrier discharge plasma is proposed and built in this Thesis, called DBDAIS, with a complete description of the anti-ice cycle. Contrary to existing ice protection systems, which either heat the aircraft surfaces, or mechanically remove the accreted ice, the DBDAIS employs non-thermal plasma discharges to prevent ice accretion. A new apparatus that mimics inflight icing based on combining the liquid sprays of liquid nitrogen and water was designed and fabricated, named LNITA. The apparatus produces ice similar to glaze ice and rime ice, the two characteristic types of ice from inflight icing, at the cost of 1% of similar tests in icing wind tunnels. Nineteen experiments of the DBDAIS were performed in the LNITA. The results from the experiments point to 32 kV and 4 kHz being adequate to prevent ice accretion, with a power consumption of 1 W/cm2. This compares favorably to existing ice protection systems, which typically run at 10 W/cm2, and to the power consumption of a typical electric stove burner at maximum power, which is 5 W/cm2. To complete this Thesis, a design and development project is proposed to implement the DBDAIS in Unmanned Aircraft Systems (UAS), with the selection of standard FAA inflight icing conditions, the run of 240 LEWICE simulations, and an analysis of the run results. The computational results lead to the design of a wing boot covering the airfoil from 20% of the lower pressure surface to 4% of the upper suction surface as the optimal protection for a UAS.

  11. Effects of Ice-Crystal Structure on Halo Formation: Cirrus Cloud Experimental and Ray-Tracing Modeling Studies

    NASA Technical Reports Server (NTRS)

    Sassen, Kenneth; Knight, Nancy C.; Takano, Yoshihide; Heymsfield, Andrew J.

    1994-01-01

    During the 1986 Project FIRE (First International Satellite Cloud Climatology Project Regional Experiment) field campaign, four 22 deg halo-producing cirrus clouds were studied jointly from a ground-based polarization lidar and an instrumented aircraft. The lidar data show the vertical cloud structure and the relative position of the aircraft, which collected a total of 84 slides by impaction, preserving the ice crystals for later microscopic examination. Although many particles were too fragile to survive impaction intact, a large fraction of the identifiable crystals were columns and radial bullet rosettes, with both displaying internal cavitations and radial plate-column combinations. Particles that were solid or displayed only a slight amount of internal structure were relatively rare, which shows that the usual model postulated by halo theorists, i.e., the randomly oriented, solid hexagonal crystal, is inappropriate for typical cirrus clouds. With the aid of new ray-tracing simulations for hexagonal hollow-ended column and bullet-rosette models, we evaluate the effects of more realistic ice-crystal structures on halo formation and lidar depolarization and consider why the common halo is not more common in cirrus clouds.

  12. Possible Mechanisms for Turbofan Engine Ice Crystal Icing at High Altitude

    NASA Technical Reports Server (NTRS)

    Tsao, Jen-Ching; Struk, Peter M.; Oliver, Michael

    2014-01-01

    A thermodynamic model is presented to describe possible mechanisms of ice formation on unheated surfaces inside a turbofan engine compression system from fully glaciated ice crystal clouds often formed at high altitude near deep convective weather systems. It is shown from the analysis that generally there could be two distinct types of ice formation: (1) when the "surface freezing fraction" is in the range of 0 to 1, dominated by the freezing of water melt from fully or partially melted ice crystals, the ice structure is formed from accretion with strong adhesion to the surface, and (2) when the "surface melting fraction" is the range of 0 to 1, dominated by the further melting of ice crystals, the ice structure is formed from accumulation of un-melted ice crystals with relatively weak bonding to the surface. The model captures important qualitative trends of the fundamental ice-crystal icing phenomenon reported earlier1,2 from the research collaboration work by NASA and the National Research Council (NRC) of Canada. Further, preliminary analysis of test data from the 2013 full scale turbofan engine ice crystal icing test3 conducted in the NASA Glenn Propulsion Systems Laboratory (PSL) has also suggested that (1) both types of ice formation occurred during the test, and (2) the model has captured some important qualitative trend of turning on (or off) the ice crystal ice formation process in the tested engine low pressure compressor (LPC) targeted area under different icing conditions that ultimately would lead to (or suppress) an engine core roll back (RB) event.

  13. Modeling Commercial Turbofan Engine Icing Risk With Ice Crystal Ingestion

    NASA Technical Reports Server (NTRS)

    Jorgenson, Philip C. E.; Veres, Joseph P.

    2013-01-01

    The occurrence of ice accretion within commercial high bypass aircraft turbine engines has been reported under certain atmospheric conditions. Engine anomalies have taken place at high altitudes that have been attributed to ice crystal ingestion, partially melting, and ice accretion on the compression system components. The result was degraded engine performance, and one or more of the following: loss of thrust control (roll back), compressor surge or stall, and flameout of the combustor. As ice crystals are ingested into the fan and low pressure compression system, the increase in air temperature causes a portion of the ice crystals to melt. It is hypothesized that this allows the ice-water mixture to cover the metal surfaces of the compressor stationary components which leads to ice accretion through evaporative cooling. Ice accretion causes a blockage which subsequently results in the deterioration in performance of the compressor and engine. The focus of this research is to apply an engine icing computational tool to simulate the flow through a turbofan engine and assess the risk of ice accretion. The tool is comprised of an engine system thermodynamic cycle code, a compressor flow analysis code, and an ice particle melt code that has the capability of determining the rate of sublimation, melting, and evaporation through the compressor flow path, without modeling the actual ice accretion. A commercial turbofan engine which has previously experienced icing events during operation in a high altitude ice crystal environment has been tested in the Propulsion Systems Laboratory (PSL) altitude test facility at NASA Glenn Research Center. The PSL has the capability to produce a continuous ice cloud which are ingested by the engine during operation over a range of altitude conditions. The PSL test results confirmed that there was ice accretion in the engine due to ice crystal ingestion, at the same simulated altitude operating conditions as experienced previously in flight. The computational tool was utilized to help guide a portion of the PSL testing, and was used to predict ice accretion could also occur at significantly lower altitudes. The predictions were qualitatively verified by subsequent testing of the engine in the PSL. The PSL test has helped to calibrate the engine icing computational tool to assess the risk of ice accretion. The results from the computer simulation identified prevalent trends in wet bulb temperature, ice particle melt ratio, and engine inlet temperature as a function of altitude for predicting engine icing risk due to ice crystal ingestion.

  14. An Overview of NASA Engine Ice-Crystal Icing Research

    NASA Technical Reports Server (NTRS)

    Addy, Harold E., Jr.; Veres, Joseph P.

    2011-01-01

    Ice accretions that have formed inside gas turbine engines as a result of flight in clouds of high concentrations of ice crystals in the atmosphere have recently been identified as an aviation safety hazard. NASA s Aviation Safety Program (AvSP) has made plans to conduct research in this area to address the hazard. This paper gives an overview of NASA s engine ice-crystal icing research project plans. Included are the rationale, approach, and details of various aspects of NASA s research.

  15. Mixing of the immiscible: hydrocarbons in water-ice near the ice crystallization temperature.

    PubMed

    Lignell, Antti; Gudipati, Murthy S

    2015-03-19

    Structural changes in hydrocarbon-doped water-ice during amorphous to crystalline phase conversion are investigated using polycyclic aromatic hydrocarbons (PAHs) as probes. We show that aggregation of impurity molecules occurs due to the amorphous-crystalline transition in ice, especially when they are hydrophobic molecules such as PAHs. Using ultraviolet-visible (UV-vis), Fourier-transform Infrared (FTIR), and laser-induced-fluorescence (LIF) spectroscopic techniques, we show that, although ice infrared absorption features change from a broad structureless band corresponding to amorphous ice to a sharp structured crystalline ice bands, simultaneously, sharper isolated PAH UV absorption features measured in the amorphous ice host turn broad upon ice crystallization. A simultaneous decrease in the monomer fluorescence and increase in the excimer emission band is observed, a clear indication for the formation of PAH molecular aggregates when amorphous ice is converted to crystalline ice at higher temperatures. Similar to the irreversible amorphous-crystalline phase transitions, the UV, fluorescence, and excimer emissions indicate that PAHs undergo irreversible aggregation. Our studies suggest that organic impurities exist as aggregates rather than monomers trapped in crystalline water-ice when cycled through temperatures that convert amorphous ice to crystalline ice, rendering a better insight into phenomena such as the formation of cometary crust. This aggregate formation also may significantly change the secondary reaction pathways and rates in impurity-doped ices in the lab, on Earth, in the solar system, and in the interstellar medium. PMID:25302532

  16. Ice interaction with offshore structures

    SciTech Connect

    Cammaert, A.B.; Muggeridge, D.B.

    1988-01-01

    Oil platforms and other offshore structures being built in the arctic regions must be able to withstand icebergs, ice islands, and pack ice. This reference explain the effect ice has on offshore structures and demonstrates design and construction methods that allow such structures to survive in harsh, ice-ridden environments. It analyzes the characteristics of sea ice as well as dynamic ice forces on structures. Techniques for ice modeling and field testing facilitate the design and construction of sturdy, offshore constructions. Computer programs included.

  17. Retardation of ice crystallization by short peptides

    NASA Astrophysics Data System (ADS)

    Kim, Jun Soo; Yethiraj, Arun

    2009-03-01

    The effect of short peptides on the growth of ice crystals is studied using molecular dynamics simulations. The simulations focus on two sequences (Gly-Pro-Ala-Gly and Gly-Gly-Ala-Gly) that are found in collagen hydrolysate, a substance that is known to retard crystal growth. In the absence of peptides, the growth of ice crystal in the solution with the ice/water interface is observed in at a rate comparable to the experimental data. When peptides are present in the liquid phase, the crystal growth is retarded to a significant extent compared to the pure water. It is found that Gly-Pro-Ala-Gly is more effective (crystallization is up to 5 times slower than in its absence) than Gly-Gly-Ala-Gly (up to 3 times slower) implying that the role of the proline residue is important. The mechanism can be understood in the nature of binding of the peptides to the growing crystal.

  18. Ice supersaturations and cirrus cloud crystal numbers

    NASA Astrophysics Data System (ADS)

    Krmer, M.; Schiller, C.; Afchine, A.; Bauer, R.; Gensch, I.; Mangold, A.; Schlicht, S.; Spelten, N.; Sitnikov, N.; Borrmann, S.; de Reus, M.; Spichtinger, P.

    2009-06-01

    Upper tropospheric observations outside and inside of cirrus clouds indicate water vapour mixing ratios sometimes exceeding water saturation. Relative humidities over ice (RHice) of up to and more than 200% have been reported from aircraft and balloon measurements in recent years. From these observations a lively discussion continues on whether there is a lack of understanding of ice cloud microphysics or whether the water measurements are tainted with large uncertainties or flaws. Here, RHice in clear air and in ice clouds is investigated. Strict quality-checked aircraft in situ observations of RHice were performed during 28 flights in tropical, mid-latitude and Arctic field experiments in the temperature range 183-240 K. In our field measurements, no supersaturations above water saturation are found. Nevertheless, super- or subsaturations inside of cirrus are frequently observed at low temperatures (<205 K) in our field data set. To explain persistent RHice deviating from saturation, we analysed the number densities of ice crystals recorded during 20 flights. From the combined analysis - using conventional microphysics - of supersaturations and ice crystal numbers, we show that the high, persistent supersaturations observed inside of cirrus can possibly be explained by unexpected, frequent very low ice crystal numbers that could scarcely be caused by homogeneous ice nucleation. Heterogeneous ice formation or the suppression of freezing might better explain the observed ice crystal numbers. Thus, our lack of understanding of the high supersaturations, with implications for the microphysical and radiative properties of cirrus, the vertical redistribution of water and climate, is traced back to the understanding of the freezing process at low temperatures.

  19. Aggregation of ice crystals in cirrus

    NASA Technical Reports Server (NTRS)

    Kajikawa, Masahiro; Heymsfield, Andrew J.

    1989-01-01

    Results are given from analysis of the aggregation of thick plate, columnar, and bullet rosette ice crystals in cirrus. Data were obtained from PMS 2D-C images, oil coated slides, and aircraft meteorological measurements. Crystal size ranged from 100 to 900 microns in temperatures from -30 to -45 C. The results indicate that the ratio of the sizes of aggregating crystals and the difference of their terminal velocities are important in aggregation. The collection efficiency was calculated for the thick plate crystals from the same data.

  20. Crystallization of CO2 ice and the absence of amorphous CO2 ice in space.

    PubMed

    Escribano, Rafael M; Muoz Caro, Guillermo M; Cruz-Diaz, Gustavo A; Rodrguez-Lazcano, Yamilet; Mat, Beln

    2013-08-01

    Carbon dioxide (CO2) is one of the most relevant and abundant species in astrophysical and atmospheric media. In particular, CO2 ice is present in several solar system bodies, as well as in interstellar and circumstellar ice mantles. The amount of CO2 in ice mantles and the presence of pure CO2 ice are significant indicators of the temperature history of dust in protostars. It is therefore important to know if CO2 is mixed with other molecules in the ice matrix or segregated and whether it is present in an amorphous or crystalline form. We apply a multidisciplinary approach involving IR spectroscopy in the laboratory, theoretical modeling of solid structures, and comparison with astronomical observations. We generate an unprecedented highly amorphous CO2 ice and study its crystallization both by thermal annealing and by slow accumulation of monolayers from the gas phase under an ultrahigh vacuum. Structural changes are followed by IR spectroscopy. We also devise theoretical models to reproduce different CO2 ice structures. We detect a preferential in-plane orientation of some vibrational modes of crystalline CO2. We identify the IR features of amorphous CO2 ice, and, in particular, we provide a theoretical explanation for a band at 2,328 cm(-1) that dominates the spectrum of the amorphous phase and disappears when the crystallization is complete. Our results allow us to rule out the presence of pure and amorphous CO2 ice in space based on the observations available so far, supporting our current view of the evolution of CO2 ice. PMID:23858474

  1. Fundamental Ice Crystal Accretion Physics Studies

    NASA Technical Reports Server (NTRS)

    Struk, Peter M.; Broeren, Andy P.; Tsao, Jen-Ching; Vargas, Mario; Wright, William B.; Currie, Tom; Knezevici, Danny; Fuleki, Dan

    2012-01-01

    Due to numerous engine power-loss events associated with high-altitude convective weather, ice accretion within an engine due to ice crystal ingestion is being investigated. The National Aeronautics and Space Administration (NASA) and the National Research Council (NRC) of Canada are starting to examine the physical mechanisms of ice accretion on surfaces exposed to ice-crystal and mixed-phase conditions. In November 2010, two weeks of testing occurred at the NRC Research Altitude Facility utilizing a single wedge-type airfoil designed to facilitate fundamental studies while retaining critical features of a compressor stator blade or guide vane. The airfoil was placed in the NRC cascade wind tunnel for both aerodynamic and icing tests. Aerodynamic testing showed excellent agreement compared with CFD data on the icing pressure surface and allowed calculation of heat transfer coefficients at various airfoil locations. Icing tests were performed at Mach numbers of 0.2 to 0.3, total pressures from 93 to 45 kPa, and total temperatures from 5 to 15 C. Ice and liquid water contents ranged up to 20 and 3 g/m3, respectively. The ice appeared well adhered to the surface in the lowest pressure tests (45 kPa) and, in a particular case, showed continuous leading-edge ice growth to a thickness greater than 15 mm in 3 min. Such widespread deposits were not observed in the highest pressure tests, where the accretions were limited to a small area around the leading edge. The suction surface was typically ice-free in the tests at high pressure, but not at low pressure. The icing behavior at high and low pressure appeared to be correlated with the wet-bulb temperature, which was estimated to be above 0 C in tests at 93 kPa and below 0 C in tests at lower pressure, the latter enhanced by more evaporative cooling of water. The authors believe that the large ice accretions observed in the low pressure tests would undoubtedly cause the aerodynamic performance of a compressor component such as a stator blade to degrade significantly, and could damage downstream components if shed.

  2. Fundamental Ice Crystal Accretion Physics Studies

    NASA Technical Reports Server (NTRS)

    Currie, Tom; Knezevici, Danny; Fuleki, Dan; Struk, Peter M.; Broeren, Andy P.; Tsao, Jen-ching; Vargas, Mario; Wright, William

    2011-01-01

    Due to numerous engine power-loss events associated with high-altitude convective weather, ice accretion within an engine due to ice-crystal ingestion is being investigated. The National Aeronautics and Space Administration (NASA) and the National Research Council (NRC) of Canada are starting to examine the physical mechanisms of ice accretion on surfaces exposed to ice-crystal and mixed-phase conditions. In November 2010, two weeks of testing occurred at the NRC Research Altitude Facility utilizing a single wedge-type airfoil designed to facilitate fundamental studies while retaining critical features of a compressor stator blade or guide vane. The airfoil was placed in the NRC cascade wind tunnel for both aerodynamic and icing tests. Aerodynamic testing showed excellent agreement compared with CFD data on the icing pressure surface and allowed calculation of heat transfer coefficients at various airfoil locations. Icing tests were performed at Mach numbers of 0.2 to 0.3, total pressures from 93 to 45 kPa, and total temperatures from 5 to 15 C. Ice and liquid water contents ranged up to 20 and 3 grams per cubic meter, respectively. The ice appeared well adhered to the surface in the lowest pressure tests (45 kPa) and, in a particular case, showed continuous leading-edge ice growth to a thickness greater than 15 millimeters in 3 minutes. Such widespread deposits were not observed in the highest pressure tests, where the accretions were limited to a small area around the leading edge. The suction surface was typically ice-free in the tests at high pressure, but not at low pressure. The icing behavior at high and low pressure appeared to be correlated with the wet-bulb temperature, which was estimated to be above 0 C in tests at 93 kPa and below 0 C in tests at lower pressure, the latter enhanced by more evaporative cooling of water. The authors believe that the large ice accretions observed in the low pressure tests would undoubtedly cause the aerodynamic performance of a compressor component such as a stator blade to degrade significantly, and could damage downstream components if shed.

  3. Crystallization of amorphous water ice in the solar system

    NASA Technical Reports Server (NTRS)

    Jenniskens, P.; Blake, D. F.

    1996-01-01

    Electron diffraction studies of vapor-deposited water ice have characterized the dynamical structural changes during crystallization that affect volatile retention in cometary materials. Crystallization is found to occur by nucleation of small domains, while leaving a significant part of the amorphous material in a slightly more relaxed amorphous state that coexists metastably with cubic crystalline ice. The onset of the amorphous relaxation is prior to crystallization and coincides with the glass transition. Above the glass transition temperature, the crystallization kinetics are consistent with the amorphous solid becoming a "strong" viscous liquid. The amorphous component can effectively retain volatiles during crystallization if the volatile concentration is approximately 10% or less. For higher initial impurity concentrations, a significant amount of impurities is released during crystallization, probably because the impurities are trapped on the surfaces of micropores. A model for crystallization over long timescales is described that can be applied to a wide range of impure water ices under typical astrophysical conditions if the fragility factor D, which describes the viscosity behavior, can be estimated.

  4. Mesoscopic surface roughness of ice crystals pervasive across a wide range of ice crystal conditions

    NASA Astrophysics Data System (ADS)

    Magee, N. B.; Miller, A.; Amaral, M.; Cumiskey, A.

    2014-11-01

    Here we show high-magnification images of hexagonal ice crystals acquired by environmental scanning electron microscopy (ESEM). Most ice crystals were grown and sublimated in the water vapor environment of an FEI-Quanta-200 ESEM, but crystals grown in a laboratory diffusion chamber were also transferred intact and imaged via ESEM. All of these images display prominent mesoscopic topography including linear striations, ridges, islands, steps, peaks, pits, and crevasses; the roughness is not observed to be confined to prism facets. The observations represent the most highly magnified images of ice surfaces yet reported and expand the range of conditions in which rough surface features are known to be conspicuous. Microscale surface topography is seen to be ubiquitously present at temperatures ranging from -10 C to -40 C, in supersaturated and subsaturated conditions, on all crystal facets, and irrespective of substrate. Despite the constant presence of surface roughness, the patterns of roughness are observed to be dramatically different between growing and sublimating crystals, and transferred crystals also display qualitatively different patterns of roughness. Crystals are also demonstrated to sometimes exhibit inhibited growth in moderately supersaturated conditions following exposure to near-equilibrium conditions, a phenomenon interpreted as evidence of 2-D nucleation. New knowledge about the characteristics of these features could affect the fundamental understanding of ice surfaces and their physical parameterization in the context of satellite retrievals and cloud modeling. Links to supplemental videos of ice growth and sublimation are provided.

  5. Mesoscopic surface roughness of ice crystals pervasive across a wide range of ice crystal conditions

    NASA Astrophysics Data System (ADS)

    Magee, N. B.; Miller, A.; Amaral, M.; Cumiskey, A.

    2014-03-01

    Here we show high-magnification images of hexagonal ice crystals acquired by Environmental Scanning Electron Microscopy (ESEM). Most ice crystals were grown and sublimated in the water vapor environment of an FEI-Quanta-200 ESEM, but crystals grown in a laboratory diffusion chamber were also transferred intact and imaged via ESEM. All of these images display prominent mesoscopic topography including linear striations, ridges, islands, steps, peaks, pits, and crevasses; the roughness is not observed to be confined to prism facets. The observations represent the most highly magnified images of ice surfaces yet reported and expand the range of conditions where the rough surface features are known to be conspicuous. Microscale surface topography is seen to be ubiquitously present at temperatures ranging from -10 C to -40 C, at super-saturated and sub-saturated conditions, on all crystal facets, and irrespective of substrate. Despite the constant presence of surface roughness, the patterns of roughness are observed to be dramatically different between growing and sublimating crystals, and transferred crystals also display qualitatively different patterns of roughness. Crystals are also demonstrated to sometimes exhibit inhibited growth in moderately supersaturated conditions following exposure to near-equilibrium conditions, a phenomena interpreted as evidence of 2-D nucleation. New knowledge of the characteristics of these features could affect the fundamental understanding of ice surfaces and their physical parameterization in the context of satellite retrievals and cloud modeling. Links to Supplement videos of ice growth and sublimation are provided.

  6. Parameterization of the scattering and absorption properties of individual ice crystals

    SciTech Connect

    Yang, Ping; Liou, K. N.; Wyser, Klaus; Mitchell, David

    2000-02-27

    We present parameterizations of the single-scattering properties for individual ice crystals of various habits based on the results computed from the accurate light scattering calculations. The projected area, volume, and single-scattering properties of ice crystals with various shapes and sizes are computed for 56 narrow spectral bands covering 0.2-5 {mu}m. The ice crystal habits considered in this study are hexagonal plates, solid and hollow columns, planar and spatial bullet rosette, and aggregates that are commonly observed in cirrus clouds. Using the observational relationships between the aspect ratios and the sizes of ice crystals, we can define the three-dimensional structure of these ice crystal habits with respect to their maximum dimensions for light scattering calculations. The volume and projected area of ice crystals, expressed in terms of the diameters of the corresponding equivalent spheres, are first parameterized by employing the ice crystal maximum dimensions. Further, various analytical expressions as functions of the effective dimensions of ice crystals have been developed to parameterize the extinction and absorption efficiencies, asymmetry factor, and the truncation of the forward peak energy in the phase function. The present parameterization scheme provides an efficient approach to obtain the basic scattering and absorption properties of nonspherical ice crystals. (c) 2000 American Geophysical Union.

  7. Dendritic Growth Velocity of Ice Crystals

    NASA Technical Reports Server (NTRS)

    Ohsaka, K.; Trinh, E. H.

    1997-01-01

    The dendritic growth velocity of ice crystals is measured at undercooling levels between 5-8.5 K using a unique apparatus. The result shows that the measured velocities are smaller that the theoretical prediction based on the thermal diffusion theory with the scalling constant, Q= 0.025, which has been shown to agree with the experimental results at lower undercooling levels between 0.4 -2.5 K.

  8. Extracellular macromolecules in sea-ice: Effects on sea-ice structure and their implications

    NASA Astrophysics Data System (ADS)

    Ewert, M.; Bayer-Giraldi, M.

    2012-04-01

    Brine inclusions within sea-ice offer a favorable environment for certain marine microorganisms which live and thrive within the ice. These assemblages are a crucial element in the polar ecosystem. Partly entrained by ice platelets into the ice sheet, microorganisms closely interact with the liquid and solid phases of this porous environment (brine and ice), likely influencing their properties. Extracellular polysaccharide substances (EPS) and antifreeze proteins (AFP) have been identified as major elements with the potential to affect ice structure and processes, due to their capability to interact with ice crystals (selected planes in the case of AFPs) and with water molecules and salt ions present in the brine. EPS present in sea water can be selectively retained in the ice during ice formation, with implications for ice structure. Likewise, EPS and AFP released by sea-ice organisms would have a local effect, altering the microenvironment for the benefit of the organism. Macroscopic and microscopic observations showed effects on ice microstructure and a possible increase in brine fraction within the ice caused by AFPs and EPS, implicating changes in ice porosity and permeability. In the following we describe some of the interactions between sea-ice macromolecules, EPS and AFP, and the sea-ice system. We show their influence in ice structure, and discuss probable implications and consequences for microbial survival, distribution of dissolved material between sea-ice and the water column, and possible effects on the seasonal evolution of the ice. All of these could be relevant to the understanding of biogeochemical processes and the limits of habitability, as well as suggest possible applications of these substances.

  9. Volume of Ice Crystal Growing in Supercooled Water

    NASA Astrophysics Data System (ADS)

    Teraoka, Yoshikazu; Saito, Akio; Okawa, Seiji

    Recently, dynamic type of ice storage system has been high lightened, since it gives a solution to the problem of peak electrical load. The deferent types of the method of ice making produce the different types of ice, and the selection of the type of ice influence the coefficient of performance of ice storage system. Hence studying the shape of ice and its behavior such as stickiness are important. The shape of ice crystal depends on various factors such as concentration of solution, temperature, convection, time and so on. There are various types of ice exists, such as frazil ice, dendrite, needle ice, solid ice, slurry ice. However, there is no report measuring the volume of the crystal, yet, because the shape of the crystal is too complicated to measure. In this report, pure water was used and single crystal ice was formed in supercooled water. The shape of the crystal was measured in three-dimensions using Mach-Zehnder spectro-interferometer. Volume of the crystal was measured. It was found that the volume depends upon time and the degree of supercooling, and experimental equation was derived. Furthermore, projected area normal to c-axis was measured. It was found that the area depends not only on time but also the degree of supercooling.

  10. Inhibition of ice crystal growth in ice cream mix by gelatin hydrolysate.

    PubMed

    Damodaran, Srinivasan

    2007-12-26

    The inhibition of ice crystal growth in ice cream mix by gelatin hydrolysate produced by papain action was studied. The ice crystal growth was monitored by thermal cycling between -14 and -12 degrees C at a rate of one cycle per 3 min. It is shown that the hydrolysate fraction containing peptides in the molecular weight range of about 2000-5000 Da exhibited the highest inhibitory activity on ice crystal growth in ice cream mix, whereas fractions containing peptides greater than 7000 Da did not inhibit ice crystal growth. The size distribution of gelatin peptides formed in the hydrolysate was influenced by the pH of hydrolysis. The optimum hydrolysis conditions for producing peptides with maximum ice crystal growth inhibitory activity was pH 7 at 37 degrees C for 10 min at a papain to gelatin ratio of 1:100. However, this may depend on the type and source of gelatin. The possible mechanism of ice crystal growth inhibition by peptides from gelatin is discussed. Molecular modeling of model gelatin peptides revealed that they form an oxygen triad plane at the C-terminus with oxygen-oxygen distances similar to those found in ice nuclei. Binding of this oxygen triad plane to the prism face of ice nuclei via hydrogen bonding appears to be the mechanism by which gelatin hydrolysate might be inhibiting ice crystal growth in ice cream mix. PMID:18044830

  11. Crystal structure and prediction.

    PubMed

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape. PMID:25422850

  12. Factors Affecting the Changes of Ice Crystal Form in Ice Cream

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Watanabe, Manabu; Suzuki, Toru

    In this study, the shape of ice crystals in ice cream was quantitatively evaluated by introducing fractal analysis. A small droplet of commercial ice cream mix was quickly cooled to about -30C on the cold stage of microscope. Subsequently, it was heated to -5C or -10C and then held for various holding time. Based on the captured images at each holding time, the cross-sectional area and the length of circumference for each ice crystal were measured to calculate fractal dimension using image analysis software. The results showed that the ice crystals were categorized into two groups, e.g. simple-shape and complicated-shape, according to their fractal dimensions. The fractal dimension of ice crystals became lower with increasing holding time and holding temperature. It was also indicated that the growing rate of complicated-shape ice crystals was relatively higher because of aggregation.

  13. Free energy contributions and structural characterization of stacking disordered ices.

    PubMed

    Hudait, Arpa; Qiu, Siwei; Lupi, Laura; Molinero, Valeria

    2016-04-14

    Crystallization of ice from deeply supercooled water and amorphous ices - a process of fundamental importance in the atmosphere, interstellar space, and cryobiology - results in stacking disordered ices with a wide range of metastabilities with respect to hexagonal ice. The structural origin of this high variability, however, has not yet been elucidated. Here we use molecular dynamics simulations with the mW water model to characterize the structure of ice freshly grown from supercooled water at temperatures from 210 to 270 K, the thermodynamics of stacking faults, line defects, and interfaces, and to elucidate the interplay between kinetics and thermodynamics in determining the structure of ice. In agreement with experiments, the ice grown in the simulations is stacking disordered with a random distribution of cubic and hexagonal layers, and a cubicity that decreases with growth temperature. The former implies that the cubicity of ice is determined by processes at the ice/liquid interface, without memory of the structure of buried ice layers. The latter indicates that the probability of building a cubic layer at the interface decreases upon approaching the melting point of ice, which we attribute to a more efficient structural equilibration of ice at the liquid interface as the driving force for growth wanes. The free energy cost for creating a pair of cubic layers in ice is 8.0 J mol(-1) in experiments, and 9.7 ± 1.9 J mol(-1) for the mW water model. This not only validates the simulations, but also indicates that dispersion in cubicity is not sufficient to explain the large energetic variability of stacking disordered ices. We compute the free energy cost of stacking disorder, line defects, and interfaces in ice and conclude that a characterization of the density of these defects is required to predict the degree of metastability and vapor pressure of atmospheric ices. PMID:26983558

  14. Ice structuring proteins - a new name for antifreeze proteins.

    PubMed

    Clarke, Chris J; Buckley, Sarah L; Lindner, Nigel

    2002-01-01

    Antifreeze proteins (AFPs) have been reported in the academic literature for many years, and are increasingly arousing interest in the technical and popular media, particularly because of their potential applications. However, the term "antifreeze" does not always accurately describe their natural function, or their application in frozen systems, where they do not prevent freezing, but control the size, shape and aggregation of ice crystals. We survey the properties and applications of AFPs and propose a more generally applicable name based on the fact that all AFPs bind to ice and consequently influence crystal growth and interactions: "Ice Structuring Proteins". PMID:12050776

  15. Environmental Scanning Electron Microscopy of Ice Crystal Nucleation and Growth

    NASA Astrophysics Data System (ADS)

    Amaral, M.; Miller, A. L.; Magee, N. B.

    2012-12-01

    Ice crystal nucleation and growth are dual processes that can be studied uniquely through Environmental Scanning Electron Microscopy (ESEM). By utilizing differential pumping systems and a Peltier element to vary the vapor pressure and to achieve temperatures below the freezing point, respectively, it is possible to obtain supersaturated conditions relative to ice in the sample chamber of an Environmental Scanning Electron Microscope. Ice crystals were nucleated on a variety of atmospherically relevant substrates and grown in a pure water vapor environment in the chamber of a FEI-Quanta 200 ESEM. To initiate ice crystal nucleation, the Peltier element was set at a temperature between -10C and -25C, while the chamber water vapor pressure was adjusted to just below the frost point. Ice crystal nucleation and growth was then controlled by careful adjustments of chamber pressure and temperature, where high-magnification images of hexagonal ice crystals were acquired at nanoscale resolution. These images display prominent mesoscopic surface topography including linear strands, crevasses, islands, and steps. The surface features are seen to be ubiquitously present at all observed temperatures, at many supersaturated and subsaturated conditions, and on all crystal facets. Additionally, a pre-growth "shadow" resembling a dark spot sometimes appeared on areas of the sample stage immediately preceding ice crystal nucleation and growth. The observations represent the most highly magnified images of ice surfaces yet reported and significantly expand the range of ambient conditions where the features are conspicuous. New knowledge of the presence and characteristics of these features could transform the fundamental understanding of ice crystal growth kinetics and its physical parameterization in the context of atmospheric and cryospheric science. To the extent these observations are applicable to atmospheric ice, the results suggest that the radiative representation of ice and mixed-phase cloud properties in climate models could be markedly affected.

  16. Ice mechanics and risks to offshore structures

    SciTech Connect

    Sanderson, T.J.O.

    1988-01-01

    This volume brings together the results of all salient research development in ice engineering, from smaller scale to full size tests on ice strength and ice mechanics which is essential criteria for the design of safe, cost effective structures. Much of the data has been released from confidential industry files and thus allows, for the first time, a full appraisal of the subject. Contents include - Types and Distribution of Ice, Mechanical Properties, Measurements of Ice-Structure Interaction, and Analysis of Ice Failure and Design Ice Loads. This work is completed with a full literary review and subject index.

  17. Backscattering by hexagonal ice crystals of cirrus clouds.

    PubMed

    Borovoi, Anatoli; Konoshonkin, Alexander; Kustova, Natalia

    2013-08-01

    Light backscattering by randomly oriented hexagonal ice crystals of cirrus clouds is considered within the framework of the physical-optics approximation. The fine angular structure of all elements of the Mueller matrix in the vicinity of the exact backward direction is first calculated and discussed. In particular, an approximate equation for the differential scattering cross section is obtained. Its simple spectral dependence is discussed. Also, a hollow of the linear depolarization ratio around the exact backward direction inherent to the long hexagonal columns is revealed. PMID:23903169

  18. Validation Ice Crystal Icing Engine Test in the Propulsion Systems Laboratory at NASA Glenn Research Center

    NASA Technical Reports Server (NTRS)

    Oliver, Michael J.

    2014-01-01

    The Propulsion Systems Laboratory (PSL) is an existing altitude simulation jet engine test facility located at NASA Glenn Research Center in Clevleand, OH. It was modified in 2012 with the integration of an ice crystal cloud generation system. This paper documents the inaugural ice crystal cloud test in PSLthe first ever full scale, high altitude ice crystal cloud turbofan engine test to be conducted in a ground based facility. The test article was a Lycoming ALF502-R5 high bypass turbofan engine, serial number LF01. The objectives of the test were to validate the PSL ice crystal cloud calibration and engine testing methodologies by demonstrating the capability to calibrate and duplicate known flight test events that occurred on the same LF01 engine and to generate engine data to support fundamental and computational research to investigate and better understand the physics of ice crystal icing in a turbofan engine environment while duplicating known revenue service events and conducting test points while varying facility and engine parameters. During PSL calibration testing it was discovered than heated probes installed through tunnel sidewalls experienced ice buildup aft of their location due to ice crystals impinging upon them, melting and running back. Filtered city water was used in the cloud generation nozzle system to provide ice crystal nucleation sites. This resulted in mineralization forming on flow path hardware that led to a chronic degradation of performance during the month long test. Lacking internal flow path cameras, the response of thermocouples along the flow path was interpreted as ice building up. Using this interpretation, a strong correlation between total water content (TWC) and a weaker correlation between median volumetric diameter (MVD) of the ice crystal cloud and the rate of ice buildup along the instrumented flow path was identified. For this test article the engine anti-ice system was required to be turned on before ice crystal icing would occur. The ice crystal icing event, an uncommanded reduction in thrust, was able to be turned on and off by manipulating cloud TWC. A flight test point where no ice crystal icing event occurred was also duplicated in PSL. Physics based computational tools were successfully used to predict tunnel settings to induce ice buildup along the low pressure compression system flow path for several test points at incrementally lower altitudes, demonstrating that development of ice crystal icing scaling laws is potentially feasible. Analysis of PSL test data showed that uncommanded reduction in thrust occurs during ice crystal cloud on operation prior to fan speed reduction. This supports previous findings that the reduction of thrust for this test article is due to ice buildup leading to a restricted airflow from either physical or aerodynamic blockage in the engine core flow path.

  19. Validation Ice Crystal Icing Engine Test in the Propulsion Systems Laboratory at NASA Glenn Research Center

    NASA Technical Reports Server (NTRS)

    Oliver, Michael J.

    2014-01-01

    The Propulsion Systems Laboratory (PSL) is an existing altitude simulation jet engine test facility located at NASA Glenn Research Center in Cleveland, OH. It was modified in 2012 with the integration of an ice crystal cloud generation system. This paper documents the inaugural ice crystal cloud test in PSL--the first ever full scale, high altitude ice crystal cloud turbofan engine test to be conducted in a ground based facility. The test article was a Lycoming ALF502-R5 high bypass turbofan engine, serial number LF01. The objectives of the test were to validate the PSL ice crystal cloud calibration and engine testing methodologies by demonstrating the capability to calibrate and duplicate known flight test events that occurred on the same LF01 engine and to generate engine data to support fundamental and computational research to investigate and better understand the physics of ice crystal icing in a turbofan engine environment while duplicating known revenue service events and conducting test points while varying facility and engine parameters. During PSL calibration testing it was discovered than heated probes installed through tunnel sidewalls experienced ice buildup aft of their location due to ice crystals impinging upon them, melting and running back. Filtered city water was used in the cloud generation nozzle system to provide ice crystal nucleation sites. This resulted in mineralization forming on flow path hardware that led to a chronic degradation of performance during the month long test. Lacking internal flow path cameras, the response of thermocouples along the flow path was interpreted as ice building up. Using this interpretation, a strong correlation between total water content (TWC) and a weaker correlation between median volumetric diameter (MVD) of the ice crystal cloud and the rate of ice buildup along the instrumented flow path was identified. For this test article the engine anti-ice system was required to be turned on before ice crystal icing would occur. The ice crystal icing event, an uncommanded reduction in thrust, was able to be turned on and off by manipulating cloud TWC. A flight test point where no ice crystal icing event occurred was also duplicated in PSL. Physics based computational tools were successfully used to predict tunnel settings to induce ice buildup along the low pressure compression system flow path for several test points at incrementally lower altitudes, demonstrating that development of ice crystal icing scaling laws is potentially feasible. Analysis of PSL test data showed that uncommanded reduction in thrust occurs during ice crystal cloud on operation prior to fan speed reduction. This supports previous findings that the reduction of thrust for this test article is due to ice buildup leading to a restricted airflow from either physical or aerodynamic blockage in the engine core flow path.

  20. Ice-Crystal Fallstreaks from Supercooled Liquid Water Parent Clouds

    NASA Technical Reports Server (NTRS)

    Campbell, James R.; O'C. Starr, David; Welton, Ellsworth J.; Spinhirne, James D.; Ferrare, Richard A.

    2003-01-01

    On 31 December 2001, ice-crystal fallstreaks (e.g., cirrus uncinus, or colloquially "Mare's Tails") from supercooled liquid water parent clouds were observed by ground-based lidars pointed vertically from the Atmospheric Radiation Measurement Southern Great Plains (SGP) facility near Lamont, Oklahoma. The incidence of liquid phase cloud with apparent ice-phase precipitation is investigated. Scenarios for mixed-phase particle nucleation, and fallstreak formation and sustenance are discussed. The observations are unique in the context of the historical reverence given to the commonly observed c h s uncinus fallstreak (wholly ice) versus this seemingly contradictory coincidence of liquid water begetting ice-crystal streaks.

  1. Ice Crystal Icing Engine Testing in the NASA Glenn Research Center's Propulsion Systems Laboratory: Altitude Investigation

    NASA Technical Reports Server (NTRS)

    Oliver, Michael J.

    2014-01-01

    The National Aeronautics and Space Administration (NASA) conducted a full scale ice crystal icing turbofan engine test using an obsolete Allied Signal ALF502-R5 engine in the Propulsion Systems Laboratory (PSL) at NASA Glenn Research Center. The test article used was the exact engine that experienced a loss of power event after the ingestion of ice crystals while operating at high altitude during a 1997 Honeywell flight test campaign investigating the turbofan engine ice crystal icing phenomena. The test plan included test points conducted at the known flight test campaign field event pressure altitude and at various pressure altitudes ranging from low to high throughout the engine operating envelope. The test article experienced a loss of power event at each of the altitudes tested. For each pressure altitude test point conducted the ambient static temperature was predicted using a NASA engine icing risk computer model for the given ambient static pressure while maintaining the engine speed.

  2. Diagnosing the Ice Crystal Enhancement Factor in the Tropics

    NASA Technical Reports Server (NTRS)

    Zeng, Xiping; Tao, Wei-Kuo; Matsui, Toshihisa; Xie, Shaocheng; Lang, Stephen; Zhang, Minghua; Starr, David O'C; Li, Xiaowen; Simpson, Joanne

    2009-01-01

    Recent modeling studies have revealed that ice crystal number concentration is one of the dominant factors in the effect of clouds on radiation. Since the ice crystal enhancement factor and ice nuclei concentration determine the concentration, they are both important in quantifying the contribution of increased ice nuclei to global warming. In this study, long-term cloud-resolving model (CRM) simulations are compared with field observations to estimate the ice crystal enhancement factor in tropical and midlatitudinal clouds, respectively. It is found that the factor in tropical clouds is 10 3-104 times larger than that of mid-latitudinal ones, which makes physical sense because entrainment and detrainment in the Tropics are much stronger than in middle latitudes. The effect of entrainment/detrainment on the enhancement factor, especially in tropical clouds, suggests that cloud microphysical parameterizations should be coupled with subgrid turbulence parameterizations within CRMs to obtain a more accurate depiction of cloud-radiative forcing.

  3. Antifreeze glycopeptide adsorption on single crystal ice surfaces using ellipsometry

    PubMed Central

    Wilson, P. W.; Beaglehole, D.; DeVries, A. L.

    1993-01-01

    Antarctic fishes synthesise antifreeze proteins which can effectively inhibit the growth of ice crystals. The mechanism relies on adsorption of these proteins to the ice surface. Ellipsometry has been used to quantify glycopeptide antifreeze adsorption to the basal and prism faces of single ice crystals. The rate of accumulation was determined as a function of time and at concentrations between 0.0005 and 1.2 mg/ml. Estimates of packing density at saturation coverage have been made for the basal and prism faces. PMID:19431902

  4. Ice Crystal Growth Rates Under Upper Troposphere Conditions

    NASA Technical Reports Server (NTRS)

    Peterson, Harold S.; Bailey, Matthew; Hallett, John

    2010-01-01

    Atmospheric conditions for growth of ice crystals (temperature and ice supersaturation) are often not well constrained and it is necessary to simulate such conditions in the laboratory to investigate such growth under well controlled conditions over many hours. The growth of ice crystals from the vapour in both prism and basal planes was observed at temperatures of -60 C and -70 C under ice supersaturation up to 100% (200% relative humidity) at pressures derived from the standard atmosphere in a static diffusion chamber. Crystals grew outward from a vertical glass filament, thickening in the basal plane by addition of macroscopic layers greater than 2 m, leading to growth in the prism plane by passing of successive layers conveniently viewed by time lapse video.

  5. Forces Generated by High Velocity Impact of Ice on a Rigid Structure

    NASA Technical Reports Server (NTRS)

    Pereira, J. Michael; Padula, Santo A., II; Revilock, Duane M.; Melis, Matthew E.

    2006-01-01

    Tests were conducted to measure the impact forces generated by cylindrical ice projectiles striking a relatively rigid target. Two types of ice projectiles were used, solid clear ice and lower density fabricated ice. Three forms of solid clear ice were tested: single crystal, poly-crystal, and "rejected" poly-crystal (poly-crystal ice in which defects were detected during inspection.) The solid ice had a density of approximately 56 lb/cu ft (0.9 gm/cu cm). A second set of test specimens, termed "low density ice" was manufactured by molding shaved ice into a cylindrical die to produce ice with a density of approximately 40 lb/cu ft (0.65 gm/cu cm). Both the static mechanical characteristics and the crystalline structure of the ice were found to have little effect on the observed transient response. The impact forces generated by low density ice projectiles, which had very low mechanical strength, were comparable to those of full density solid ice. This supports the hypothesis that at a velocity significantly greater than that required to produce fracture in the ice, the mechanical properties become relatively insignificant, and the impact forces are governed by the shape and mass of the projectile.

  6. Ice crystal precipitation at Dome C site (East Antarctica)

    NASA Astrophysics Data System (ADS)

    Santachiara, G.; Belosi, F.; Prodi, F.

    2016-01-01

    For the first time, falling ice crystals were collected on glass slides covered with a thin layer of 2% formvar in chloroform at the Dome Concordia site (Dome C), Antarctica. Samplings were performed in the framework of the 27th Italian Antarctica expedition of the Italian National Program for Research in Antarctica in the period 21 February-6 August 2012. Events of clear-sky precipitations and precipitations from clouds were considered and the replicas obtained were examined under Scanning Electron Microscope (SEM). Several shapes of ice crystals were identified, including "diamond dust" (plates, pyramids, hollow and solid columns), and crystal aggregates varying in complexity. Single events often contained both small (10 μm to 50 μm) and large (hundreds of microns) crystals, suggesting that crystals can form simultaneously near the ground (height of a few hundred metres) and at higher layers (height of thousands of metres). Images of sampled crystal replicas showed that single bullets are not produced separately, but by the disintegration of combinations of bullets. Rimed ice crystals were absent in the Dome C samples, i.e. the only mode of crystal growth was water vapour diffusion. On considering the aerosol in the sampled crystals, we reached the conclusion that inertial impaction, interception and Brownian motion were insufficient to explain the scavenged aerosol. We therefore presume that phoretic forces play a role in scavenging during the crystal growth process.

  7. Superheating of ice crystals in antifreeze protein solutions.

    PubMed

    Celik, Yeliz; Graham, Laurie A; Mok, Yee-Foong; Bar, Maya; Davies, Peter L; Braslavsky, Ido

    2010-03-23

    It has been argued that for antifreeze proteins (AFPs) to stop ice crystal growth, they must irreversibly bind to the ice surface. Surface-adsorbed AFPs should also prevent ice from melting, but to date this has been demonstrated only in a qualitative manner. Here we present the first quantitative measurements of superheating of ice in AFP solutions. Superheated ice crystals were stable for hours above their equilibrium melting point, and the maximum superheating obtained was 0.44 degrees C. When melting commenced in this superheated regime, rapid melting of the crystals from a point on the surface was observed. This increase in melting temperature was more appreciable for hyperactive AFPs compared to the AFPs with moderate antifreeze activity. For each of the AFP solutions that exhibited superheating, the enhancement of the melting temperature was far smaller than the depression of the freezing temperature. The present findings clearly show that AFPs adsorb to ice surfaces as part of their mechanism of action, and this absorption leads to protection of ice against melting as well as freezing. PMID:20215465

  8. Superheating of ice crystals in antifreeze protein solutions

    PubMed Central

    Celik, Yeliz; Graham, Laurie A.; Mok, Yee-Foong; Bar, Maya; Davies, Peter L.; Braslavsky, Ido

    2010-01-01

    It has been argued that for antifreeze proteins (AFPs) to stop ice crystal growth, they must irreversibly bind to the ice surface. Surface-adsorbed AFPs should also prevent ice from melting, but to date this has been demonstrated only in a qualitative manner. Here we present the first quantitative measurements of superheating of ice in AFP solutions. Superheated ice crystals were stable for hours above their equilibrium melting point, and the maximum superheating obtained was 0.44?C. When melting commenced in this superheated regime, rapid melting of the crystals from a point on the surface was observed. This increase in melting temperature was more appreciable for hyperactive AFPs compared to the AFPs with moderate antifreeze activity. For each of the AFP solutions that exhibited superheating, the enhancement of the melting temperature was far smaller than the depression of the freezing temperature. The present findings clearly show that AFPs adsorb to ice surfaces as part of their mechanism of action, and this absorption leads to protection of ice against melting as well as freezing. PMID:20215465

  9. Growth of ice discs from the vapor and the mechanism of habit change of ice crystals

    NASA Technical Reports Server (NTRS)

    Keller, V. W.; Mcknight, C. V.; Hallett, J.

    1980-01-01

    Ice crystals nucleated on a liquid nitrogen cooled glass fiber grow first as thin disks which subsequently transform to plates and columns as they thicken and extend to regions of higher supersaturation. Crystals are often found to be dislocation-free, which suggests that growth results from surface nucleation, the habit depending on preferential nucleation in an adsorbed multilayer on basal or prism face.

  10. Preferred Ice Crystal Orientation Fabric Measurements within the Greenland Ice Sheet Using Multi-Polarization Radar Data

    NASA Astrophysics Data System (ADS)

    Velez-Gonzalez, J. A.; JiLu, L.; Leuschen, C.; Gogineni, P.; Van der Veen, C. J.; Tsoflias, G. P.; Drews, R.; Harish, A. R.

    2013-12-01

    Discharge of ice from the Greenland Ice Sheet to the ocean has increased significantly over the last 25 years due to the acceleration of important outlet glaciers. It was reported that the Greenland Ice Sheet contributed about 2.5 m out of about 6 m of sea-level rise during the Eemian interglacial period. The temperatures during Eemian were reported to be about 8o4o C higher than the mean of the past millennium. Laboratory measurements have shown that glacial ice, characterized by preferred crystal orientation fabric (COF), is three times more deformable than ice with randomly oriented crystalline structures. Layers characterized by preferred ice COF can influence the flow behavior of a glacier or ice sheet. However, COF measurements are typically obtained from ice cores, and thus are very spatially limited and mostly constrained to areas with little ice flow. A more efficient technique to map the extent of ice fabric over larger regions of ice sheets is needed to better understand the effects on large scale ice flow processes. Radar measurements are capable of discriminating between reflections caused by changes in density, electrical permittivity and COF by exploiting the anisotropic and birefringent properties of ice crystals. For this investigation two radar datasets were collected during the survey of the Greenland Eemian Ice Drilling Site (77.45N 51.06W) in August 2008, using a ground-based and chirped-pulse Multi-Channel Radar Depth Sounder (MCRDS) developed by the Center for Remote Sensing of Ice Sheets (CReSIS). The radar used two transmit and eight receive antennas at the center frequency of 150 MHz with a bandwidth of 30 MHz. The first data set consisted of polarimatric measurements acquired in a circular pattern (radius: 35 m) with two co-polarized antenna orientations (one transmitter and four receivers oriented with 90 offsets in the directions of the incident H-Field and E-Field, respectively). Analysis of the circular data shows a periodic power variation with four distinct extinction patterns occurring at 90 degree intervals starting at approximately 700 m depth. Furthermore a 20 degree phase change is observed between the E- and H-field data. Both observations suggest that approximately 72% of the 2542m ice column exhibits birefringent anisotropy caused by preferred ice crystal orientation. The second dataset was acquired in a grid pattern consisting of twenty 10-Km 2D lines (NW to SE) spaced at 0.5-Km and three 10-Km lines (NE to SW) spaced at 2.5-Km. Both transmit and eight receive antenna were oriented parallel to the vehicle track, resulting in E-Field co-polarized data. We will determine the dominant COF relative to the ice divide for a 100 square Km region around the NEEM camp using the results from both datasets. The results of this investigation will be compared to the NEEM ice core observations to determine the accuracy of the analysis. In this investigation we will provide a brief overview of the system and experiments and present the results of data analysis.

  11. Ice-templated structures for biomedical tissue repair: From physics to final scaffolds

    NASA Astrophysics Data System (ADS)

    Pawelec, K. M.; Husmann, A.; Best, S. M.; Cameron, R. E.

    2014-06-01

    Ice-templating techniques, including freeze-drying and freeze casting, are extremely versatile and can be used with a variety of materials systems. The process relies on the freezing of a water based solution. During freezing, ice nucleates within the solution and concentrates the solute in the regions between the growing crystals. Once the ice is removed via sublimation, the solute remains in a porous structure, which is a negative of the ice. As the final structure of the ice relies on the freezing of the solution, the variables which influence ice nucleation and growth alter the structure of ice-templated scaffolds. Nucleation, the initial step of freezing, can be altered by the type and concentration of solutes within the solution, as well as the set cooling rate before freezing. After nucleation, crystal growth and annealing processes, such as Ostwald ripening, determine the features of the final scaffold. Both crystal growth and annealing are sensitive to many factors including the set freezing temperature and solutes. The porous structures created using ice-templating allow scaffolds to be used for many diverse applications, from microfluidics to biomedical tissue engineering. Within the field of tissue engineering, scaffold structure can influence cellular behavior, and is thus critical for determining the biological stimulus supplied by the scaffold. The research focusing on controlling the ice-templated structure serves as a model for how other ice-templating systems might be tailored, to expand the applications of ice-templated structures to their full potential.

  12. The effect of ice crystal shape on aircraft contrails

    NASA Astrophysics Data System (ADS)

    Meza Castillo, Omar E.

    Aircraft contrails are a common phenomenon observed in the sky. They are formed mainly of water, from the ambient atmosphere and as a by-product of the combustion process, in the form of ice crystals. They have been identified as a potential contributor to global warming. Some contrails can be long-lived and create man-made cloud cover, thus possibly altering the radiative balance of the earth. There has been a great deal of research on various aspects of contrail development, but to date, little has been done on the influence of ice crystal shapes on the contrail evolution. In-situ studies have reported that young contrails are mainly quasi-spherical crystals while older contrails can have a much more diverse spectrum of possible shapes. The most common shapes found in contrails are quasi-spherical, hexagonal columns, hexagonal plates, and bullet rosettes. Numerical simulations of contrails to date typically have assumed "spherical" as the default ice shape. This work simulated contrail development with a large eddy simulation (LES) model that implemented both spherical and non-spherical shapes to examine the effects. The included shape effect parameters, such as capacitance coefficient, ventilation factor, Kelvin effect, fall velocity and ice crystal surface area, help to establish the shape difference in the results. This study also investigated initial sensitivities to an additional ice parameter, the ice deposition coefficient. The literature shows conflicting values for this coefficient over a wide range. In the course of this investigation a comparison of various ice metrics was made for simulations with different assumed crystal shapes (spheres, hexagonal columns, hexagonal plates, bullet rosettes and combination of shapes). The simulations were performed at early and late contrail time, with a range of ice crystal sizes, and with/without coupled radiation. In young and older contrails and without coupled radiation, the difference from the shape effect in ice crystal number, N(t), is not significant compared with the level of uncertainty. In young contrails, the difference between spherical and non-spherical shapes in N(t) is less than 7% for relatively large ice particles and 23% for relatively small ice particles. The ice mass, M(t), is not significantly affected by the crystal shapes, with less than 8% difference. However, the ice surface area, S(t), is the ice metric more sensitive to crystal shape, with a maximum difference of 68%. It increases at late time, though it is mainly governed by geometrical rather than dynamical effects. The small sensitivity to shape effects in the ice contrail metrics when radiation is not included suggests that the spherical shape will provide a reasonable representation for all shapes found in the in-situ studies. The radiation is included at late time, when the lasting effects of contrails are more critical. The inclusion of coupled radiation increases the level of dispersion in the results and hence increases slightly the differences due to shape effects. The small difference is also observed in the infrared heating rates of contrails.

  13. Variability in millimeter wave scattering properties of dendritic ice crystals

    NASA Astrophysics Data System (ADS)

    Botta, Giovanni; Aydin, Kltegin; Verlinde, Johannes

    2013-12-01

    A detailed electromagnetic scattering model for ice crystals is necessary for calculating radar reflectivity from cloud resolving model output in any radar simulator. The radar reflectivity depends on the backscattering cross sections and size distributions of particles in the radar resolution volume. The backscattering cross section depends on the size, mass and distribution of mass within the crystal. Most of the available electromagnetic scattering data for ice hydrometeors rely on simple ice crystal types and a single mass-dimensional relationship for a given type. However, a literature survey reveals that the mass-dimensional relationships for dendrites cover a relatively broad region in the mass-dimensional plane. This variability of mass and mass distribution of dendritic ice crystals cause significant variability in their backscattering cross sections, more than 10 dB for all sizes (0.5-5 mm maximum dimension) and exceeding 20 dB for the larger ones at X-, Ka-, and W-band frequencies. Realistic particle size distributions are used to calculate radar reflectivity and ice water content (IWC) for three mass-dimensional relationships. The uncertainty in the IWC for a given reflectivity spans an order of magnitude in value at all three frequencies because of variations in the unknown mass-dimensional relationship and particle size distribution. The sensitivity to the particle size distribution is reduced through the use of dual frequency reflectivity ratios, e.g., Ka- and W-band frequencies, together with the reflectivity at one of the frequencies for estimating IWC.

  14. Formation of gas hydrate during crystallization of ethane-saturated amorphous ice

    NASA Astrophysics Data System (ADS)

    Faizullin, M. Z.; Vinogradov, A. V.; Skokov, V. N.; Koverda, V. P.

    2014-10-01

    Layers of ethane-saturated amorphous ice were prepared by depositing molecular beams of water and gas on a substrate cooled with liquid nitrogen. The heating of the layers was accompanied by vitrification (softening) followed by spontaneous crystallization. Crystallization of condensates under the conditions of deep metastability proceeded with gas hydrate formation. The vitrification and crystallization temperatures of the condensates were determined from the changes in their dielectric properties on heating. The thermal effects of transformations were recorded by differential thermal analysis. The crystallization of the amorphous water layers was studied by electron diffraction. Formation of a metastable packing with elements of a cubic diamond-like structure was noted.

  15. Ice Crystal Icing Engine Testing in the NASA Glenn Research Center's Propulsion Systems Laboratory (PSL): Altitude Investigation

    NASA Technical Reports Server (NTRS)

    Oliver, Michael J.

    2015-01-01

    The National Aeronautics and Space Administration conducted a full scale ice crystal icing turbofan engine test in the NASA Glenn Research Centers Propulsion Systems Laboratory (PSL) Facility in February 2013. Honeywell Engines supplied the test article, an obsolete, unmodified Lycoming ALF502-R5 turbofan engine serial number LF01 that experienced an un-commanded loss of thrust event while operating at certain high altitude ice crystal icing conditions. These known conditions were duplicated in the PSL for this testing.

  16. Ice Growth Measurements from Image Data to Support Ice Crystal and Mixed-Phase Accretion Testing

    NASA Technical Reports Server (NTRS)

    Struk, Peter M.; Lynch, Christopher J.

    2012-01-01

    This paper describes the imaging techniques as well as the analysis methods used to measure the ice thickness and growth rate in support of ice-crystal icing tests performed at the National Research Council of Canada (NRC) Research Altitude Test Facility (RATFac). A detailed description of the camera setup, which involves both still and video cameras, as well as the analysis methods using the NASA Spotlight software, are presented. Two cases, one from two different test entries, showing significant ice growth are analyzed in detail describing the ice thickness and growth rate which is generally linear. Estimates of the bias uncertainty are presented for all measurements. Finally some of the challenges related to the imaging and analysis methods are discussed as well as methods used to overcome them.

  17. Ice-binding proteins that accumulate on different ice crystal planes produce distinct thermal hysteresis dynamics.

    PubMed

    Drori, Ran; Celik, Yeliz; Davies, Peter L; Braslavsky, Ido

    2014-09-01

    Ice-binding proteins that aid the survival of freeze-avoiding, cold-adapted organisms by inhibiting the growth of endogenous ice crystals are called antifreeze proteins (AFPs). The binding of AFPs to ice causes a separation between the melting point and the freezing point of the ice crystal (thermal hysteresis, TH). TH produced by hyperactive AFPs is an order of magnitude higher than that produced by a typical fish AFP. The basis for this difference in activity remains unclear. Here, we have compared the time dependence of TH activity for both hyperactive and moderately active AFPs using a custom-made nanolitre osmometer and a novel microfluidics system. We found that the TH activities of hyperactive AFPs were time-dependent, and that the TH activity of a moderate AFP was almost insensitive to time. Fluorescence microscopy measurement revealed that despite their higher TH activity, hyperactive AFPs from two insects (moth and beetle) took far longer to accumulate on the ice surface than did a moderately active fish AFP. An ice-binding protein from a bacterium that functions as an ice adhesin rather than as an antifreeze had intermediate TH properties. Nevertheless, the accumulation of this ice adhesion protein and the two hyperactive AFPs on the basal plane of ice is distinct and extensive, but not detectable for moderately active AFPs. Basal ice plane binding is the distinguishing feature of antifreeze hyperactivity, which is not strictly needed in fish that require only approximately 1°C of TH. Here, we found a correlation between the accumulation kinetics of the hyperactive AFP at the basal plane and the time sensitivity of the measured TH. PMID:25008081

  18. Ice-binding proteins that accumulate on different ice crystal planes produce distinct thermal hysteresis dynamics

    PubMed Central

    Drori, Ran; Celik, Yeliz; Davies, Peter L.; Braslavsky, Ido

    2014-01-01

    Ice-binding proteins that aid the survival of freeze-avoiding, cold-adapted organisms by inhibiting the growth of endogenous ice crystals are called antifreeze proteins (AFPs). The binding of AFPs to ice causes a separation between the melting point and the freezing point of the ice crystal (thermal hysteresis, TH). TH produced by hyperactive AFPs is an order of magnitude higher than that produced by a typical fish AFP. The basis for this difference in activity remains unclear. Here, we have compared the time dependence of TH activity for both hyperactive and moderately active AFPs using a custom-made nanolitre osmometer and a novel microfluidics system. We found that the TH activities of hyperactive AFPs were time-dependent, and that the TH activity of a moderate AFP was almost insensitive to time. Fluorescence microscopy measurement revealed that despite their higher TH activity, hyperactive AFPs from two insects (moth and beetle) took far longer to accumulate on the ice surface than did a moderately active fish AFP. An ice-binding protein from a bacterium that functions as an ice adhesin rather than as an antifreeze had intermediate TH properties. Nevertheless, the accumulation of this ice adhesion protein and the two hyperactive AFPs on the basal plane of ice is distinct and extensive, but not detectable for moderately active AFPs. Basal ice plane binding is the distinguishing feature of antifreeze hyperactivity, which is not strictly needed in fish that require only approximately 1°C of TH. Here, we found a correlation between the accumulation kinetics of the hyperactive AFP at the basal plane and the time sensitivity of the measured TH. PMID:25008081

  19. Spatially resolved detection of crystallized water ice in a T Tauri object

    NASA Astrophysics Data System (ADS)

    Schegerer, A. A.; Wolf, S.

    2010-07-01

    Aims: We search for frozen water and its processing around young stellar objects (YSOs of class I/II). We try to detect potential, regional differences in water ice evolution within YSOs, which is relevant to understanding the chemical structure of the progenitors of protoplanetary systems and the evolution of solid materials. Water plays an important role as a reaction bed for rich chemistry and is an indispensable requirement for life as known on Earth. Methods: We present our analysis of NAOS-CONICA/VLT spectroscopy of water ice at 3 ?m for the T Tauri star YLW 16 A in the ? Ophiuchi molecular cloud. We obtained spectra for different regions of the circumstellar environment. The observed absorption profiles are deconvolved with the mass extinction profiles of amorphous and crystallized ice measured in laboratory. We take into account both absorption and scattering by ice grains. Results: Water ice in YLW16A is detected with optical depths of between ? = 1.8 and ? = 2.5. The profiles that are measured can be fitted predominantly by the extinction profiles of small grains (0.1 ?m-0.3 ?m) with a small contribution from large grains (<10%). However, an unambiguous trace of grain growth cannot be found. We detected crystallized water ice spectra that have their origin in different regions of the circumstellar environment of the T Tauri star YLW 16 A. The crystallinity increases in the upper layers of the circumstellar disk, while only amorphous grains exist in the bipolar envelope. As in studies of silicate grains in T Tauri objects, the higher crystallinity in the upper layers of the outer disk regions implies that water ice crystallizes and remains crystallized close to the disk atmosphere where water ice is shielded against hard irradiation. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere, Chile (proposal 077.C-0794(A)).Appendix is only available in electronic form at http://www.aanda.org

  20. Direct Measurement of Water States in Cryopreserved Cells Reveals Tolerance toward Ice Crystallization.

    PubMed

    Huebinger, Jan; Han, Hong-Mei; Hofnagel, Oliver; Vetter, Ingrid R; Bastiaens, Philippe I H; Grabenbauer, Markus

    2016-02-23

    Complex living systems such as mammalian cells can be arrested in a solid phase by ultrarapid cooling. This allows for precise observation of cellular structures as well as cryopreservation of cells. The state of water, the main constituent of biological samples, is crucial for the success of cryogenic applications. Water exhibits many different solid states. If it is cooled extremely rapidly, liquid water turns into amorphous ice, also called vitreous water, a glassy and amorphous solid. For cryo-preservation, the vitrification of cells is believed to be mandatory for cell survival after freezing. Intracellular ice crystallization is assumed to be lethal, but experimental data on the state of water during cryopreservation are lacking. To better understand the water conditions in cells subjected to freezing protocols, we chose to directly analyze their subcellular water states by cryo-electron microscopy and tomography, cryoelectron diffraction, and x-ray diffraction both in the cryofixed state and after warming to different temperatures. By correlating the survival rates of cells with their respective water states during cryopreservation, we found that survival is less dependent on ice-crystal formation than expected. Using high-resolution cryo-imaging, we were able to directly show that cells tolerate crystallization of extra- and intracellular water. However, if warming is too slow, many small ice crystals will recrystallize into fewer but bigger crystals, which is lethal. The applied cryoprotective agents determine which crystal size is tolerable. This suggests that cryoprotectants can act by inhibiting crystallization or recrystallization, but they also increase the tolerance toward ice-crystal growth. PMID:26541066

  1. Investigations of electromagnetic scattering by columnar ice crystals

    NASA Technical Reports Server (NTRS)

    Weil, H.; Senior, T. B. A.

    1976-01-01

    An integral equation approach was developed to determine the scattering and absorption of electromagnetic radiation by thin walled cylinders of arbitrary cross-section and refractive index. Based on this method, extensive numerical data was presented at infrared wavelengths for hollow hexagonal cross section cylinders which simulate columnar sheath ice crystals.

  2. Ice nucleation: elemental identification of particles in snow crystals.

    PubMed

    Parungo, F P; Pueschel, R F

    1973-06-01

    A scanning field-emission electron microscope combined with an x-ray analyzer is used to locate the ice nucleus within a three-dimensional image of a snow crystal and determine the chemical composition of the nucleus. This makes it possible to better understand the effect of nuclei in cloud seeding. PMID:17806581

  3. The scavenging of high altitude aerosol by small ice crystals

    NASA Astrophysics Data System (ADS)

    Andrew Bell, D.; Saunders, Clive P. R.

    There have been several global models developed for the theoretical investigation of the removal of high altitude aerosol from the atmosphere, following concern about the injection of particulate material by nuclear explosions and volcanic events. These models lack a knowledge of the scavenging efficiencies of the small ice crystals associated with cirus clouds and storm ice anvils. These are the only hydrometers that could remove the injected particles. In the past there have been a number of practical studies into the scavenging efficiencies of large ice crystaks and snowflakes. A comparison of the extrapolated results of these findings and the theoretical models of Martin et al. (1980, Pure appl. Phys.188, 1109-1129, J. atmos. Sci.37, 1628-1638) for the small crystal situation has been made. It was found that in general the extrapolated results gave efficiencies that were significantly higher than the predicted value. This difference was found to be enhanced as the crystal diameter decreased. Experiments used small ice plates grown at -18.5C in a cloud chamber, which were then permitted to fall through a dense aerosol cloud, to provide the first direct measurements of the scavenging efficiencies of this small crystals under cloud conditions. Initial results are presented for mono-disperse NaCl aerosol particles of size 4-6 ?m.

  4. Effect of the Inhomogeneity of Ice Crystals on Retrieving Ice Cloud Optical Thickness and Effective Particle Size

    NASA Technical Reports Server (NTRS)

    Xie, Yu; Minnis, Patrick; Hu, Yong X.; Kattawar, George W.; Yang, Ping

    2008-01-01

    Spherical or spheroidal air bubbles are generally trapped in the formation of rapidly growing ice crystals. In this study the single-scattering properties of inhomogeneous ice crystals containing air bubbles are investigated. Specifically, a computational model based on an improved geometric-optics method (IGOM) has been developed to simulate the scattering of light by randomly oriented hexagonal ice crystals containing spherical or spheroidal air bubbles. A combination of the ray-tracing technique and the Monte Carlo method is used. The effect of the air bubbles within ice crystals is to smooth the phase functions, diminish the 22deg and 46deg halo peaks, and substantially reduce the backscatter relative to bubble-free particles. These features vary with the number, sizes, locations and shapes of the air bubbles within ice crystals. Moreover, the asymmetry factors of inhomogeneous ice crystals decrease as the volume of air bubbles increases. Cloud reflectance lookup tables were generated at wavelengths 0.65 m and 2.13 m with different air-bubble conditions to examine the impact of the bubbles on retrieving ice cloud optical thickness and effective particle size. The reflectances simulated for inhomogeneous ice crystals are slightly larger than those computed for homogenous ice crystals at a wavelength of 0.65 microns. Thus, the retrieved cloud optical thicknesses are reduced by employing inhomogeneous ice cloud models. At a wavelength of 2.13 microns, including air bubbles in ice cloud models may also increase the reflectance. This effect implies that the retrieved effective particle sizes for inhomogeneous ice crystals are larger than those retrieved for homogeneous ice crystals, particularly, in the case of large air bubbles.

  5. Modeling variability in dendritic ice crystal backscattering cross sections at millimeter wavelengths using a modified Rayleigh-Gans theory

    NASA Astrophysics Data System (ADS)

    Lu, Yinghui; Clothiaux, Eugene E.; Aydin, Kltegin; Botta, Giovanni; Verlinde, Johannes

    2013-12-01

    Using the Generalized Multi-particle Mie-method (GMM), Botta et al. (in this issue) [7] created a database of backscattering cross sections for 412 different ice crystal dendrites at X-, Ka- and W-band wavelengths for different incident angles. The Rayleigh-Gans theory, which accounts for interference effects but ignores interactions between different parts of an ice crystal, explains much, but not all, of the variability in the database of backscattering cross sections. Differences between it and the GMM range from -3.5 dB to +2.5 dB and are highly dependent on the incident angle. To explain the residual variability a physically intuitive iterative method was developed to estimate the internal electric field within an ice crystal that accounts for interactions between the neighboring regions within it. After modifying the Rayleigh-Gans theory using this estimated internal electric field, the difference between the estimated backscattering cross sections and those from the GMM method decreased to within 0.5 dB for most of the ice crystals. The largest percentage differences occur when the form factor from the Rayleigh-Gans theory is close to zero. Both interference effects and neighbor interactions are sensitive to the morphology of ice crystals. Improvements in ice-microphysical models are necessary to predict or diagnose internal structures within ice crystals to aid in more accurate interpretation of radar returns. Observations of the morphology of ice crystals are, in turn, necessary to guide the development of such ice-microphysical models and to better understand the statistical properties of ice crystal morphologies in different environmental conditions.

  6. Structural studies of ices at high pressure

    NASA Astrophysics Data System (ADS)

    Loveday, J. S.; Nelmes, R. J.; Marshall, W. G.; Besson, J. M.; Klotz, S.; Hamel, G.

    1998-04-01

    The development of the Paris-Edinburgh cell has extended the pressure range for neutron diffraction by a full order of magnitude to 25 GPa and has permitted the first neutron structural studies of ices over an extended pressure range. High-pressure structural studies on ice, ammonia, methane, hydrogen sulphide and ammonia monohydrate have now been performed. The results reveal a wealth of new and unexpected phenomena, suggesting that the high-pressure structures of ices are much more complex than previously thought and establishing the importance of neutron diffraction in this field.

  7. Snow crystal imaging using scanning electron microscopy: III. Glacier ice, snow and biota

    USGS Publications Warehouse

    Rango, A.; Wergin, W.P.; Erbe, E.F.; Josberger, E.G.

    2000-01-01

    Low-temperature scanning electron microscopy (SEM) was used to observe metamorphosed snow, glacial firn, and glacial ice obtained from South Cascade Glacier in Washington State, USA. Biotic samples consisting of algae (Chlamydomonas nivalis) and ice worms (a species of oligochaetes) were also collected and imaged. In the field, the snow and biological samples were mounted on copper plates, cooled in liquid nitrogen, and stored in dry shipping containers which maintain a temperature of -196??C. The firn and glacier ice samples were obtained by extracting horizontal ice cores, 8 mm in diameter, at different levels from larger standard glaciological (vertical) ice cores 7.5 cm in diameter. These samples were cooled in liquid nitrogen and placed in cryotubes, were stored in the same dry shipping container, and sent to the SEM facility. In the laboratory, the samples were sputter coated with platinum and imaged by a low-temperature SEM. To image the firn and glacier ice samples, the cores were fractured in liquid nitrogen, attached to a specimen holder, and then imaged. While light microscope images of snow and ice are difficult to interpret because of internal reflection and refraction, the SEM images provide a clear and unique view of the surface of the samples because they are generated from electrons emitted or reflected only from the surface of the sample. In addition, the SEM has a great depth of field with a wide range of magnifying capabilities. The resulting images clearly show the individual grains of the seasonal snowpack and the bonding between the snow grains. Images of firn show individual ice crystals, the bonding between the crystals, and connected air spaces. Images of glacier ice show a crystal structure on a scale of 1-2 mm which is considerably smaller than the expected crystal size. Microscopic air bubbles, less than 15 ??m in diameter, clearly marked the boundaries between these crystal-like features. The life forms associated with the glacier were easily imaged and studied. The low-temperature SEM sample collecting and handling methods proved to be operable in the field; the SEM analysis is applicable to glaciological studies and reveals details unattainable by conventional light microscopic methods.Low temperature scanning electron microscopy (SEM) was used to observe metamorphosed snow, glacial firn, and glacial ice obtained from South Cascade Glacier in Washington State, USA. Biotic samples consisting of algae and ice worms were also collected and imaged. The SEM images provide a clear and unique view of the surface of the samples because they are generated from electrons emitted or reflected only from the surface of the sample. The SEM has a great depth of field with a wide range of magnifying capabilities.

  8. Structural properties of impact ices accreted on aircraft structures

    NASA Technical Reports Server (NTRS)

    Scavuzzo, R. J.; Chu, M. L.

    1987-01-01

    The structural properties of ice accretions formed on aircraft surfaces are studied. The overall objectives are to measure basic structural properties of impact ices and to develop finite element analytical procedures for use in the design of all deicing systems. The Icing Research Tunnel (IRT) was used to produce simulated natural ice accretion over a wide range of icing conditions. Two different test apparatus were used to measure each of the three basic mechanical properties: tensile, shear, and peeling. Data was obtained on both adhesive shear strength of impact ices and peeling forces for various icing conditions. The influences of various icing parameters such as tunnel air temperature and velocity, icing cloud drop size, material substrate, surface temperature at ice/material interface, and ice thickness were studied. A finite element analysis of the shear test apparatus was developed in order to gain more insight in the evaluation of the test data. A comparison with other investigators was made. The result shows that the adhesive shear strength of impact ice typically varies between 40 and 50 psi, with peak strength reaching 120 psi and is not dependent on the kind of substrate used, the thickness of accreted ice, and tunnel temperature below 4 C.

  9. Apparatus for single ice crystal growth from the melt

    NASA Astrophysics Data System (ADS)

    Zepeda, Salvador; Nakatsubo, Shunichi; Furukawa, Yoshinori

    2009-11-01

    A crystal growth apparatus was designed and built to study the effect of growth modifiers, antifreeze proteins and antifreeze glycoproteins (AFGPs), on ice crystal growth kinetics and morphology. We used a capillary growth technique to obtain a single ice crystal with well-defined crystallographic orientation grown in AFGP solution. The basal plane was readily observed by rotation of the capillary. The main growth chamber is approximately a 0.8ml cylindrical volume. A triple window arrangement was used to minimize temperature gradients and allow for up to 10mm working distance objective lens. Temperature could be established to within ±10mK in as little as 3.5min and controlled to within ±2mK after 15min for at least 10h. The small volume growth chamber and fast equilibration times were necessary for parabolic flight microgravity experiments. The apparatus was designed for use with inverted and side mount configurations.

  10. Ice crystal growth in a dynamic thermal diffusion chamber

    NASA Technical Reports Server (NTRS)

    Keller, V. W.

    1980-01-01

    Ice crystals were grown in a supersaturated environment produced by a dynamic thermal diffusion chamber, which employed two horizontal plates separated by a distance of 2.5 cm. Air was circulated between and along the 1.2 m length of the plates past ice crystals which nucleated and grew from a fiber suspended vertically between the two plates. A zoom stereo microscope with a magnification which ranged from 3X to 80X and both 35 mm still photographs and 16 mm time lapse cine films taken through the microscope were used to study the variation of the shape and linear growth rate of ice crystals as a function of the ambient temperature, the ambient supersaturation, and the forced ventilation velocity. The ambient growth conditions were varied over the range of temperature 0 to -40 C, over the range of supersaturation 4% to 50% with respect to ice, and over the range of forced ventilation velocities 0 cm/s to 20 cm/s.

  11. Analysis of ice crystal growth for a crystal surface containing adsorbed antifreeze proteins

    NASA Astrophysics Data System (ADS)

    Grandum, Svein; Yabe, Akira; Nakagomi, Kazuya; Tanaka, Makoto; Takemura, Fumio; Kobayashi, Yasunori; Frivik, Per-Erling

    1999-09-01

    The adsorption of antifreeze protein (AFP) molecules to the ice crystal surface during melt growth from an AFP solution results in disturbance of the growth kinetics at the surface interface. In this paper, the growth pattern related to the potential for crystal growth as well as the crystal surface topography have been studied. The crystal shape and size were found to be strongly dependent on the supercooling in the crystal's surrounding liquid. In between a transition temperature and the freezing temperature, needle-type crystals were formed, growing rapidly in the c-axis direction. The surface was investigated using a scanning tunneling microscope (STM) and a systematic groove/ridge pattern aligned 65° (±5°) to the hexagonal side on one bipyramidal plane observed with length and width similar to the size of the AFP molecule. The depth of the grooves, ranging from 2 to 10 nm indicates the curvature of ice.

  12. Dimensions and aspect ratios of natural ice crystals

    NASA Astrophysics Data System (ADS)

    Um, J.; McFarquhar, G. M.; Hong, Y. P.; Lee, S.-S.; Jung, C. H.; Lawson, R. P.; Mo, Q.

    2015-04-01

    During the 2006 Tropical Warm Pool International Cloud Experiment (TWP-ICE) in the tropics, the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) in the Arctic, and the 2010 Small PARTicles In CirrUS (SPARTICUS) campaign at mid-latitudes, high-resolution images of ice crystals were recorded by a Cloud Particle Imager at temperatures (T) between -87 and 0 C. The projected maximum dimension (D'), length (L'), and width (W') of pristine columns, plates, and component bullets of bullet rosettes were measured using newly developed software, the Ice Crystal Ruler. The number of bullets in each bullet rosette was also measured. Column crystals were further distinguished as either horizontally oriented columns or columns with other orientations to eliminate any orientation effect on the measured dimensions. The dimensions and aspect ratios (AR, the dimension of the major axis divided by the dimension of the minor axis) of crystals were determined as functions of temperature, geophysical location, and type of cirrus. Dimensions of crystals generally increased with temperature. Columns and bullets had larger dimensions (i.e., W') of the minor axis (i.e., a axis) for a given dimension (i.e., D' orL') of the major axis (i.e., c axis), and thus smaller AR, as T increased, whereas this trend did not occur for plate crystals. The average number of branches in bullet rosettes was 5.50 1.35 during three campaigns and 6.32 1.34 (5.46 1.34; 4.95 1.01) during TWP-ICE (SPARTICUS; ISDAC). The AR of bullets increased with the number of branches in bullet rosettes. Most dimensions of crystals and ARs of columnar crystals measured during SPARTICUS were larger than those measured during TWP-ICE and ISDAC at -67 < T < -35 C and at -40 < T < -15 C, respectively. The relative occurrence of varying pristine habits depended strongly on cirrus type (i.e., anvil or non-anvil clouds), with plates especially occurring more frequently in anvils. The L-W relationships of columns derived using current data exhibited a strong dependence on temperature; similar relationships determined in previous studies were within the range of the current data.

  13. Dimensions and aspect ratios of natural ice crystals

    DOE PAGESBeta

    Um, J.; McFarquhar, G. M.; Hong, Y. P.; Lee, S. -S.; Jung, C. H.; Lawson, R. P.; Mo, Q.

    2014-12-10

    During the 2006 Tropical Warm Pool International Cloud Experiment (TWP-ICE) in the Tropics, the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) in the Arctic, and the 2010 Small PARTicles In CirrUS (SPARTICUS) campaign in mid-latitudes, high-resolution images of ice crystals were recorded by a Cloud Particle Imager at temperatures (T) between -87 and 0 °C. The projected maximum dimension (D'), length (L'), and width (W') of pristine columns, plates, and component bullets of bullet rosettes were measured using newly developed software, the Ice Crystal Ruler. The number of bullets in each bullet rosette was also measured. Column crystals were furthermore » distinguished as either horizontally oriented columns or columns with other orientations to eliminate any orientation effect on the measured dimensions. Dimensions and aspect ratios (AR, dimension of major axis divided by dimension of minor axis) of crystals were determined as functions of temperature, geophysical location, and type of cirrus. Dimensions of crystals generally increased as temperature increased. Columns and bullets had larger dimensions (i.e., W') of the minor axis (i.e., a axis) for a given dimension (i.e., D' or L') of the major axis (i.e., c axis), and thus smaller AR, as T increased, whereas this trend did not occur for plate crystals. The average number of branches in bullet rosettes was 5.50±1.35 during three campaigns and 6.32±1.34 (5.46±1.34; 4.95±1.01) during TWP-ICE (SPARTICUS; ISDAC). The AR of bullets increased with the number of branches in bullet rosettes. Most dimensions of crystals and ARs of columnar crystals measured during SPARTICUS were larger than those measured during TWP-ICE and ISDAC at −67 < T < −35 °C and at −40 < T < −15 °C, respectively. The relative occurrence of varying pristine habits depended strongly on cirrus type (i.e., anvil or non-anvil clouds), with plates especially occurring more frequently in anvils. The L–W relationships of columns derived using current data exhibited a strong dependence on temperature; similar relationship determined in previous studies were within the range of the current data.« less

  14. Dimensions and aspect ratios of natural ice crystals

    DOE PAGESBeta

    Um, J.; McFarquhar, G. M.; Hong, Y. P.; Lee, S. -S.; Jung, C. H.; Lawson, R. P.; Mo, Q.

    2015-04-15

    During the 2006 Tropical Warm Pool International Cloud Experiment (TWP-ICE) in the tropics, the 2008 Indirect and Semi-Direct Aerosol Campaign (ISDAC) in the Arctic, and the 2010 Small PARTicles In CirrUS (SPARTICUS) campaign at mid-latitudes, high-resolution images of ice crystals were recorded by a Cloud Particle Imager at temperatures (T) between -87 and 0 °C. The projected maximum dimension (D'), length (L'), and width (W') of pristine columns, plates, and component bullets of bullet rosettes were measured using newly developed software, the Ice Crystal Ruler. The number of bullets in each bullet rosette was also measured. Column crystals were furthermore » distinguished as either horizontally oriented columns or columns with other orientations to eliminate any orientation effect on the measured dimensions. The dimensions and aspect ratios (AR, the dimension of the major axis divided by the dimension of the minor axis) of crystals were determined as functions of temperature, geophysical location, and type of cirrus. Dimensions of crystals generally increased with temperature. Columns and bullets had larger dimensions (i.e., W') of the minor axis (i.e., a axis) for a given dimension (i.e., D' orL') of the major axis (i.e., c axis), and thus smaller AR, as T increased, whereas this trend did not occur for plate crystals. The average number of branches in bullet rosettes was 5.50 ± 1.35 during three campaigns and 6.32 ± 1.34 (5.46 ± 1.34; 4.95 ± 1.01) during TWP-ICE (SPARTICUS; ISDAC). The AR of bullets increased with the number of branches in bullet rosettes. Most dimensions of crystals and ARs of columnar crystals measured during SPARTICUS were larger than those measured during TWP-ICE and ISDAC at −67 < T < -35 °C and at −40 < T < −15 °C, respectively. The relative occurrence of varying pristine habits depended strongly on cirrus type (i.e., anvil or non-anvil clouds), with plates especially occurring more frequently in anvils. The L–W relationships of columns derived using current data exhibited a strong dependence on temperature; similar relationships determined in previous studies were within the range of the current data.« less

  15. Laboratory Investigation of Direct Measurement of Ice Water Content, Ice Surface Area, and Effective Radius of Ice Crystals Using a Laser-Diffraction Instrument

    NASA Technical Reports Server (NTRS)

    Gerber, H.; DeMott, P. J.; Rogers, D. C.

    1995-01-01

    The aircraft microphysics probe, PVM-100A, was tested in the Colorado State University dynamic cloud chamber to establish its ability to measure ice water content (IWC), PSA, and Re in ice clouds. Its response was compared to other means of measuring those ice-cloud parameters that included using FSSP-100 and 230-X 1-D optical probes for ice-crystal concentrations, a film-loop microscope for ice-crystal habits and dimensions, and an in-situ microscope for determining ice-crystal orientation. Intercomparisons were made in ice clouds containing ice crystals ranging in size from about 10 microns to 150 microns diameter, and ice crystals with plate, columnar, dendritic, and spherical shapes. It was not possible to determine conclusively that the PVM accurately measures IWC, PSA, and Re of ice crystals, because heat from the PVM evaporated in part the crystals in its vicinity in the chamber thus affecting its measurements. Similarities in the operating principle of the FSSP and PVM, and a comparison between Re measured by both instruments, suggest, however, that the PVM can make those measurements. The resolution limit of the PVM for IWC measurements was found to be on the order of 0.001 g/cubic m. Algorithms for correcting IWC measured by FSSP and PVM were developed.

  16. Ice Crystal Orientation in Cirrus: Secondary Torque on Plate Crystals in Diverging Electric Fields

    NASA Astrophysics Data System (ADS)

    Foster, T. C.; Hallett, J.

    2002-12-01

    Electric torques align atmospheric ice crystals such that one diameter of the crystal is along the field direction. There is an aerodynamic torque due to forces exerted by the surrounding air on crystals falling through it, which tend to align crystals horizontally. In addition there is also a weaker secondary electrical torque on plate crystals in electric fields with a diverging spatial dependence. For example, a plate crystal near an electrical line charge experience a torque which tends to rotate the crystal so that its second diameter lies parallel to the line of charge. This implies that near a vertical line charge the induced electrical torques tend to align one plate crystal diameter radially with respect to the line and the second diameter vertical. If such a field is turned on and is of sufficient magnitude, plate crystals initially oriented horizontally will rotate ninety degrees so that one diameter is vertical. Thus, optical effects resulting from reflection will be much stronger. The primary torque is modeled and compared to that found in the literature. A simple model demonstrates the role of this secondary torque, which is demonstrated in the laboratory utilizing aluminum foil "crystals" near charged conducting rods. The effect is also demonstrated in a laboratory chest freezer with ice crystal plates nucleated in a supercooled cloud. These crystals are reoriented near a charged metal rod with orientation changing by application of a square wave with variable frequency. Results are applied to the production of optical phenomenon in the atmosphere and the ability of oriented ice crystals to reflect a laser beam under conditions of different orientation and varying electric fields.

  17. Structure and Evolution of Ice Dwarf Planets

    NASA Astrophysics Data System (ADS)

    McKinnon, William B.; Barr, A. C.

    2006-09-01

    Recent discoveries prompt a new assessment of the properties of large, transneptunian objects. With the system barycenter determined by Nix and Hydra and its size by stellar occulation, Charon's density is now known at 1.65 0.06 g cm-3 (Buie et al., A.J. 132, 290, 2006). Structural calculations imply a 60/40 rock/ice ratio, lower than the system as a whole, but still geophysically significant. Early temperatures should have easily reached the ammonia-water ice eutectic, if not water-ice melting. While ice-rock differentiation is not assured in the presence of solid-state convection, convection is now known to be a less efficient heat transport mechanism compared with earlier parameterized convection models. If Charon managed to remain undifferentiated, it should have undergone prolonged cooling and internal conversion of ice I to II, with clear observational consequences. Bodies of the Pluto class mark the transition from solely ice-I shells (differentiation assumed) to shells with lower layers of higher-pressure ice phases (e.g., 2003 UB313); the Pluto class also marks the transition from bodies with Europa-type to Callisto-type oceans (if they have oceans), and if one ignores the possibility of intervening organic-rich layers. Although the very cold surfaces of the ice dwarfs work against the possibility of solid-state convection, the deep ice shells in Pluto-class bodies more than compensate; Pluto itself is near the tipping point for convective shut-down, a late stage in the evolution of large rock-ice bodies in which internal oceans thicken rather than thin. In contrast, the rapidly rotating 2003 EL61, if interpreted as Jacobi ellipsoid, has a density close to 2.6 g cm-3 (Rabinowitz et al., Ap. J. 639, 1238, 2006). This implies a Europa-like structure, 85/15 rock/ice by mass with an 100-km thick ice shell (though no ocean). This work supported by NASA OPR and New Horizons.

  18. Charge Transfer Process During Collision of Riming Graupel Pellet with Small Ice Crystals within a Thundercloud

    NASA Technical Reports Server (NTRS)

    Datta, Saswati; De, Utpal K.; Goswami, K.; Jones, Linwood

    1999-01-01

    A charge transfer process during the collision of a riming graupel pellet and an ice-crystal at low temperature is proposed. During riming, the surface structure of graupel deviates from perfect crystalline structure. A concept of quasi-solid layer (QSL) formation on the surface is introduced. This QSL contains defects formed during riming. In absence of impurities, positively charged X-defect abundance is considered in the outer layer. These defects are assumed to be the charge carriers during the charge transfer process. Some part of the QSL is stripped off by the colliding ice crystals, which thereby gain some positive charge, leaving the graupel pellet negatively charged. With the proposed model, fC to pC of charge transfer is observed per collision. A transition temperature between -10 C to -15 C is also noted beyond which the QSL concept does not hold. This transition temperature is dependent on the bulk liquid water content of the cloud.

  19. The Structural Properties of Vapor Deposited Water Ice and Astrophysical Implications

    NASA Technical Reports Server (NTRS)

    Jenniskens, P.; Blake, D. F.; Chang, Sherwood (Technical Monitor)

    1996-01-01

    Films of vapor deposited water ice at low temperature (T<30 K) show a number of interesting structural changes during a gradual warmup. We would like to talk about the structure of the low temperature high density amorphous form of water ice, the process of crystallization, and some recent work on the morphological changes of water ice films at high temperature. The studies of the high density amorphous form are from in-situ electron microscopy as well as numerical simulations of molecular dynamics and have lead to new insights into the physical distinction between this high density amorphous form and the low density amorphous form. For the process of crystallization, we propose a model that describes the crystallization of water ice from the amorphous phase to cubic ice in terms of the nucleation of small domains in the ice. This model agrees well with the behavior of water ice in our electron microscopy studies and finds that pure water above the glass transition is a strong liquid. In more recent work, we have concentrated on temperatures above the crystallization temperature and we find interesting morphological changes related to the decrease in viscosity of the amorphous component in the cubic crystalline regime. Given enough time, we would like to put these results in an astrophysical context and discuss some observed features of the frost on interstellar grains and the bulk ice in comets.

  20. Optical Properties of Small Ice Crystals with Black Carbon Inclusions

    NASA Astrophysics Data System (ADS)

    Yang, X.; Geier, M.; Arienti, M.

    2013-12-01

    The optical properties of ice crystals play a fundamental role in modeling atmospheric radiation and hydrological cycle, which are critical in monitoring climate change. While Black Carbon (BC) is recognized as the dominant absorber with positive radiative forcing (warming) (Ramanathan & Carmichael, 2008), in-situ observations (Cappa, et al, 2012) indicate that the characterization of the mixing state of BC with ice crystals and other non-BC particles in global climate models (Ghan & Schwartz, 2007) needs further investigation. The limitation in the available mixing models is due to the drastically different absorbing properties of BC compared to other aerosols. We explore the scattering properties of ice crystals (in shapes commonly found in cirrus clouds and contrails - Yang, et al. 2012) with the inclusion of BC particles. The Discrete Dipole Approximation (DDA) (Yurkin & Hoekstra, 2011) is utilized to directly calculate the optical properties of the crystals with multiple BC inclusions, modeled as a distribution of spheres. The results are then compared with the most popular models of internal and external mixing (Liou, et al. 2011). The DDA calculations are carried out over a broad range of BC particle sizes and volume fractions within the crystal at the 532 nm wavelength and for ice crystals smaller than 50 μm. The computationally intensive database generated in this study is critical for understanding the effect of different types of BC inclusions on the atmosphere radiative forcing. Examples will be discussed to illustrate the modification of BC optical properties by encapsulation in ice crystals and how the parameterization of the BC mixing state in global climate models can be improved. Acknowledgements Support by Sandia National Laboratories' LDRD (Laboratory Directed Research and Development) is gratefully acknowledged. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U. S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Cappa, C.D., Onasch, T.B., Massoli, et al. (2012). Radiative absorption enhancements due to the mixing state of atmospheric black carbon. Science, 337(6098), 1078-1081. Ghan, S.J., & Schwartz, S.E. (2007). Aerosol properties and processes: A path from field and laboratory measurements to global climate models. Bulletin of the American Meteorological Society, 88(7), 1059-1083. Liou, K.N., Takano, Y., & Yang, P. (2011). Light absorption and scattering by aggregates: Application to black carbon and snow grains. Journal of Quantitative Spectroscopy and Radiative Transfer, 112(10), 1581-1594. Ramanathan, V., & Carmichael, G. (2008). Global and regional climate changes due to black carbon. Nature Geoscience, 1(4), 221-227. Yang, P., Bi, L., Baum, B.A., et al. (2013). Spectrally Consistent Scattering, Absorption, and Polarization Properties of Atmospheric Ice Crystals at Wavelengths from 0.2 to 100 μ m. Journal of the Atmospheric Sciences, 70(1), 330-347. Yurkin, M.A., & Hoekstra, A.G. (2011). The discrete-dipole-approximation code ADDA: capabilities and known limitations. Journal of Quantitative Spectroscopy and Radiative Transfer, 112(13), 2234-2247.

  1. Are longitudinal ice-surface structures on the Antarctic Ice Sheet indicators of long-term ice-flow configuration?

    NASA Astrophysics Data System (ADS)

    Glasser, N. F.; Jennings, S. J. A.; Hambrey, M. J.; Hubbard, B.

    2014-07-01

    Continent-wide mapping of longitudinal ice-surface structures on the Antarctic Ice Sheet reveals that they originate in the interior of the ice sheet and are arranged in arborescent networks fed by multiple tributaries. Longitudinal ice-surface structures can be traced continuously down-ice for distances of up to 1200 km. They are co-located with fast-flowing glaciers and ice streams that are dominated by basal sliding rates above tens of m yr-1 and are strongly guided by subglacial topography. Longitudinal ice-surface structures dominate regions of converging flow, where ice flow is subject to non-coaxial strain and simple shear. Associating these structures with the AIS' surface velocity field reveals (i) ice residence times of ~ 2500 to 18 500 years, and (ii) undeformed flow-line sets for all major flow units analysed except the Kamb Ice Stream and the Institute and Möller Ice Stream areas. Although it is unclear how long it takes for these features to form and decay, we infer that the major ice-flow and ice-velocity configuration of the ice sheet may have remained largely unchanged for several thousand years, and possibly even since the end of the last glacial cycle. This conclusion has implications for our understanding of the long-term landscape evolution of Antarctica, including large-scale patterns of glacial erosion and deposition.

  2. Optical detection and characterization of ice crystals in LACIS

    NASA Astrophysics Data System (ADS)

    Kiselev, Alexei; Clau, Tina; Niedermeier, Dennis; Hartmann, Susan; Wex, Heike; Stratmann, Frank

    2010-05-01

    Tropospheric ice and mixed phase clouds are an integral part of the earth system and their microphysical and radiative properties are strongly coupled e.g. through the complexities of the ice nucleation process. Therefore the investigation of influences of different aerosol particles which act as ice nuclei (IN) on the freezing behaviour of cloud droplets is important and still poses unresolved questions. The Leipzig Aerosol and Cloud Interaction Simulator (LACIS) is used to investigate the IN activity of different natural and artificial aerosol particles (mineral dust, soot etc.) in heterogeneous freezing processes (immersion or deposition freezing). A critical part of LACIS is the particle detection system allowing for size-resolved counting of activated seed particles and discrimination between ice crystals and water droplets. Recently, two instruments have been developed to provide these measurements at the LACIS facility. The Thermally-stabilized Optical Particle Spectrometer (TOPS) is measuring the particle size based on the intensity of light scattered by individual particles into a near-forward (15 to 45) direction. Two symmetrical forward scattering channels allow for optical determination of the sensing volume, thus reducing the coincidence counting error and the edge zone effect. The backscatter channel (162 to 176) equipped with a rotatable cross polarizer allows for establishing the change in linear polarization state of the scattered light. The backscatter elevation angle is limited so that the linear depolarization of light scattered by spherical particles of arbitrary size is zero. Any detectable signal in the depolarization channel can be therefore attributed to non-spherical particles (ice crystals). With consideration of the signal in the backscatter channel the separate counting of water drops and ice particle is possible. The Leipzig Ice Scattering Apparatus (LISA) is a modified version of the Small Ice Detector (SID3), developed at the Science and Technology Research Institute at the University of Hertfordshire, UK. The SID instruments have been developed primarily as wing-mounted systems for airborne studies of cloud ice particles. SID3 records the forward scattered light pattern with high angular resolution using an intensified CCD (780 by 582 pixels) at a rate of 20 images per second. In addition to the SID3 capabilities, LISA is able to measure the circular depolarization ratio in the range of scattering angles from 166 to 172. Whereas particle size, shape and orientation are characterized by the angular distribution of forward-scattered light, the measured value of the circular depolarization can be used to validate the existing theoretical models of light scattering by irregular particles (RTDF, GSVM, T-Matrix, DDA). The first measurements done at the LACIS facility have demonstrated a promising sensitivity of LISA's depolarization channel to the shape of ice crystals. Results showed an increase of the mean circular depolarization ratio from 1.5 (characteristic for the liquid water droplets above 3 m) to 2.5 for the "just frozen" almost-spherical droplets in the same size range. The presentation will describe details of instruments set up and present some exemplary results from experiments carried out at LACIS and AIDA (KIT) facilities.

  3. Inorganic Crystal Structure Database (ICSD)

    National Institute of Standards and Technology Data Gateway

    SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD) (PC database for purchase)   The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe(FIZ) and the National Institute of Standards and Technology (NIST). The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 140,000 entries and covering the literature from 1915 to the present.

  4. A Flexible Parameterization for Shortwave Optical Properties of Ice Crystals

    NASA Technical Reports Server (NTRS)

    VanDiedenhoven, Bastiaan; Ackerman, Andrew S.; Cairns, Brian; Fridlind, Ann M.

    2014-01-01

    A parameterization is presented that provides extinction cross section sigma (sub e), single-scattering albedo omega, and asymmetry parameter (g) of ice crystals for any combination of volume, projected area, aspect ratio, and crystal distortion at any wavelength in the shortwave. Similar to previous parameterizations, the scheme makes use of geometric optics approximations and the observation that optical properties of complex, aggregated ice crystals can be well approximated by those of single hexagonal crystals with varying size, aspect ratio, and distortion levels. In the standard geometric optics implementation used here, sigma (sub e) is always twice the particle projected area. It is shown that omega is largely determined by the newly defined absorption size parameter and the particle aspect ratio. These dependences are parameterized using a combination of exponential, lognormal, and polynomial functions. The variation of (g) with aspect ratio and crystal distortion is parameterized for one reference wavelength using a combination of several polynomials. The dependences of g on refractive index and omega are investigated and factors are determined to scale the parameterized (g) to provide values appropriate for other wavelengths. The parameterization scheme consists of only 88 coefficients. The scheme is tested for a large variety of hexagonal crystals in several wavelength bands from 0.2 to 4 micron, revealing absolute differences with reference calculations of omega and (g) that are both generally below 0.015. Over a large variety of cloud conditions, the resulting root-mean-squared differences with reference calculations of cloud reflectance, transmittance, and absorptance are 1.4%, 1.1%, and 3.4%, respectively. Some practical applications of the parameterization in atmospheric models are highlighted.

  5. The Growth of Ice Crystals by Molecular Diffusion.

    NASA Astrophysics Data System (ADS)

    Youk, Hyun; List, Roland; Ola, Theophilus

    2006-06-01

    The mass transfer of water molecules by diffusion onto ice particles is best described by their Sherwood number (Sh), a dimensionless quantity, which combines molecular and convective effects and depends on the airflow as represented by the Reynolds number (Re). While Sh (Re > 0) has been previously measured in experiments for typical crystal shapes, the limiting case of pure molecular diffusion (Sh0) for zero flow with Re = 0 is not known well and needs independent determination.The direct numerical solution of the controlling Laplace equation links diffusion with electric fields through the electrostatic analogy. It will be solved for the electrostatic potential V around a crystal-shaped conductor of capacitance C. The results will then be converted by similarity theory. This led to the first numerical determination of Sh0 for hexagonal plates, hexagonal columns, stellar crystals, capped columns, and broad-branched crystals. The new data represent another necessary step in the formulation of an experiment-based theory of the growth of freely falling ice crystals in the atmosphere.A discrete version of Gauss's flux law is developed to compute the flux generated by a crystal-shaped conductor in a finite Cartesian grid box, using a Gauss Seidel iterative scheme. This method is general and can be applied to compute Sh0 for any rectilinear shapes to any degree of accuracy. The dimensionless mass transfer by molecular diffusion, Sh0, is identical to the diffusion of heat characterized by the Nusselt number Nu0.


  6. Ice island structure and drilling method

    SciTech Connect

    Bishop, G.H.

    1984-06-26

    An off-shore ice island structure for location over a submerged drill site in waters which normally freeze in winter. The structure includes a buoyant protective caisson which freezes in position over the drill site upon onset of winter. A barge floats on water kept unfrozen within the caisson, and is connected to the caisson so it can be swivelled generally about a vertical axis to adjust the circumferential location of the drilling axis of drilling apparatus carried on the barge. The drilling apparatus is movable relative to the barge to enable further adjustment of the drilling axis location. The arrangement enables the drilling axis to be maintained in substantial vertical alignment with the drill site despite movement of the caisson caused by the surrounding shelf ice. The caisson is part of an ice island structure whose mass is built up by successive flooding and freezing steps to ground it on the sea bed. The capability for fixing the location of the drilling axis despite shelf ice movement permits drilling operations to commence long prior to grounding of the ice island. Various arrangements are disclosed for moving the barge from within the caisson for reuse at another drill site.

  7. Crystal structure of propaquizafop

    PubMed Central

    Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho

    2014-01-01

    The title compound, C22H22ClN3O5 {systematic name: 2-(propan-2-ylideneaminooxy)ethyl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionate}, is a herbicide. The asymmetric unit comprises two independent molecules in which the dihedral angles between the phenyl ring and the quinoxaline ring plane are 75.93?(7) and 82.77?(8). The crystal structure features CH?O, CH?N, and CH?Cl hydrogen bonds, as well as weak ?? interactions [ring-centroid separation = 3.782?(2) and 3.5952?(19)?], resulting in a three-dimensional architecture. PMID:25553037

  8. Crystal Structures of Phosphoketolase

    PubMed Central

    Suzuki, Ryuichiro; Katayama, Takane; Kim, Byung-Jun; Wakagi, Takayoshi; Shoun, Hirofumi; Ashida, Hisashi; Yamamoto, Kenji; Fushinobu, Shinya

    2010-01-01

    Thiamine diphosphate (ThDP)-dependent enzymes are ubiquitously present in all organisms and catalyze essential reactions in various metabolic pathways. ThDP-dependent phosphoketolase plays key roles in the central metabolism of heterofermentative bacteria and in the pentose catabolism of various microbes. In particular, bifidobacteria, representatives of beneficial commensal bacteria, have an effective glycolytic pathway called bifid shunt in which 2.5 mol of ATP are produced per glucose. Phosphoketolase catalyzes two steps in the bifid shunt because of its dual-substrate specificity; they are phosphorolytic cleavage of fructose 6-phosphate or xylulose 5-phosphate to produce aldose phosphate, acetyl phosphate, and H2O. The phosphoketolase reaction is different from other well studied ThDP-dependent enzymes because it involves a dehydration step. Although phosphoketolase was discovered more than 50 years ago, its three-dimensional structure remains unclear. In this study we report the crystal structures of xylulose 5-phosphate/fructose 6-phosphate phosphoketolase from Bifidobacterium breve. The structures of the two intermediates before and after dehydration (α,β-dihydroxyethyl ThDP and 2-acetyl-ThDP) and complex with inorganic phosphate give an insight into the mechanism of each step of the enzymatic reaction. PMID:20739284

  9. The Influence of Radiation on Ice Crystal Spectrum in the Upper Troposphere

    NASA Technical Reports Server (NTRS)

    Zeng, Xiping

    2008-01-01

    This theoretical study is carried out to investigate the effect of radiation on ice crystal spectrum in the upper troposphere. First, an explicit expression is obtained for the ice crystal growth rate that takes account of radiative and kinetic effects. Second, the expression is used to quantitatively analyze how radiation broadens the ice crystal spectrum and then reveal a new precipitation mechanism in the upper troposphere and the stratosphere. Third, the radiative effect is used to explain the subvisual clouds near the tropopause.

  10. Photonic Crystal Laser Accelerator Structures

    SciTech Connect

    Cowan, Benjamin M

    2003-05-21

    Photonic crystals have great potential for use as laser-driven accelerator structures. A photonic crystal is a dielectric structure arranged in a periodic geometry. Like a crystalline solid with its electronic band structure, the modes of a photonic crystal lie in a set of allowed photonic bands. Similarly, it is possible for a photonic crystal to exhibit one or more photonic band gaps, with frequencies in the gap unable to propagate in the crystal. Thus photonic crystals can confine an optical mode in an all-dielectric structure, eliminating the need for metals and their characteristic losses at optical frequencies. We discuss several geometries of photonic crystal accelerator structures. Photonic crystal fibers (PCFs) are optical fibers which can confine a speed-of-light optical mode in vacuum. Planar structures, both two- and three-dimensional, can also confine such a mode, and have the additional advantage that they can be manufactured using common microfabrication techniques such as those used for integrated circuits. This allows for a variety of possible materials, so that dielectrics with desirable optical and radiation-hardness properties can be chosen. We discuss examples of simulated photonic crystal structures to demonstrate the scaling laws and trade-offs involved, and touch on potential fabrication processes.

  11. Microphysical Ice Crystal Properties in Mid-Latitude Frontal Cirrus

    NASA Astrophysics Data System (ADS)

    Schlage, Romy; Jurkat, Tina; Voigt, Christiane; Minikin, Andreas; Weigel, Ralf; Molleker, Sergej; Klingebiel, Marcus; Borrmann, Stephan; Luebke, Anna; Krämer, Martina; Kaufmann, Stefan; Schäfler, Andreas

    2015-04-01

    Cirrus clouds modulate the climate by reflection of shortwave solar radiation and trapping of longwave terrestrial radiation. Their net radiative effect can be positive or negative depending on atmospheric and cloud parameters including ice crystal number density, size and shape. Latter microphysical ice crystal properties have been measured during the mid-latitude cirrus mission ML-CIRRUS with a set of cloud instruments on the new research aircraft HALO. The mission took place in March/April 2014 with 16 flights in cirrus formed above Europe and the Atlantic. The ice clouds were encountered at altitudes from 7 to 14 km in the typical mid-latitude temperature range. A focus of the mission was the detection of frontal cirrus linked to warm conveyor belts (WCBs). Within WCBs, water vapor is transported in the warm sector of an extra-tropical cyclone from the humid boundary layer to the upper troposphere. Cirrus cloud formation can be triggered in the WCB outflow region at moderate updraft velocities and additionally at low updrafts within the high pressure system linked to the WCB. Due to their frequent occurrence, WCBs represent a major source for regions of ice supersaturation and cirrus formation in the mid-latitudes. Here, we use data from the Cloud and Aerosol Spectrometer with detection for POLarization (CAS-POL) and the Cloud Combination Probe (CCP), combining a Cloud Droplet Probe (CDP) and a greyscale Cloud Imaging Probe (CIPgs) to investigate the ice crystal distribution in the size range from 0.5 µm to 1 mm. We derive microphysical cirrus properties in mid-latitude warm front cirrus. Further, we investigate their variability and their dependence on temperature and relative humidity. Finally, we compare the microphysical properties of these frontal cirrus to cirrus clouds that formed at low updrafts within high pressure systems or at high updraft velocities in lee waves. We quantify statistically significant differences in cirrus properties formed in these various meteorological regimes. Our studies of mid-latitude cirrus clouds help to better understand their radiative properties in order to assess their impact on climate.

  12. Interference phenomena at backscattering by ice crystals of irregular shape

    NASA Astrophysics Data System (ADS)

    Konoshonkin, Alexander V.; Kustova, Natalia V.; Borovoi, Anatoli G.

    2015-11-01

    It is shown that light backscattering by hexagonal ice crystals of cirrus clouds is formed by both diffraction and interference phenomena. Diffraction determines the angular width of the backscattering peak and interference produces the interference rings inside the peak. By use of a simplest model for distortion of the pristine hexagonal shape, we show that the shape distortion leads to both oscillations of the scattering (Mueller) matrix within the backscattering peak and to a strong increase of the depolarization, color, and lidar ratios needed for interpretation of lidar signals.

  13. Interference phenomena at backscattering by ice crystals of cirrus clouds.

    PubMed

    Borovoi, Anatoli; Kustova, Natalia; Konoshonkin, Alexander

    2015-09-21

    It is shown that light backscattering by hexagonal ice crystals of cirrus clouds is formed within the physical-optics approximation by both diffraction and interference phenomena. Diffraction determines the angular width of the backscattering peak and interference produces the interference rings inside the peak. By use of a simple model for distortion of the pristine hexagonal shape, we show that the shape distortion leads to both oscillations of the scattering (Mueller) matrix within the backscattering peak and to a strong increase of the depolarization, color, and lidar ratios needed for interpretation of lidar signals. PMID:26406659

  14. Atmospheric ice crystals over complex terrain: Pure ice cloud conditions observed in CLACE2013 at Jungfraujoch, Switzerland

    NASA Astrophysics Data System (ADS)

    Schlenczek, Oliver; Fugal, Jacob P.; Bower, Keith N.; Crosier, Jonathan; Flynn, Michael J.; Henneberger, Jan; Krieger, Ulrich K.; Lloyd, Gary; Borrmann, Stephan

    2015-04-01

    The CLACE2013 field campaign took place in January and February 2013 at the High Alpine Research Station, Jungfraujoch, in Switzerland. During this field campaign some events of atmospheric ice crystals in the absence of supercooled water droplets were observed. These included precipitation events from a cloud above and also ice crystals which likely formed in-situ under ice supersaturated conditions similar to "diamond-dust" events. From each event, approx. 1 hour of holographic measurements has been analysed (~1800 images with a 36x24x350 mm3 or ~0.3 L sample volume each). Ice crystals are detected and classified according to their shape to distinguish between different particle habit classes (e.g. columns and needles, plates, irregular crystals) and with this method, drifting snow and ice particles formed in-situ can be distinguished to a certain degree. The major axis length of detected ice particles varied between some tens of microns up to a few millimetres. Size distributions will be shown partitioned by crystal habit. Preliminary results show these ice particles appear similar to diamond dust events observed in Antarctica. For clarification of the meteorological conditions, we use the meteorological parameters from several instruments measured at the site as well as data from additional cloud hydrometeor probes and a ceilometer.

  15. The role of crystal polarity in alpha-amino acid crystals for induced nucleation of ice.

    PubMed

    Gavish, M; Wang, J L; Eisenstein, M; Lahav, M; Leiserowitz, L

    1992-05-01

    The hydrophobic faces of single crystals of a series of pairs of racemic and chiral-resolved hydrophobic alpha-amino acids were used as a substrate, onto which water vapor has been cooled to freezing. The morphologies and molecular packing arrangements within each crystal pair are similar but only one of each pair exhibits a polar axis, parallel to the hydrophobic face exposed to water. Those crystals that have a polar axis induce a freezing point higher by 4 degrees to 5 degrees C than the corresponding crystals that do not have a polar axis. The results are interpreted in terms of an electric field mechanism that helps align the water molecules into ice-like clusters en route to crystallization. PMID:1589763

  16. Crystallization of CO2 ice at astronomical conditions

    NASA Astrophysics Data System (ADS)

    Escribano, R. M.; Munoz-Caro, G.; Cruz-Diaz, G.; Mate, B.; Rodriguez-Lazcano, Y.

    2013-12-01

    Carbon dioxide is, after water and comparable to carbon monoxide, one of the most abundant frozen molecular species observed in the lines of sight towards many astrophysical media. We present here an experimental and theoretical investigation on carbon dioxide ices, generated in the lab in a range of temperature, density, amorphicity, and growing conditions (1), and simulated via high level theoretical calculations. Amorphous CO2 ice was generated at CAB by deposition onto a CsI substrate at 8 K under ultrahigh vacuum conditions in the 10-11 mbar range. The pressure increase used for the deposition of CO2 was very low, 10-9 mbar, to enable the formation of highly amorphous CO2 ice, at very low deposition rate. The transmittance infrared spectra, collected at several stages of sample growth, from 20 to 360 monolayers, are shown in the Figure. In a different set of experiments performed at IEM, the morphology of the amorphous CO2 ice has been studied using reflexion-absorption infrared (RAIR) spectroscopy. Calculated spectra of amorphous CO2 ice are obtained using the SIESTA code (2). In a first step, crystalline structures are processed by molecular dynamics to generate amorphous samples, which are subsequently relaxed until an equilibrium configuration is reached. The vibrational spectra of the amorphous solids are then calculated. The spectra of amorphous ice can change significantly depending on the density of the sample. An IR band, red-shifted with respect to ?3, has been identified as a witness of pure and amorphous CO2 ice. It vanishes when the sample becomes crystalline, either by temperature increase or by accumulation of increasing number of layers. The absence of this band in the observed spectra of solid CO2 is an indication that there is no pure and amorphous CO2 ice in inter- and circumstellar mantles References 1. Escribano, R., Muoz Caro, G., Cruz-Daz, G.A. Rodrguez-Lazcano, Y. and Mat, B., PNAS, accepted for publication, July 2013.. 2. Ordejn, P., Artacho, E., Soler, J.M., Phys. Rev. B, 53, R10441 (1996). Transmission spectra of CO2 ice samples deposited at 8 K, for increasing thickness expressed as monolayer coverage. Spectral regions of ?3 (stretching mode) and ?2 (bending mode), are shown on the left- and right-hand panels, respectively.

  17. Demonstration of Crystal Structure.

    ERIC Educational Resources Information Center

    Neville, Joseph P.

    1985-01-01

    Describes an experiment where equal parts of copper and aluminum are heated then cooled to show extremely large crystals. Suggestions are given for changing the orientation of crystals by varying cooling rates. Students are more receptive to concepts of microstructure after seeing this experiment. (DH)

  18. Polar nephelometer for light-scattering measurements of ice crystals.

    PubMed

    Barkey, B; Liou, K N

    2001-02-15

    We report on a small, lightweight polar nephelometer for the measurement of the light-scattering properties of cloud particles, specifically designed for use on a balloonborne platform in cirrus cloud conditions. The instrument consists of 33 fiber-optic light guides positioned in a two-dimensional plane from 5 degrees to 175 degrees that direct the scattered light to photodiode detectors-amplifier units. The system uses an onboard computer and data acquisition card to collect and store the measured signals. The instrument's calibration is tested by measurement of light scattered into a two-dimensional plane from small water droplets generated by an ultrasonic humidifier. Excellent comparisons between the measured water-droplet scattering properties and expectations generated by Mie calculation are shown. The measured scattering properties of ice crystals generated in a cold chamber also compare reasonably well with the theoretical results based on calculations from a unified theory of light scattering by ice crystals that use the particle size distribution measured in the chamber. PMID:18033557

  19. Light Scattering by Ice Crystals Containing Air Bubbles

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Panetta, R. L.; Yang, P.; Bi, L.

    2014-12-01

    The radiative effects of ice clouds are often difficult to estimate accurately, but are very important for interpretation of observations and for climate modeling. Our understanding of these effects is primarily based on scattering calculations, but due to the variability in ice habit it is computationally difficult to determine the required scattering and absorption properties, and the difficulties are only compounded by the need to include consideration of air and carbon inclusions of the sort frequently observed in collected samples. Much of the previous work on effects of inclusions in ice particles on scattering properties has been conducted with variants of geometric optics methods. We report on simulations of scattering by ice crystals with enclosed air bubbles using the pseudo-spectral time domain method (PSTD) and improved geometric optics method (IGOM). A Bouncing Ball Model (BBM) is proposed as a parametrization of air bubbles, and the results are compared with Monte Carlo radiative transfer calculations. Consistent with earlier studies, we find that air inclusions lead to a smoothing of variations in the phase function, weakening of halos, and a reduction of backscattering. We extend these studies by examining the effects of the particular arrangement of a fixed number of bubbles, as well as the effects of splitting a given number of bubbles into a greater number of smaller bubbles with the same total volume fraction. The result shows that the phase function will not change much for stochastic distributed air bubbles. It also shows that local maxima of phase functions are smoothed out for backward directions, when we break bubbles into small ones, single big bubble scatter favors more forward scattering than multi small internal scatters.

  20. Quantifying sensitivities of ice crystal number and sources of ice crystal number variability in CAM 5.1 using the adjoint of a physically based cirrus formation parameterization

    NASA Astrophysics Data System (ADS)

    Sheyko, B. A.; Sullivan, S. C.; Morales, R.; Capps, S. L.; Barahona, D.; Shi, X.; Liu, X.; Nenes, A.

    2015-04-01

    We present the adjoint of a cirrus formation parameterization that computes the sensitivity of ice crystal number concentration to updraft velocity, aerosol, and ice deposition coefficient. The adjoint is driven by simulations from the National Center for Atmospheric Research Community Atmosphere Model version 5.1 CAM 5.1 to understand the sensitivity of formed ice crystal number concentration to 13 variables and quantify which contribute to its variability. Sensitivities of formed ice crystal number concentration to updraft velocity, sulfate number, and is sufficient but sulfate number concentration is low, indicating a sulfate-limited regime. Outside of the tropics, competition between homogeneous and heterogeneous nucleation may shift annually averaged sensitivities to higher magnitudes, when infrequent strong updrafts shift crystal production away from purely heterogeneous nucleation. Outside the tropics, updraft velocity is responsible for approximately 52.70% of the ice crystal number variability. In the tropics, sulfate number concentration and updraft jointly control variability in formed crystal number concentration. Insoluble aerosol species play a secondary, but still important, role in influencing the variability in crystal concentrations, with coarse-mode dust being the largest contributor at nearly 50% in certain regions. On a global scale, more than 95% of the temporal variability in crystal number concentration can be described by temperature, updraft velocity, sulfate number, and coarse-mode dust number concentration.

  1. Crystal structure determination of Efavirenz

    NASA Astrophysics Data System (ADS)

    Popeneciu, Horea; Tripon, Carmen; Borodi, Gheorghe; Pop, Mihaela Maria; Dumitru, Ristoiu

    2015-12-01

    Needle-shaped single crystals of the title compound, C14H9ClF3NO2, were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring.

  2. Tropical tropopause ice clouds: a dynamic approach to the mystery of low crystal numbers

    NASA Astrophysics Data System (ADS)

    Spichtinger, P.; Krmer, M.

    2013-10-01

    The occurrence of high, persistent ice supersaturation inside and outside cold cirrus in the tropical tropopause layer (TTL) remains an enigma that is intensely debated as the "ice supersaturation puzzle". However, it was recently confirmed that observed supersaturations are consistent with very low ice crystal concentrations, which is incompatible with the idea that homogeneous freezing is the major method of ice formation in the TTL. Thus, the tropical tropopause "ice supersaturation puzzle" has become an "ice nucleation puzzle". To explain the low ice crystal concentrations, a number of mainly heterogeneous freezing methods have been proposed. Here, we reproduce in situ measurements of frequencies of occurrence of ice crystal concentrations by extensive model simulations, driven by the special dynamic conditions in the TTL, namely the superposition of slow large-scale updraughts with high-frequency short waves. From the simulations, it follows that the full range of observed ice crystal concentrations can be explained when the model results are composed from scenarios with consecutive heterogeneous and homogeneous ice formation and scenarios with pure homogeneous ice formation occurring in very slow (< 1 cm s-1) and faster (> 1 cm s-1) large-scale updraughts, respectively. This statistical analysis shows that about 80% of TTL cirrus can be explained by "classical" homogeneous ice nucleation, while the remaining 20% stem from heterogeneous and homogeneous freezing occurring within the same environment. The mechanism limiting ice crystal production via homogeneous freezing in an environment full of gravity waves is the shortness of the gravity waves, which stalls freezing events before a higher ice crystal concentration can be formed.

  3. Microfluidic experiments reveal that antifreeze proteins bound to ice crystals suffice to prevent their growth.

    PubMed

    Celik, Yeliz; Drori, Ran; Pertaya-Braun, Natalya; Altan, Aysun; Barton, Tyler; Bar-Dolev, Maya; Groisman, Alex; Davies, Peter L; Braslavsky, Ido

    2013-01-22

    Antifreeze proteins (AFPs) are a subset of ice-binding proteins that control ice crystal growth. They have potential for the cryopreservation of cells, tissues, and organs, as well as for production and storage of food and protection of crops from frost. However, the detailed mechanism of action of AFPs is still unclear. Specifically, there is controversy regarding reversibility of binding of AFPs to crystal surfaces. The experimentally observed dependence of activity of AFPs on their concentration in solution appears to indicate that the binding is reversible. Here, by a series of experiments in temperature-controlled microfluidic devices, where the medium surrounding ice crystals can be exchanged, we show that the binding of hyperactive Tenebrio molitor AFP to ice crystals is practically irreversible and that surface-bound AFPs are sufficient to inhibit ice crystal growth even in solutions depleted of AFPs. These findings rule out theories of AFP activity relying on the presence of unbound protein molecules. PMID:23300286

  4. Microfluidic experiments reveal that antifreeze proteins bound to ice crystals suffice to prevent their growth

    PubMed Central

    Celik, Yeliz; Drori, Ran; Pertaya-Braun, Natalya; Altan, Aysun; Barton, Tyler; Bar-Dolev, Maya; Groisman, Alex; Davies, Peter L.; Braslavsky, Ido

    2013-01-01

    Antifreeze proteins (AFPs) are a subset of ice-binding proteins that control ice crystal growth. They have potential for the cryopreservation of cells, tissues, and organs, as well as for production and storage of food and protection of crops from frost. However, the detailed mechanism of action of AFPs is still unclear. Specifically, there is controversy regarding reversibility of binding of AFPs to crystal surfaces. The experimentally observed dependence of activity of AFPs on their concentration in solution appears to indicate that the binding is reversible. Here, by a series of experiments in temperature-controlled microfluidic devices, where the medium surrounding ice crystals can be exchanged, we show that the binding of hyperactive Tenebrio molitor AFP to ice crystals is practically irreversible and that surface-bound AFPs are sufficient to inhibit ice crystal growth even in solutions depleted of AFPs. These findings rule out theories of AFP activity relying on the presence of unbound protein molecules. PMID:23300286

  5. Modeling of Commercial Turbofan Engine With Ice Crystal Ingestion: Follow-On

    NASA Technical Reports Server (NTRS)

    Jorgenson, Philip C. E.; Veres, Joseph P.; Coennen, Ryan

    2014-01-01

    The occurrence of ice accretion within commercial high bypass aircraft turbine engines has been reported under certain atmospheric conditions. Engine anomalies have taken place at high altitudes that have been attributed to ice crystal ingestion, partially melting, and ice accretion on the compression system components. The result was degraded engine performance, and one or more of the following: loss of thrust control (roll back), compressor surge or stall, and flameout of the combustor. As ice crystals are ingested into the fan and low pressure compression system, the increase in air temperature causes a portion of the ice crystals to melt. It is hypothesized that this allows the ice-water mixture to cover the metal surfaces of the compressor stationary components which leads to ice accretion through evaporative cooling. Ice accretion causes a blockage which subsequently results in the deterioration in performance of the compressor and engine. The focus of this research is to apply an engine icing computational tool to simulate the flow through a turbofan engine and assess the risk of ice accretion. The tool is comprised of an engine system thermodynamic cycle code, a compressor flow analysis code, and an ice particle melt code that has the capability of determining the rate of sublimation, melting, and evaporation through the compressor flow path, without modeling the actual ice accretion. A commercial turbofan engine which has previously experienced icing events during operation in a high altitude ice crystal environment has been tested in the Propulsion Systems Laboratory (PSL) altitude test facility at NASA Glenn Research Center. The PSL has the capability to produce a continuous ice cloud which is ingested by the engine during operation over a range of altitude conditions. The PSL test results confirmed that there was ice accretion in the engine due to ice crystal ingestion, at the same simulated altitude operating conditions as experienced previously in flight. The computational tool was utilized to help guide a portion of the PSL testing, and was used to predict ice accretion could also occur at significantly lower altitudes. The predictions were qualitatively verified by subsequent testing of the engine in the PSL. In a previous study, analysis of select PSL test data points helped to calibrate the engine icing computational tool to assess the risk of ice accretion. This current study is a continuation of that data analysis effort. The study focused on tracking the variations in wet bulb temperature and ice particle melt ratio through the engine core flow path. The results from this study have identified trends, while also identifying gaps in understanding as to how the local wet bulb temperature and melt ratio affects the risk of ice accretion and subsequent engine behavior.

  6. Modeling of Commercial Turbofan Engine with Ice Crystal Ingestion; Follow-On

    NASA Technical Reports Server (NTRS)

    Jorgenson, Philip C. E.; Veres, Joseph P.; Coennen, Ryan

    2014-01-01

    The occurrence of ice accretion within commercial high bypass aircraft turbine engines has been reported under certain atmospheric conditions. Engine anomalies have taken place at high altitudes that have been attributed to ice crystal ingestion, partially melting, and ice accretion on the compression system components. The result was degraded engine performance, and one or more of the following: loss of thrust control (roll back), compressor surge or stall, and flameout of the combustor. As ice crystals are ingested into the fan and low pressure compression system, the increase in air temperature causes a portion of the ice crystals to melt. It is hypothesized that this allows the ice-water mixture to cover the metal surfaces of the compressor stationary components which leads to ice accretion through evaporative cooling. Ice accretion causes a blockage which subsequently results in the deterioration in performance of the compressor and engine. The focus of this research is to apply an engine icing computational tool to simulate the flow through a turbofan engine and assess the risk of ice accretion. The tool is comprised of an engine system thermodynamic cycle code, a compressor flow analysis code, and an ice particle melt code that has the capability of determining the rate of sublimation, melting, and evaporation through the compressor flow path, without modeling the actual ice accretion. A commercial turbofan engine which has previously experienced icing events during operation in a high altitude ice crystal environment has been tested in the Propulsion Systems Laboratory (PSL) altitude test facility at NASA Glenn Research Center. The PSL has the capability to produce a continuous ice cloud which is ingested by the engine during operation over a range of altitude conditions. The PSL test results confirmed that there was ice accretion in the engine due to ice crystal ingestion, at the same simulated altitude operating conditions as experienced previously in flight. The computational tool was utilized to help guide a portion of the PSL testing, and was used to predict ice accretion could also occur at significantly lower altitudes. The predictions were qualitatively verified by subsequent testing of the engine in the PSL. In a previous study, analysis of select PSL test data points helped to calibrate the engine icing computational tool to assess the risk of ice accretion. This current study is a continuation of that data analysis effort. The study focused on tracking the variations in wet bulb temperature and ice particle melt ratio through the engine core flow path. The results from this study have identified trends, while also identifying gaps in understanding as to how the local wet bulb temperature and melt ratio affects the risk of ice accretion and subsequent engine behavior.

  7. Comparing model and measured ice crystal concentrations in orographic clouds during the INUPIAQ campaign

    NASA Astrophysics Data System (ADS)

    Farrington, R. J.; Connolly, P. J.; Lloyd, G.; Bower, K. N.; Flynn, M. J.; Gallagher, M. W.; Field, P. R.; Dearden, C.; Choularton, T. W.

    2015-09-01

    This paper assesses the reasons for high ice number concentrations observed in orographic clouds by comparing in-situ measurements from the Ice NUcleation Process Investigation And Quantification field campaign (INUPIAQ) at Jungfraujoch, Switzerland (3570 m a.s.l.) with the Weather Research and Forecasting model (WRF) simulations over real terrain surrounding Jungfraujoch. During the 2014 winter field campaign, between the 20 January and 28 February, the model simulations regularly underpredicted the observed ice number concentration by 103 L-1. Previous literature has proposed several processes for the high ice number concentrations in orographic clouds, including an increased ice nuclei (IN) concentration, secondary ice multiplication and the advection of surface ice crystals into orographic clouds. We find that increasing IN concentrations in the model prevents the simulation of the mixed-phase clouds that were witnessed during the INUPIAQ campaign at Jungfraujoch. Additionally, the inclusion of secondary ice production upwind of Jungfraujoch into the WRF simulations cannot consistently produce enough ice splinters to match the observed concentrations. A surface flux of hoar crystals was included in the WRF model, which simulated ice concentrations comparable to the measured ice number concentrations, without depleting the liquid water content (LWC) simulated in the model. Our simulations therefore suggest that high ice concentrations observed in mixed-phase clouds at Jungfraujoch are caused by a flux of surface hoar crystals into the orographic clouds.

  8. Isoconfigurational molecular dynamics study of the kinetics of ice crystal growth.

    PubMed

    Rozmanov, Dmitri; Kusalik, Peter G

    2012-10-01

    Spontaneous self-assembling, such as formation of molecular crystals, is a fascinating topic for investigation. Ability to initiate and control such transformations promises numerous benefits, but our knowledge of underlying mechanisms of such processes is rather limited. The process of freezing of water is an excellent testing ground for such studies. In this paper we report the results of a systematic molecular dynamics study of ice growth at three different temperatures below the melting point initiated from a number of initial interface structures within the isoconfigurational ensemble. It is shown that a specific structure at a growing ice-water interface is able to affect the growth process over a time scale of 1-2 ns. This structural effect can be characterized in terms of relative growth propensities. On the basis of the differences in the shape between isoconfigurational rate distributions and the rate distribution typical of the specific temperature several different kinds of relative growth propensities have been identified. The initial interfacial configurations employed in this work have been assigned using the proposed classification and possible mechanisms of propensity realization have been suggested for selected cases. Results reported in this paper clearly indicate that local structure effects can have significant impact on tendency for a particular ice surface to grow (or melt). The structural effect on ordering propensities is, most probably, a more universal behaviour and might be expected to be seen in other similar problems such as, for example, protein folding. PMID:22903406

  9. Collecting, shipping, storing, and imaging snow crystals and ice grains with low-temperature scanning electron microscopy

    USGS Publications Warehouse

    Erbe, E.F.; Rango, A.; Foster, J.; Josberger, E.G.; Pooley, C.; Wergin, W.P.

    2003-01-01

    Methods to collect, transport, and store samples of snow and ice have been developed that enable detailed observations of these samples with a technique known as low-temperature scanning electron microscopy (LTSEM). This technique increases the resolution and ease with which samples of snow and ice can be observed, studied, and photographed. Samples are easily collected in the field and have been shipped to the electron microscopy laboratory by common air carrier from distances as far as 5,000 miles. Delicate specimens of snow crystals and ice grains survive the shipment procedures and have been stored for as long as 3 years without undergoing any structural changes. The samples are not subjected to the melting or sublimation artifacts. LTSEM allows individual crystals to be observed for several hours with no detectable changes. Furthermore, the instrument permits recording of photographs containing the parallax information necessary for three-dimensional imaging of the true shapes of snowflakes, snow crystals, snow clusters, ice grains, and interspersed air spaces. This study presents detailed descriptions of the procedures that have been used successfully in the field and the laboratory to collect, ship, store, and image snow crystals and ice grains. Published 2003 Wiley-Liss, Inc.

  10. Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface.

    TOXLINE Toxicology Bibliographic Information

    Howard EI; Blakeley MP; Haertlein M; Petit-Haertlein I; Mitschler A; Fisher SJ; Cousido-Siah A; Salvay AG; Popov A; Muller-Dieckmann C; Petrova T; Podjarny A

    2011-07-01

    Antifreeze proteins (AFPs) inhibit ice growth at sub-zero temperatures. The prototypical type-III AFPs have been extensively studied, notably by X-ray crystallography, solid-state and solution NMR, and mutagenesis, leading to the identification of a compound ice-binding surface (IBS) composed of two adjacent ice-binding sections, each which binds to particular lattice planes of ice crystals, poisoning their growth. This surface, including many hydrophobic and some hydrophilic residues, has been extensively used to model the interaction of AFP with ice. Experimentally observed water molecules facing the IBS have been used in an attempt to validate these models. However, these trials have been hindered by the limited capability of X-ray crystallography to reliably identify all water molecules of the hydration layer. Due to the strong diffraction signal from both the oxygen and deuterium atoms, neutron diffraction provides a more effective way to determine the water molecule positions (as D(2) O). Here we report the successful structure determination at 293 K of fully perdeuterated type-III AFP by joint X-ray and neutron diffraction providing a very detailed description of the protein and its solvent structure. X-ray data were collected to a resolution of 1.05 Å, and neutron Laue data to a resolution of 1.85 Å with a "radically small" crystal volume of 0.13 mm(3). The identification of a tetrahedral water cluster in nuclear scattering density maps has allowed the reconstruction of the IBS-bound ice crystal primary prismatic face. Analysis of the interactions between the IBS and the bound ice crystal primary prismatic face indicates the role of the hydrophobic residues, which are found to bind inside the holes of the ice surface, thus explaining the specificity of AFPs for ice versus water.

  11. Neutron structure of type-III antifreeze protein allows the reconstruction of AFP-ice interface.

    PubMed

    Howard, Eduardo I; Blakeley, Matthew P; Haertlein, Michael; Petit-Haertlein, Isabelle; Mitschler, Andre; Fisher, Stuart J; Cousido-Siah, Alexandra; Salvay, Andrés G; Popov, Alexandre; Muller-Dieckmann, Christoph; Petrova, Tatiana; Podjarny, Alberto

    2011-01-01

    Antifreeze proteins (AFPs) inhibit ice growth at sub-zero temperatures. The prototypical type-III AFPs have been extensively studied, notably by X-ray crystallography, solid-state and solution NMR, and mutagenesis, leading to the identification of a compound ice-binding surface (IBS) composed of two adjacent ice-binding sections, each which binds to particular lattice planes of ice crystals, poisoning their growth. This surface, including many hydrophobic and some hydrophilic residues, has been extensively used to model the interaction of AFP with ice. Experimentally observed water molecules facing the IBS have been used in an attempt to validate these models. However, these trials have been hindered by the limited capability of X-ray crystallography to reliably identify all water molecules of the hydration layer. Due to the strong diffraction signal from both the oxygen and deuterium atoms, neutron diffraction provides a more effective way to determine the water molecule positions (as D(2) O). Here we report the successful structure determination at 293 K of fully perdeuterated type-III AFP by joint X-ray and neutron diffraction providing a very detailed description of the protein and its solvent structure. X-ray data were collected to a resolution of 1.05 Å, and neutron Laue data to a resolution of 1.85 Å with a "radically small" crystal volume of 0.13 mm(3). The identification of a tetrahedral water cluster in nuclear scattering density maps has allowed the reconstruction of the IBS-bound ice crystal primary prismatic face. Analysis of the interactions between the IBS and the bound ice crystal primary prismatic face indicates the role of the hydrophobic residues, which are found to bind inside the holes of the ice surface, thus explaining the specificity of AFPs for ice versus water. PMID:21472814

  12. Self-oscillatory ice crystal growth in antifreeze protein (AFP) and glycoprotein (AFGP) solutions

    NASA Astrophysics Data System (ADS)

    Zepeda, Salvador; Nakaya, Hiroyuki; Uda, Yukihiro; Yokoyama, Etsuro; Furukawa, Yoshinori

    2006-03-01

    AFPs and AFGPs allow many organisms including fish, plants and insects to survive sub-freezing environments. They occur in a wide range of compositions and structure, but to some extent they all accomplish the same functions: they suppress the freezing temperature, inhibit recrystallization, and modify ice crystal growth. A complete description of the AFGP/AFP surface mechanism as well as other ice surface phenomenon has eluded scientists primarily due to a lack of direct surface studies. We study ice crystal growth in AFGP and AFP solutions with phase contrast microscopy during free solution growth under various conditions including microgravity. Free-solution growth experiments show an anisotropic self-oscillatory growth mode of the steps and interface near the freezing temperature and enhancement of the growth rates in the c-axis. These results contradict the previous ?tight-binding? mechanism thought to be responsible for antifreeze function. To study the effects of temperature driven convective flows on the interface kinetics, microgravity experiments were performed in a jet airplane during a parabolic flight path. Step propagation on the basal plane slows down considerably when entering the microgravity condition and reaches a critical condition just below 0.2g.

  13. Crystal structure of oryzalin

    PubMed Central

    Kang, Gihaeng; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2015-01-01

    The title compound, C12H18N4O6S (systematic name: 4-di­propyl­amino-3,5-di­nitro­benzene­sulfonamide), is a sulfonamide with herbicidal properties marketed as oryzalin. The dihedral angles between the benzene ring and the mean planes of the nitro groups are 26.15 (11) and 54.80 (9)°. The propyl arms of the di­propyl­amino substituent lie on opposite sides of this ring plane. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds generate a three-dimensional network. PMID:26090208

  14. Direct Visualization of Spruce Budworm Antifreeze Protein Interacting with Ice Crystals: Basal Plane Affinity Confers Hyperactivity

    PubMed Central

    Pertaya, Natalya; Marshall, Christopher B.; Celik, Yeliz; Davies, Peter L.; Braslavsky, Ido

    2008-01-01

    Antifreeze proteins (AFPs) protect certain organisms from freezing by adhering to ice crystals, thereby preventing their growth. All AFPs depress the nonequilibrium freezing temperature below the melting point; however AFPs from overwintering insects, such as the spruce budworm (sbw) are 10–100 times more effective than most fish AFPs. It has been proposed that the exceptional activity of these AFPs depends on their ability to prevent ice growth at the basal plane. To test the hypothesis that the hyperactivity of sbwAFP results from direct affinity to the basal plane, we fluorescently tagged sbwAFP and visualized it on the surface of ice crystals using fluorescence microscopy. SbwAFP accumulated at the six prism plane corners and the two basal planes of hexagonal ice crystals. In contrast, fluorescently tagged fish type III AFP did not adhere to the basal planes of a single-crystal ice hemisphere. When ice crystals were grown in the presence of a mixture of type III AFP and sbwAFP, a hybrid crystal shape was produced with sbwAFP bound to the basal planes of truncated bipyramidal crystals. These observations are consistent with the blockage of c-axial growth of ice as a result of direct interaction of sbwAFP with the basal planes. PMID:18339740

  15. Ice Growth Measurements from Image Data to Support Ice-Crystal and Mixed-Phase Accretion Testing

    NASA Technical Reports Server (NTRS)

    Struk, Peter, M; Lynch, Christopher, J.

    2012-01-01

    This paper describes the imaging techniques as well as the analysis methods used to measure the ice thickness and growth rate in support of ice-crystal icing tests performed at the National Research Council of Canada (NRC) Research Altitude Test Facility (RATFac). A detailed description of the camera setup, which involves both still and video cameras, as well as the analysis methods using the NASA Spotlight software, are presented. Two cases, one from two different test entries, showing significant ice growth are analyzed in detail describing the ice thickness and growth rate which is generally linear. Estimates of the bias uncertainty are presented for all measurements. Finally some of the challenges related to the imaging and analysis methods are discussed as well as methods used to overcome them.

  16. Understanding cirrus ice crystal number variability for different heterogeneous ice nucleation spectra

    NASA Astrophysics Data System (ADS)

    Sullivan, S. C.; Morales Betancourt, R.; Barahona, D.; Nenes, A.

    2015-08-01

    Along with minimizing parameter uncertainty, understanding the cause of temporal and spatial variability of nucleated ice crystal number, Ni, is key to improving the representation of cirrus clouds in climate models. To this end, sensitivities of Ni to input variables like aerosol number and diameter provide valuable information about nucleation regime and efficiency for a given model formulation. Here we use the adjoint model of the Barahona and Nenes cirrus formation parameterization to understand Ni variability for various ice-nucleating particle (INP) spectra. Inputs are generated with the Community Atmosphere Model version 5, and simulations are done with a theoretically-derived spectrum, a lab-based empirical spectrum, and two field-based empirical spectra that differ in the nucleation threshold for black carbon aerosol and in the active site density for dust. The magnitude and sign of Ni sensitivity to insoluble aerosol number can be directly linked to nucleation regime and efficiency of various INP. The lab-based spectrum calculates much higher INP efficiencies than field-based ones, which reveals a disparity in aerosol surface properties. Ni sensitivity to temperature tends to be low, due to the compensating effects of temperature on INP spectrum parameters; this low temperature sensitivity regime has been experimentally reported before but never unraveled as done here.

  17. Understanding cirrus ice crystal number variability for different heterogeneous ice nucleation spectra

    NASA Astrophysics Data System (ADS)

    Sullivan, Sylvia C.; Morales Betancourt, Ricardo; Barahona, Donifan; Nenes, Athanasios

    2016-03-01

    Along with minimizing parameter uncertainty, understanding the cause of temporal and spatial variability of the nucleated ice crystal number, Ni, is key to improving the representation of cirrus clouds in climate models. To this end, sensitivities of Ni to input variables like aerosol number and diameter provide valuable information about nucleation regime and efficiency for a given model formulation. Here we use the adjoint model of the adjoint of a cirrus formation parameterization (Barahona and Nenes, 2009b) to understand Ni variability for various ice-nucleating particle (INP) spectra. Inputs are generated with the Community Atmosphere Model version 5, and simulations are done with a theoretically derived spectrum, an empirical lab-based spectrum and two field-based empirical spectra that differ in the nucleation threshold for black carbon particles and in the active site density for dust. The magnitude and sign of Ni sensitivity to insoluble aerosol number can be directly linked to nucleation regime and efficiency of various INP. The lab-based spectrum calculates much higher INP efficiencies than field-based ones, which reveals a disparity in aerosol surface properties. Ni sensitivity to temperature tends to be low, due to the compensating effects of temperature on INP spectrum parameters; this low temperature sensitivity regime has been experimentally reported before but never deconstructed as done here.

  18. The origins of ice crystals measured in mixed phase clouds at High-Alpine site Jungfraujoch

    NASA Astrophysics Data System (ADS)

    Lloyd, G.; Choularton, T. W.; Bower, K. N.; Gallagher, M. W.; Connolly, P. J.; Flynn, M.; Farrington, R.; Crosier, J.; Schlenczek, O.; Fugal, J.; Henneberger, J.

    2015-07-01

    During the winter of 2013 and 2014 measurements of cloud microphysical properties over a five week period at the high Alpine site Jungfraujoch, Switzerland were carried out as part of the Cloud Aerosol Characterisation Experiments (CLACE) and the Ice Nucleation Process Investigation and Quantification project (INUPIAQ) Measurements of aerosol properties at a second, lower site, Schilthorn, Switzerland, were used as input for a primary ice nucleation scheme to predict ice nuclei concentrations at Jungfraujoch Frequent, rapid transitions in the ice and liquid properties of the clouds at Jungfraujoch were identified that led to large fluctuations in ice mass fractions over temporal scales of seconds to hours. During the measurement period we observed high concentrations of ice particles that exceeded 1000 L-1 at temperatures around -15 C, verified by multiple instruments These concentrations could not be explained using the usual primary ice nucleation schemes, which predicted ice nucleus concentrations several orders of magnitude smaller than the peak ice crystal number concentrations. Secondary ice production through the Hallet-Mossop process as a possible explanation was ruled out, as the cloud was rarely within the active temperature range for this process It is shown that other mechanisms of secondary ice particle production cannot explain the highest ice particle concentrations. We describe 4 possible mechanisms that could lead to high cloud ice concentrations generated from the snow covered surfaces surrounding the measurement site. Of these we show that hoar frost crystals generated at the cloud enveloped snow surface could be the most important source of cloud ice concentrations Blowing snow was also observed to make significant contributions at higher wind speeds when ice crystal concentrations were < 100 L-1.

  19. Ikaite crystal distribution in Arctic winter sea ice and implications for CO2 system dynamics

    NASA Astrophysics Data System (ADS)

    Rysgaard, S.; Søgaard, D. H.; Cooper, M.; Pućko, M.; Lennert, K.; Papakyriakou, T. N.; Wang, F.; Geilfus, N. X.; Glud, R. N.; Ehn, J.; McGinnnis, D. F.; Attard, K.; Sievers, J.; Deming, J. W.; Barber, D.

    2012-12-01

    The precipitation of ikaite (CaCO3·6H2O) in polar sea ice is critical to the efficiency of the sea ice-driven carbon pump and potentially important to the global carbon cycle, yet the spatial and temporal occurrence of ikaite within the ice is poorly known. We report unique observations of ikaite in unmelted ice and vertical profiles of ikaite abundance and concentration in sea ice for the crucial season of winter. Ice was examined from two locations: a 1 m thick land-fast ice site and a 0.3 m thick polynya site, both in the Young Sound area (74° N, 20° W) of NE Greenland. Ikaite crystals, ranging in size from a few µm to 700 µm were observed to concentrate in the interstices between the ice platelets in both granular and columnar sea ice. In vertical sea-ice profiles from both locations, ikaite concentration determined from image analysis, decreased with depth from surfaceice values of 700-900 µmol kg-1 ice (~ 25 × 106 crystals kg-1) to bottom-layer values of 100-200 µmol kg-1 ice (1-7 × 106 kg-1), all of which are much higher (4-10 times) than those reported in the few previous studies. Direct measurements of total alkalinity (TA) in surface layers fell within the same range as ikaite concentration whereas TA concentrations in bottom layers were twice as high. This depth-related discrepancy suggests interior ice processes where ikaite crystals form in surface sea ice layers and partly dissolved in bottom layers. From these findings and model calculations we relate sea ice formation and melt to observed pCO2 conditions in polar surface waters, and hence, the air-sea CO2 flux.

  20. Isomorph invariance of the structure and dynamics of classical crystals

    NASA Astrophysics Data System (ADS)

    Albrechtsen, Dan E.; Olsen, Andreas E.; Pedersen, Ulf R.; Schrder, Thomas B.; Dyre, Jeppe C.

    2014-09-01

    This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The crystals are studied in a classical-mechanical framework, which is generally a good description except significantly below melting. The existence of isomorphs for crystals is validated by simulations of particles interacting via the Lennard-Jones pair potential arranged into a face-centered cubic (fcc) crystalline structure; the slow vacancy-jump dynamics of a defective fcc crystal is also shown to be isomorph invariant. In contrast, a NaCl crystal model does not exhibit isomorph invariances. Other systems simulated, though in less detail, are the Wahnstrm binary Lennard-Jones crystal with the MgZn2 Laves crystal structure, monatomic fcc crystals of particles interacting via the Buckingham pair potential and via a purely repulsive pair potential diverging at a finite separation, an ortho-terphenyl molecular model crystal, and SPC/E hexagonal ice. Except for NaCl and ice, the crystals simulated all have isomorphs. Based on previous simulations of liquid models, we conjecture that crystalline solids with isomorphs include most or all formed by atoms or molecules interacting via metallic or van der Waals forces, whereas covalently bonded or hydrogen-bonded crystals are not expected to have isomorphs; crystals of ions or dipolar molecules constitute a limiting case for which isomorphs are only expected when the Coulomb interactions are relatively weak. We briefly discuss the consequences of the findings for theories of melting and crystallization.

  1. Ice-Crystallization Kinetics during Fuel-Cell Cold-Start

    NASA Astrophysics Data System (ADS)

    Dursch, Thomas James, Jr.

    Proton-exchange-membrane fuel cells (PEMFCs) show promise in automotive applications because of their high efficiency, high power density, and potentially low emissions. To be successful in automobiles, PEMFCs must permit rapid startup with minimal energy from subfreezing temperatures, known as cold-start. In a PEMFC, reduction of oxygen to water occurs in the cathode catalyst layer (CL). Under subfreezing conditions, water generated during startup solidifies and hinders access of gaseous oxygen to the catalytic sites in the cathode CL, severely inhibiting cell performance and potentially causing cell failure. Achieving cold-start is difficult in practice, due to potential flooding, sluggish reaction kinetics, durability loss, and rapid ice crystallization. Currently, however, few studies focus on the fundamentals of ice crystallization during cold-start. Elucidation of the mechanisms and kinetics of ice formation within PEMFC porous media is, therefore, critical to successful cell startup and high performance at low temperatures. First, an experimental method is presented for obtaining isothermal ice-crystallization kinetics in water-saturated gas-diffusion layers (GDLs). Ice formation is initially studied in the GDL because this layer retains a significant amount of product water during cold-start. Isothermal ice-crystallization and ice-nucleation rates are obtained in commercial Toray GDLs as functions of subcooling using differential scanning calorimetry (DSC). A nonlinear ice-crystallization rate expression is developed using Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory, in which the heat-transfer-limited growth rate is determined from the moving-boundary Stefan problem. Predicted ice-crystallization rates are in excellent agreement with experiment. A validated rate expression is thus available for predicting ice-crystallization kinetics in GDLs. Ice-crystallization kinetics is also considered under experimental settings similar to real PEMFC operating conditions where ice invariably forms non-isothermally. Non-isothermal ice-crystallization rates and ice-crystallization temperatures are obtained in water-saturated GDLs as a function of cooling rate. Our previously developed ice-crystallization rate expression is extended to non-isothermal crystallization to predict ice-crystallization kinetics at various cooling rates. For non-isothermal ice formation, we find that cooling rate has a negligible effect on the crystallization rate when crystallization times are much faster than the time to decrease the sample temperature by the subcooling. Therefore, a pseudo-isothermal method is proposed for non-isothermal crystallization kinetics using isothermal crystallization kinetics evaluated at the non-isothermal crystallization temperature. Catalyst layers also retain a significant amount of product water during cold-start. Accordingly, ice nucleation and growth in PEMFC CLs are investigated using isothermal DSC and compared to isothermal galvanostatic membrane-electrode assembly (MEA) cold-starts. Measured ice-crystallization and ice-nucleation rates follow expected trends from classical nucleation theory. Following our previous approach, a quantitative nonlinear ice-crystallization rate expression is developed from the JMAK framework. To validate ice-crystallization kinetics within PEMFCs, we further measure and predict MEA cell-failure time during isothermal galvanostatic cold-start. Using a simplified PEMFC isothermal cold-start continuum model, MEA cell-failure times predicted using the newly obtained rate expression are compared to that predicted using a traditional thermodynamics-based approach. From this comparison, conditions are identified under which including ice-crystallization kinetics is critical and to elucidate the impact of freezing kinetics on low-temperature PEMFC operation. During cold-start, the time for recovering cell performance strongly depends on the rate of melting residual ice by reactive heat generation. Non-isothermal ice melting in water-saturated GDLs is investigated using DSC with various heating rates. In all cases, ice-melting times decrease nonlinearly with increasing heating rate, whereas melting temperatures remain near the equilibrium melting temperature of bulk ice, demonstrating that melting is thermodynamic-based with a rate limited by heat transfer. Ice-melting endotherms are predicted from overall DSC energy balances coupled with a moving-boundary Stefan problem, where an ice-melting front within a GDL propagates with volume-averaged properties through an effective medium. Agreement between theory and experiment is excellent. Furthermore, an analytical expression is obtained for ice-melting time. Significantly, the new expression elucidates parameters controlling ice melting and allows for better design of both GDL materials and heating strategies to enhance the success of PEMFC cold-start.

  2. Crystal structure of pyriproxyfen.

    PubMed

    Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho

    2015-08-01

    In the title compound {systematic name: 4-phen-oxy-phenyl (RS)-2-[(pyridin-2-yl)-oxy]propyl ether}, C20H19NO3, which is a juvenile hormone mimic and insecticide, the dihedral angles between the plane of the central benene ring and those of the pendant pyridine ring and phenyl ring are 78.09?(6) and 82.14?(8), respectively. The conformation of the O-C-C-O linkage is gauche [torsion angle = -75.0?(2)]. In the crystal, weak aromatic ?-? stacking inter-actions [centroid-centroid separation = 3.8436?(13)?] and C-H?? inter-actions link adjacent mol-ecules, forming a three-dimensional network. PMID:26396811

  3. Crystal structure of pyriproxyfen

    PubMed Central

    Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho

    2015-01-01

    In the title compound {systematic name: 4-phenoxyphenyl (RS)-2-[(pyridin-2-yl)oxy]propyl ether}, C20H19NO3, which is a juvenile hormone mimic and insecticide, the dihedral angles between the plane of the central benene ring and those of the pendant pyridine ring and phenyl ring are 78.09?(6) and 82.14?(8), respectively. The conformation of the OCCO linkage is gauche [torsion angle = ?75.0?(2)]. In the crystal, weak aromatic ?? stacking interactions [centroidcentroid separation = 3.8436?(13)?] and CH?? interactions link adjacent molecules, forming a three-dimensional network. PMID:26396811

  4. Crystal structure of mandipropamid

    PubMed Central

    Park, Hyunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-01-01

    In the title compound, C23H22ClNO4 (systematic name: (RS)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide), an amide fungicide, the dihedral angle between the chlorobenzene and benzene rings is 65.36?(6). In the crystal, NH?O hydrogen bonds lead to zigzag supramolecular chains along the c axis (glide symmetry). These are connected into layers by CH?O and CH?? interactions; the layers stack along the a axis with no specific intermolecular interactions between them. PMID:26594445

  5. Crystal structure of mandipropamid.

    PubMed

    Park, Hyunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-10-01

    In the title compound, C23H22ClNO4 (systematic name: (RS)-2-(4-chloro-phen-yl)-N-{2-[3-meth-oxy-4-(prop-2-yn-1-yl-oxy)phen-yl]eth-yl}-2-(prop-2-yn-yloxy)acetamide), an amide fungicide, the dihedral angle between the chloro-benzene and benzene rings is 65.36?(6). In the crystal, N-H?O hydrogen bonds lead to zigzag supra-molecular chains along the c axis (glide symmetry). These are connected into layers by C-H?O and C-H?? inter-actions; the layers stack along the a axis with no specific inter-molecular inter-actions between them. PMID:26594445

  6. Crystal structure of cyproconazole

    PubMed Central

    Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound [systematic name: 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C15H18ClN3O, is a conazole fungicide. The asymmetric unit comprises two enantiomeric pairs (molecules A and B) in which the dihedral angles between the chlorophenyl and triazole rings are 46.54?(9) (molecule A) and 67.03?(8) (molecule B). In the crystal, CH?O, OH?N and CH?Cl hydrogen bonds and weak CH?? interactions [3.473?(2)?] link adjacent molecules, forming columns along the a axis. PMID:26870467

  7. Cloud Ice Crystal Orientation Inferred from Global Precipitation Measurement (GPM) Microwave Imager

    NASA Astrophysics Data System (ADS)

    Gong, J.; Wu, D. L.; Evans, K. F.; Kim, K. M.

    2014-12-01

    Ice crystal orientation can produce significantly different scattering in vertically (V) and horizontally (H) polarized microwave radiances and affect the accuracy of cloud ice measurement. Designed to observe the precipitable-sized particles, GPM Microwave Imager (GMI) is used in this study to infer ice crystal orientation inside ice clouds. By identifying ice cloud scenes using the 183.33 GHz channel, we compare the 89 and 166 GHz radiances for their V-H differences. Ice cloud crystals are found highly polarized with V-H > 0 throughout the tropics and the mid-latitude jet regions. The V-H difference can be as large as 10% (5%) of the mean radiance at 166 GHz (89 GHz). The largest values generally occur over convective outflows, but decreasing in the vicinity of deep convective cores and remote thin cirrus regions. The negative V-H values prominently happen in the equator side of the winter hemisphere storm track regions. A polarized radiative transfer model is employed to interpret the observed polarization. Simulations with systematically oriented non-spherical ice particles can reproduce the observed V-H differences, while spherical or randomly oriented non-spherical particles cannot. This finding suggests that accurate cloud ice retrievals must take into account ice crystal orientation. The observed V-H relationship with cloud regimes may relate with vertical velocity, in-cloud turbulence, lightning, and other physical processes, which will be briefly discussed in this presentation.

  8. Crystal structure refinement with SHELXL.

    PubMed

    Sheldrick, George M

    2015-01-01

    The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as `a CIF') containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and MacOSX operating systems, and is particularly suitable for multiple-core processors. PMID:25567568

  9. Crystal structure refinement with SHELXL

    PubMed Central

    Sheldrick, George M.

    2015-01-01

    The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as a CIF) containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and MacOSX operating systems, and is particularly suitable for multiple-core processors. PMID:25567568

  10. Crystal structure refinement with SHELXL

    SciTech Connect

    Sheldrick, George M.

    2015-01-01

    New features added to the refinement program SHELXL since 2008 are described and explained. The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as ‘a CIF’) containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and Mac OS X operating systems, and is particularly suitable for multiple-core processors.

  11. A 4-D dataset for validation of crystal growth in a complex three-phase material, ice cream

    NASA Astrophysics Data System (ADS)

    Rockett, P.; Karagadde, S.; Guo, E.; Bent, J.; Hazekamp, J.; Kingsley, M.; Vila-Comamala, J.; Lee, P. D.

    2015-06-01

    Four dimensional (4D, or 3D plus time) X-ray tomographic imaging of phase changes in materials is quickly becoming an accepted tool for quantifying the development of microstructures to both inform and validate models. However, most of the systems studied have been relatively simple binary compositions with only two phases. In this study we present a quantitative dataset of the phase evolution in a complex three-phase material, ice cream. The microstructure of ice cream is an important parameter in terms of sensorial perception, and therefore quantification and modelling of the evolution of the microstructure with time and temperature is key to understanding its fabrication and storage. The microstructure consists of three phases, air cells, ice crystals, and unfrozen matrix. We perform in situ synchrotron X-ray imaging of ice cream samples using in-line phase contrast tomography, housed within a purpose built cold-stage (-40 to +20oC) with finely controlled variation in specimen temperature. The size and distribution of ice crystals and air cells during programmed temperature cycling are determined using 3D quantification. The microstructural evolution of three-phase materials has many other important applications ranging from biological to structural and functional material, hence this dataset can act as a validation case for numerical investigations on faceted and non-faceted crystal growth in a range of materials.

  12. On the scattering phase-function of non-symmetric ice-crystals

    NASA Astrophysics Data System (ADS)

    Baran, Anthony. J.; Shcherbakov, V. N.; Baker, B. A.; Gayet, J. F.; Lawson, R. P.

    2005-10-01

    Theoretical phase-functions representing randomly oriented fractal ice-crystals, bullet-rosettes, ice aggregates, and an ensemble of ice crystals are compared to measured phase-functions using a Polar Nephelometer located in the Antarctic. The Polar Nephelometer operated at a wavelength of 0.80 ?m and measured the scattering phase-functions of individual ice-crystals between the scattering angles of 5.86 and 167. The Polar Nephelometer was operated in tandem with a Cloud Particle Imager (supplied by SPEC Inc.) both were situated at the South Pole Amundsen Scott base station during January 2002. In this paper we report on a sample of Polar Nephelometer data obtained over a time interval of 2000 seconds consisting of 3256 phase-functions measured from individual ice-crystals. The 3256 measured phase-functions were averaged to produce an ensemble-averaged phase-function. The theoretical phase-functions have been compared to the measured ensemble-averaged phase-function. The paper demonstrates that phase functions representing single ice-crystal geometries do not reproduce the measured data well. However, the theoretical phase-function representing scattering from an ensemble of ice crystals is found to be the best description of the measured phase-function over all scattering angles.

  13. Effects of pre-existing ice crystals on cirrus clouds and comparison between different ice nucleation parameterizations with the Community Atmosphere Model (CAM5)

    NASA Astrophysics Data System (ADS)

    Shi, X.; Liu, X.; Zhang, K.

    2015-02-01

    In order to improve the treatment of ice nucleation in a more realistic manner in the Community Atmosphere Model version 5.3 (CAM5.3), the effects of pre-existing ice crystals on ice nucleation in cirrus clouds are considered. In addition, by considering the in-cloud variability in ice saturation ratio, homogeneous nucleation takes place spatially only in a portion of the cirrus cloud rather than in the whole area of the cirrus cloud. Compared to observations, the ice number concentrations and the probability distributions of ice number concentration are both improved with the updated treatment. The pre-existing ice crystals significantly reduce ice number concentrations in cirrus clouds, especially at mid- to high latitudes in the upper troposphere (by a factor of ~10). Furthermore, the contribution of heterogeneous ice nucleation to cirrus ice crystal number increases considerably. Besides the default ice nucleation parameterization of Liu and Penner (2005, hereafter LP) in CAM5.3, two other ice nucleation parameterizations of Barahona and Nenes (2009, hereafter BN) and Krcher et al. (2006, hereafter KL) are implemented in CAM5.3 for the comparison. In-cloud ice crystal number concentration, percentage contribution from heterogeneous ice nucleation to total ice crystal number, and pre-existing ice effects simulated by the three ice nucleation parameterizations have similar patterns in the simulations with present-day aerosol emissions. However, the change (present-day minus pre-industrial times) in global annual mean column ice number concentration from the KL parameterization (3.24 106 m-2) is less than that from the LP (8.46 106 m-2) and BN (5.62 106 m-2) parameterizations. As a result, the experiment using the KL parameterization predicts a much smaller anthropogenic aerosol long-wave indirect forcing (0.24 W m-2) than that using the LP (0.46 W m-2) and BN (0.39 W m-2) parameterizations.

  14. Crystal structure of pyrazoxyfen.

    PubMed

    Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-12-01

    The title compound, C20H16Cl2N2O3 (systematic name: 2-{[4-(2,4-di-chloro-benzo-yl)-1,3-di-methyl-pyrazol-5-yl}-oxy}-1-phenyl-ethan-1-one), is the benzoyl-pyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent mol-ecules, A and B, in which the pyrazole ring makes dihedral angles of 80.29?(10) and 61.70?(10) and 87.60?(10) and 63.92?(8), respectively, with the di-chloro-phenyl and phenyl rings. In the crystal, C-H?O and C-H?N hydrogen bonds, and C-H?? and ?-? [3.646?(2)?] inter-actions link adjacent mol-ecules, forming a two-dimensional network parellel to (011). In addition, the networks are linked by weak inter-molecular C-Cl?? [3.356?(2), 3.950?(2), 3.250?(2) and 3.575?(2)?] inter-actions, resulting in a three-dimensional architecture. PMID:26870483

  15. Crystal structure of difenoconazole

    PubMed Central

    Cho, Seonghwa; Kang, Gihaeng; Lee, Sangjin; Kim, Tae Ho

    2014-01-01

    In the title compound difenoconazole [systematic name: 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole], C19H17Cl2N3O3, the dihedral angle between the planes of the 4-chlorophenyl and 2-chlorophenyl rings is 79.34?(9), while the dihedral angle between the planes of the triazole ring and the dioxolanyl group is 59.45?(19). In the crystal, pairs of CH?N hydrogen bonds link adjacent molecules, forming dimers with R 2 2(6) loops. In addition, the dimers are linked by CH?O hydrogen bonds, resulting in a three-dimensional architecture. Disorder was modeled for one C atom of the dioxolanyl group over two sets of sites with an occupancy ratio of 0.566?(17):0.434?(17). PMID:25484812

  16. Crystal structure of chlorfluazuron

    PubMed Central

    Cho, Seonghwa; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho

    2015-01-01

    The title compound (systematic name: 1-{3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yloxy]phenyl}-3-(2,6-difluorobenzoyl)urea), C20H9Cl3F5N3O3, is a benzoylphenylurea insecticide. The dihedral angles between the planes of the central dichlorophenyl and the terminal difluorophenyl and chloropyridyl rings are 79.51?(6) and 78.84 6), respectively. In the crystal, pairs of NH?O hydrogen bonds link adjacent molecules, forming R 2 2(8) inversion dimers. In addition, the dimers are linked by short F?Cl [3.1060?(16)?] and Cl?Cl [3.2837?(7)?] contacts, as well as weak intermolecular ?? interactions [ring centroid separation = 3.6100?(11) and 3.7764?(13)?], resulting in a two-dimensional architecture parallel to (111). PMID:25705506

  17. Crystal structure of pyrazoxyfen

    PubMed Central

    Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-01-01

    The title compound, C20H16Cl2N2O3 (systematic name: 2-{[4-(2,4-di­chloro­benzo­yl)-1,3-di­methyl­pyrazol-5-yl}­oxy}-1-phenyl­ethan-1-one), is the benzoyl­pyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent mol­ecules, A and B, in which the pyrazole ring makes dihedral angles of 80.29 (10) and 61.70 (10)° and 87.60 (10) and 63.92 (8)°, respectively, with the di­chloro­phenyl and phenyl rings. In the crystal, C—H⋯O and C—H⋯N hydrogen bonds, and C—H⋯π and π–π [3.646 (2) Å] inter­actions link adjacent mol­ecules, forming a two-dimensional network parellel to (011). In addition, the networks are linked by weak inter­molecular C—Cl⋯π [3.356 (2), 3.950 (2), 3.250 (2) and 3.575 (2) Å] inter­actions, resulting in a three-dimensional architecture. PMID:26870483

  18. The structure of internal stresses in the uncompacted ice cover

    SciTech Connect

    Sukhorukov, K.K.

    1995-12-31

    Interactions between engineering structures and sea ice cover are associated with an inhomogeneous space/time field of internal stresses. Field measurements (e.g., Coon, 1989; Tucker, 1992) have revealed considerable local stresses depending on the regional stress field and ice structure. These stresses appear in different time and space scales and depend on rheologic properties of the ice. To estimate properly the stressed state a knowledge of a connection between internal stress components in various regions of the ice cover is necessary. To develop reliable algorithms for estimates of ice action on engineering structures new experimental data are required to take into account both microscale (comparable with local ice inhomogeneities) and small-scale (kilometers) inhomogeneities of the ice cover. Studies of compacted ice (concentration N is nearly 1) are mostly important. This paper deals with the small-scale spatial distribution of internal stresses in the interaction zone between the ice covers of various concentrations and icebergs. The experimental conditions model a situation of the interaction between a wide structure and the ice cover. Field data on a drifting ice were collected during the Russian-US experiment in Antarctica WEDDELL-I in 1992.

  19. Stability relationship for water droplet crystallization with the NASA Lewis icing spray nozzle

    NASA Technical Reports Server (NTRS)

    Marek, C. John; Bartlett, C. Scott

    1988-01-01

    In order to produce small droplets for icing cloud simulation, high pressure air atomizing nozzles are used. For certain icing testing applications, median drop sizes as small as 5 mm are needed, which require air atomizing pressures greater than 3000 kPa. Isentropic expansion of the ambient temperature atomizing air to atmospheric pressure can result in air stream temperatures of -160 C which results in ice crystals forming in the cloud. To avoid such low temperatures, it is necessary to heat the air and water to high initial temperatures. An icing spray research program was conducted to map the temperatures below which ice crystals form. A soot slide technique was used to determine the presence of crystals in the spray.

  20. Stability relationship for water droplet crystallization with the NASA Lewis icing spray

    NASA Technical Reports Server (NTRS)

    Marek, C. John; Bartlett, C. Scott

    1987-01-01

    In order to produce small droplets for icing cloud simulation, high pressure air atomizing nozzles are used. For certain icing testing applications, median drop sizes as small as 5 mm are needed, which require air atomizing pressures greater than 3000 kPa. Isentropic expansion of the ambient temperature atomizing air to atmospheric pressure can result in air stream temperatures of -160 C which results in ice crystals forming in the cloud. To avoid such low temperatures, it is necessary to heat the air and water to high initial temperatures. An icing spray research program was conducted to map the temperatures below which ice crystals form. A soot slide technique was used to determine the presence of crystals in the spray.

  1. Arabidopsis thaliana ICE2 gene: phylogeny, structural evolution and functional diversification from ICE1.

    PubMed

    Kurbidaeva, Amina; Ezhova, Tatiana; Novokreshchenova, Maria

    2014-12-01

    The ability to tolerate environmental stresses is crucial for all living organisms, and gene duplication is one of the sources for evolutionary novelties. Arabidopsis thaliana INDUCER OF CBF EXPRESSION1 and 2 (ICE1 and ICE2) encode MYC-type bHLH (basic helix-loop-helix) transcription factors. They confer cold stress tolerance by induction of the CBF/DREB1 regulon and regulate stomata formation. Although ICE2 is closely related to ICE1, its origin and role in cold response remains uncertain. Here, we used a bioinformatics/phylogenetic approach to uncover the ICE2 evolutionary history, structural evolution and functional divergence from the putative ancestral gene. Sequence diversification from ICE1 included the gain of cis-acting elements in ICE2 promoter sequence that may provide meristem-specific and defense-related gene expression. By analyzing transgenic Arabidopsis lines with ICE2 over-expression we showed that it contributes to stomata formation, flowering time regulation and cold response. Constitutive ICE2 expression led to induced meristem freezing tolerance, resulting from activation of CBF1 and CBF3 genes and ABA biosynthesis by NCED3 induction. We presume that ICE2 gene has originated from a duplication event about 17.9MYA followed by sub- and neofunctionalization of the ancestral ICE1 gene. Moreover, we predict its role in pathogen resistance and flowering time regulation. PMID:25443829

  2. Cloud chamber experiments on the origin of ice crystal complexity in cirrus clouds

    NASA Astrophysics Data System (ADS)

    Schnaiter, M.; Jrvinen, E.; Vochezer, P.; Abdelmonem, A.; Wagner, R.; Jourdan, O.; Mioche, G.; Shcherbakov, V. N.; Schmitt, C. G.; Tricoli, U.; Ulanowski, Z.; Heymsfield, A. J.

    2015-11-01

    This study reports on the origin of ice crystal complexity and its influence on the angular light scattering properties of cirrus clouds. Cloud simulation experiments were conducted at the AIDA (Aerosol Interactions and Dynamics in the Atmosphere) cloud chamber of the Karlsruhe Institute of Technology (KIT). A new experimental procedure was applied to grow and sublimate ice particles at defined super- and subsaturated ice conditions and for temperatures in the -40 to -60 C range. The experiments were performed for ice clouds generated via homogeneous and heterogeneous initial nucleation. Ice crystal complexity was deduced from measurements of spatially resolved single particle light scattering patterns by the latest version of the Small Ice Detector (SID-3). It was found that a high ice crystal complexity is dominating the microphysics of the simulated clouds and the degree of this complexity is dependent on the available water vapour during the crystal growth. Indications were found that the crystal complexity is influenced by unfrozen H2SO4/H2O residuals in the case of homogeneous initial ice nucleation. Angular light scattering functions of the simulated ice clouds were measured by the two currently available airborne polar nephelometers; the Polar Nephelometer (PN) probe of LaMP and the Particle Habit Imaging and Polar Scattering (PHIPS-HALO) probe of KIT. The measured scattering functions are featureless and flat in the side- and backward scattering directions resulting in low asymmetry parameters g around 0.78. It was found that these functions have a rather low sensitivity to the crystal complexity for ice clouds that were grown under typical atmospheric conditions. These results have implications for the microphysical properties of cirrus clouds and for the radiative transfer through these clouds.

  3. A theoretical spongy spray icing model with surficial structure

    NASA Astrophysics Data System (ADS)

    Blackmore, R. Z.; Lozowski, E. P.

    In an attempt to improve the predictive capability of atmospheric icing models, we have developed a theoretical model of spongy ice formation, including the surficial morphology under a falling supercooled liquid film. A steady-state model of freshwater spongy spray icing for a stationary vertical cylinder is presented. A falling film submodel accounts for the flow of excess liquid on the icing surface. Traditional heat and mass balance equations at the outer surface of the falling film are formulated, along with heat and mass balances for the falling film and for the dendritic freezing zone. The rate of advance of the icing interface is calculated by analogy with the rate of advance of freely-growing ice crystals in bulk supercooled liquid. This allows, for the first time, the prediction of ice accretion flux and accretion sponginess, for a specific icing configuration and environmental conditions. An analysis of the model's sensitivity to spray temperature reveals that spray supercooling enhances both the rate of accretion and its sponginess. A comparison of the model's performance with experiments shows rather good agreement, and suggests that further research into the nature of the icing surface and its effect on the accreted ice is warranted.

  4. Characterizing ice crystal growth behavior under electric field using phase field method.

    PubMed

    He, Zhi Zhu; Liu, Jing

    2009-07-01

    In this article, the microscale ice crystal growth behavior under electrostatic field is investigated via a phase field method, which also incorporates the effects of anisotropy and thermal noise. The multiple ice nuclei's competitive growth as disclosed in existing experiments is thus successfully predicted. The present approach suggests a highly efficient theoretical tool for probing into the freeze injury mechanisms of biological material due to ice formation during cryosurgery or cryopreservation process when external electric field was involved. PMID:19640138

  5. Intracellular ice and cell survival in cryo-exposed embryonic axes of recalcitrant seeds of Acer saccharinum: an ultrastructural study of factors affecting cell and ice structures

    PubMed Central

    Wesley-Smith, James; Berjak, Patricia; Pammenter, N. W.; Walters, Christina

    2014-01-01

    Background and Aims Cryopreservation is the only long-term conservation strategy available for germplasm of recalcitrant-seeded species. Efforts to cryopreserve this form of germplasm are hampered by potentially lethal intracellular freezing events; thus, it is important to understand the relationships among cryo-exposure techniques, water content, structure and survival. Methods Undried embryonic axes of Acer saccharinum and those rapidly dried to two different water contents were cooled at three rates and re-warmed at two rates. Ultrastructural observations were carried out on radicle and shoot tips prepared by freeze-fracture and freeze-substitution to assess immediate (i.e. pre-thaw) responses to cooling treatments. Survival of axes was assessed in vitro. Key Results Intracellular ice formation was not necessarily lethal. Embryo cells survived when crystal diameter was between 0·2 and 0·4 µm and fewer than 20 crystals were distributed per μm2 in the cytoplasm. Ice was not uniformly distributed within the cells. In fully hydrated axes cooled at an intermediate rate, the interiors of many organelles were apparently ice-free; this may have prevented the disruption of vital intracellular machinery. Intracytoplasmic ice formation did not apparently impact the integrity of the plasmalemma. The maximum number of ice crystals was far greater in shoot apices, which were more sensitive than radicles to cryo-exposure. Conclusions The findings challenge the accepted paradigm that intracellular ice formation is always lethal, as the results show that cells can survive intracellular ice if crystals are small and localized in the cytoplasm. Further understanding of the interactions among water content, cooling rate, cell structure and ice structure is required to optimize cryopreservation treatments without undue reliance on empirical approaches. PMID:24368198

  6. Analysis of ice crystals occuring in the upper high levels of tropical mesoscale convective systems

    NASA Astrophysics Data System (ADS)

    Delplanque, Alexandre

    2015-04-01

    In 2010 several test flights were performed in tropical marine meso-scale convective systems at flight levels between 10.5 and 10.8 km. Ice crystals were observed with a high speed CDD camera (image pixel resolution: 15 μ m, time resolution 0.007 s) hereafter called the Airbus nephelometer. In-cloud observations were not restricted to the stratiform regions of the MCS but also convective cores were intensely sampled. High number concentrations of ice crystals (N > 1000 L-1) and IWC of more than 4 g.m-3 could be observed. The main objective of our study is the retrieval of the ice water mass from ice particle number distribution and crystal habits, both observed by the Airbus nephelometer. The shape of ice particles was supposed to correspond to the form of oblate spheroids. A statistical study of the aspect ratio of crystal images was performed comparing two different geometrical approaches for the aspect ratio of their semi axis. One uses the ratio of minimum to maximum length, the other is based on the aspect ratio which best fits the crystal image. Different regions of the MCS present different mean aspect ratios measured at small scale (200 m). Variations of the aspect ratio seem to be associated with different nucleation and growth histories for the crystals. For regions with 'young' ice crystals, an anti-correlation between the aspect ratio and ice number concentration was observed. This observation is compared with the results obtained from simple diffusional growth modeling. To better quantify the characteristics of high concentrations of small ice crystal MCS regions, we propose to use the size distribution of the mean aspect ratio (from 100 μ m to 1 mm), to distinguish quite different behaviors for 'young' and 'mature' convective regions.

  7. Basal Dynamics and Internal Structure of Ice Sheets

    NASA Astrophysics Data System (ADS)

    Wolovick, Michael J.

    The internal structure of ice sheets reflects the history of flow and deformation experienced by the ice mass. Flow and deformation are controlled by processes occurring within the ice mass and at its boundaries, including surface accumulation or ablation, ice rheology, basal topography, basal sliding, and basal melting or freezing. The internal structure and basal environment of ice sheets is studied with ice-penetrating radar. Recently, radar observations in Greenland and Antarctica have imaged large englacial structures rising from near the bed that deform the overlying stratigraphy into anticlines, synclines, and overturned folds. The mechanisms that may produce these structures include basal freeze-on, travelling slippery patches at the ice base, and rheological contrasts within the ice column. In this thesis, I explore the setting and mechanisms that produce large basal stratigraphic structures inside ice sheets. First, I use radar data to map subglacial hydrologic networks that deliver meltwater uphill towards freeze-on structures in East Antarctica. Next, I use a thermomechanical flowline model to demonstrate that trains of alternating slippery and sticky patches can form underneath ice sheets and travel downstream over time. The disturbances to the ice flow field produced by these travelling patches produce stratigraphic folds resembling the observations. I then examine the overturned folds produced by a single travelling sticky patch using a kinematic flowline model. This model is used to interpret stratigraphic measurements in terms of the dynamic properties of basal slip. Finally, I use a simple local one-dimensional model to estimate the thickness of basal freeze-on that can be produced based on the supply of available meltwater, the thermal boundary conditions, ice sheet geometry, and the ice flow regime.

  8. A study of the growth rates and growth habits of ice crystals in a solution of antifreeze (glyco) proteins

    NASA Astrophysics Data System (ADS)

    Li, Qianzhong; Luo, Liaofu

    1996-12-01

    The mechanism of the antifreeze glycoprotein/antifreeze protein interaction on the surface of ice is analyzed. The theory of ice crystal growth in an AF(G)P solution is presented. A quantitative calculation of the growth rates for gain growth has been obtained. The anisotropic growth habits and growth rates of ice crystals in an AF(G)P solution are explained.

  9. Nanoscale structure of the magnetic induction at monopole defects in artificial spin-ice lattices.

    SciTech Connect

    Phatak, C.; Petford-Long, A. K.; Tanase, M.; Heinonen, O.; De Graef, M.

    2011-05-18

    Artificially frustrated spin-ice systems are of considerable interest since they simulate the spin frustration and concomitant rich behavior exhibited by atoms on a crystal lattice in naturally occurring spin-ice systems such as pyrochlores. As a result of the magnetic frustration, these systems can exhibit 'magnetic monopole' type defects, which are an example of an exotic emergent quasiparticle. The local magnetization structure of such monopole defects determines their stability and thus is critical to understanding their behavior. In this paper, we report on the direct observation at room temperature of the nanoscale magnetic structure of individual magnetic monopoles in an artificially frustrated two-dimensional square spin-ice lattice, using high-resolution aberration-corrected Lorentz transmission electron microscopy. By combining the high-resolution microscopy with micromagnetic simulation, we demonstrate how nucleation of defect strings, reminiscent of Dirac strings, connecting monopole defects controls the demagnetization process in these spin-ice lattices.

  10. Nanoscale structure of the magnetic induction at monopole defects in artificial square spin-ice lattices.

    SciTech Connect

    Phatak, C.; Petford-Long, A. K.; Tanase, M.; Heinonen, O.; De Graef, M.

    2011-05-01

    Artificially frustrated spin-ice systems are of considerable interest since they simulate the spin frustration and concomitant rich behavior exhibited by atoms on a crystal lattice in naturally occurring spin-ice systems such as pyrochlores. As a result of the magnetic frustration, these systems can exhibit 'magnetic monopole' type defects, which are an example of an exotic emergent quasiparticle. The local magnetization structure of such monopole defects determines their stability and thus is critical to understanding their behavior. In this paper, we report on the direct observation at room temperature of the nanoscale magnetic structure of individual magnetic monopoles in an artificially frustrated two-dimensional square spin-ice lattice, using high-resolution aberration-corrected Lorentz transmission electron microscopy. By combining the high-resolution microscopy with micromagnetic simulation, we demonstrate how nucleation of defect strings, reminiscent of Dirac strings, connecting monopole defects controls the demagnetization process in these spin-ice lattices.

  11. Crystal structure of guggulsterone Z

    SciTech Connect

    Gupta, V. K. Bandhoria, P.; Gupta, B. D.; Gupta, K. K.

    2006-03-15

    The crystal structure of the title compound (4,17(20)-trans-pregnadiene-3,16-dione, C{sub 21}H{sub 28}O{sub 2}) has been determined by direct methods using single-crystal X-ray diffraction data. The compound crystallizes into the orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} with the unit cell parameters a = 7.908(2) A, b = 13.611(3) A, c = 16.309(4) A, and Z = 4. The structure has been refined to R = 0.058 for 3667 observed reflections. The bond distances and angles are in good agreement with guggulsterone E and other related steroid molecules. Ring A exists in the distorted sofa conformation, while rings B and C adopt the distorted chair conformation. Five-membered ring D is intermediate between the half-chair and envelope conformations. The A/B ring junction is quasi-trans, while ring systems B/C and C/D are trans fused about the C(8)-C(9) and C(13)-C(14) bonds, respectively. The steroid nucleus has a small twist, as shown by the C(19)-C(10)...C(13)-C(18) pseudo-torsion angle of 7.2{sup o}. The crystal structure is stabilized by intra-and intermolecular C-H...O hydrogen bonds.

  12. Retrieval of Cloud Phase and Ice Crystal Habit from Satellite Data

    SciTech Connect

    McFarlane, Sally A.; Marchand, Roger T.; Ackerman, Thomas P.

    2004-07-19

    Knowledge of cloud phase (liquid or ice) and crystal habit are of fundamental importance to both remote sensing and climate simulations. Using water droplets instead of ice crystals in retrieving cloud properties from satellite data can lead to errors in the retrieval of cloud height, optical thickness, and microphysical properties. Satellite retrievals of microphysical properties are also influenced by the crystal habit used in the retrieval, either indirectly via an assumed phase function or directly via assumed profiles of ice crystal habits. Realistic treatment of ice cloud radiative and microphysical properties, which depend on crystal habit, is important in climate simulations, especially in tropical anvil regions. In this work, we present a method for retrieving cloud phase and the dominant ice crystal habit from radiances measured by the Multi-angle Imaging Spectro-Radiometer (MISR) and the Moderate Resolution Imaging Spectroradiometer (MODIS). The shape of an atmospheric particle affects the scattering of light such that water droplets and ice crystals of various habits have somewhat different phase functions. Consequently the radiances measured by the MISR instrument, which observes light scattered from the same cloud at nine different viewing angles, are functions of the crystal shape. In principle, the measured angular radiance pattern can be used to infer the crystal shape. In this work, we present initial results from a cloud phase and ice crystal habit retrieval based on combining the MISR multi-angular visible wavelength measurements with MODIS shortwave infrared measurements. The nine angular measurements provided by the MISR cameras allow a wide range of scattering angles to be viewed in a single scene, which provides sensitivity to particle habit. The presence of the MODIS instrument on the same satellite allows additional information on particle size to be incorporated into the retrievals. Results of the retrieval method are presented for several case studies over the continental United States. Cloud phase can be determined from the MISR angular measurements alone, due to the large differences in the phase functions of water droplets and ice crystals. By combining the MISR and MODIS measurements, crystal habit, effective radius, and optical depth can be inferred simultaneously for ice clouds. Comparisons with ground-based retrieval methods and semi-coincident in situ data illustrate that the retrieved crystal habits and sizes are reasonable.

  13. Tropical tropopause ice clouds: A new approach to answer the mystery of low crystal numbers

    NASA Astrophysics Data System (ADS)

    Spichtinger, Peter; Krämer, Martina

    2013-04-01

    Water vapour is the most important natural green house gas. However, in the stratosphere an increase in water vapour would possibly result in a net cooling of the earth-atmosphere system. The major entrance pathway of trace substances into the stratosphere is the tropical tropopause layer (TTL). The TTL water vapor budget, and thus the exchange between troposphere and stratosphere, depends crucially on the occurrence and properties of ice clouds in this cold region (T < 200 K). New observations indicate that very low ice crystal numbers frequently occur in the TTL. This phenomenon is not yet understood and is not compatible with the idea that homogeneous freezing of solution droplets is the major pathway of ice formation. These low ice number concentrations are consistent with observed persistent high ice supersaturations inside cold TTL cirrus clouds, which in turn control the exchange of water vapor with the stratosphere. Here, we reproduce in-situ measurements of frequencies of occurrence of ice crystal concentrations by extensive model simulations, driven by the special dynamical conditions in the TTL, namely the superposition of slow large-scale updrafts with high-frequency short waves. The simulations show that about 80% of the observed incidences of low ice crystal concentrations can be explained by 'classical' homogeneous ice nucleation in the very slow updrafts (< 1cm/s), about 19% stem from heterogeneous freezing, while the remaining of about 1% originates from homogeneous freezing in slightly faster updrafts (> 1cm/s). The mechanism limiting the ice crystal production from homogeneous freezing in an environment full of gravity waves is that freezing events are stalled -due to the shortness of the gravity waves- before a higher number concentration of ice crystals can be formed.

  14. Structural basis for antifreeze activity of ice-binding protein from arctic yeast.

    PubMed

    Lee, Jun Hyuck; Park, Ae Kyung; Do, Hackwon; Park, Kyoung Sun; Moh, Sang Hyun; Chi, Young Min; Kim, Hak Jun

    2012-03-30

    Arctic yeast Leucosporidium sp. produces a glycosylated ice-binding protein (LeIBP) with a molecular mass of ?25 kDa, which can lower the freezing point below the melting point once it binds to ice. LeIBP is a member of a large class of ice-binding proteins, the structures of which are unknown. Here, we report the crystal structures of non-glycosylated LeIBP and glycosylated LeIBP at 1.57- and 2.43-? resolution, respectively. Structural analysis of the LeIBPs revealed a dimeric right-handed ?-helix fold, which is composed of three parts: a large coiled structural domain, a long helix region (residues 96-115 form a long ?-helix that packs along one face of the ?-helix), and a C-terminal hydrophobic loop region ((243)PFVPAPEVV(251)). Unexpectedly, the C-terminal hydrophobic loop region has an extended conformation pointing away from the body of the coiled structural domain and forms intertwined dimer interactions. In addition, structural analysis of glycosylated LeIBP with sugar moieties attached to Asn(185) provides a basis for interpreting previous biochemical analyses as well as the increased stability and secretion of glycosylated LeIBP. We also determined that the aligned Thr/Ser/Ala residues are critical for ice binding within the B face of LeIBP using site-directed mutagenesis. Although LeIBP has a common ?-helical fold similar to that of canonical hyperactive antifreeze proteins, the ice-binding site is more complex and does not have a simple ice-binding motif. In conclusion, we could identify the ice-binding site of LeIBP and discuss differences in the ice-binding modes compared with other known antifreeze proteins and ice-binding proteins. PMID:22303017

  15. Influences of Ice Crystal Number Concentrations and Habits on Arctic Mixed-Phase Cloud Dynamics

    NASA Astrophysics Data System (ADS)

    Komurcu, Muge

    2015-07-01

    Mixed-phase clouds are frequently present in the Arctic atmosphere, and strongly affect the surface energy budget. In this study, the influences of ice crystal number concentrations and crystal growth habits on the Arctic mixed-phase cloud microphysics and dynamics are investigated for internally and externally driven cloud systems using an eddy-resolving model. Separate simulations are performed with increasing ice concentrations and different ice crystal habits. It is found that the habit influence on cloud microphysics and dynamics is as pronounced as increasing the ice crystal concentrations for internally driven clouds and more dominant for externally driven clouds. Habit influence can lead to a 10 % reduction in surface incident longwave radiation flux. Sensitivity tests are performed to identify the interactions between processes affecting cloud dynamics that allow for persistent clouds (i.e., the radiative cooling at cloud top, ice precipitation stabilization at cloud-base). When cloud-base stabilization influences of ice precipitation are weak, cloud dynamics is more sensitive to radiative cooling. Additional sensitivity simulations are done with increasing surface latent and sensible heat fluxes to identify the influences of external forcing on cloud dynamics. It is found that the magnitude of cloud circulations for an externally driven cloud system with strong precipitation and weak surface fluxes is similar to a weakly precipitating, optically thick, internally driven cloud. For cloud systems with intense ice precipitation obtained through either increasing ice crystal concentrations or assuming ice crystal shapes that grow rapidly and fall fast, the cloud layer may collapse despite the moistening effect of surface fluxes.

  16. Spray-ice islands evaluated for Arctic-drilling structures

    SciTech Connect

    Juvkam-Wold, H.C.

    1986-04-21

    Comparisons of spray-ice drilling structures for the Beaufort Sea with drilling structures presently in use there show that over a wide range of water depths drilling from spray-ice islands offers significant benefits over the existing alternatives. Both technical and economic comparisons were made. In a water depth of 50 ft, a gravel island for drilling an exploration hole would likely cost between $40 and $60 million. A spray-ice island in the same location would cost less than $10 million. ''Spray-ice'' as used in this article refers to ice made by pumping sea water high up into the air for rapid heat transfer and freezing. The resulting ice has a granular structure and is quite porous.

  17. Diamond-structured photonic crystals.

    PubMed

    Maldovan, Martin; Thomas, Edwin L

    2004-09-01

    Certain periodic dielectric structures can prohibit the propagation of light for all directions within a frequency range. These 'photonic crystals' allow researchers to modify the interaction between electromagnetic fields and dielectric media from radio to optical wavelengths. Their technological potential, such as the inhibition of spontaneous emission, enhancement of semiconductor lasers, and integration and miniaturization of optical components, makes the search for an easy-to-craft photonic crystal with a large bandgap a major field of study. This progress article surveys a collection of robust complete three-dimensional dielectric photonic-bandgap structures for the visible and near-infrared regimes based on the diamond morphology together with their specific fabrication techniques. The basic origin of the complete photonic bandgap for the 'champion' diamond morphology is described in terms of dielectric modulations along principal directions. Progress in three-dimensional interference lithography for fabrication of near-champion diamond-based structures is also discussed. PMID:15343291

  18. Ice-binding proteins: a remarkable diversity of structures for stopping and starting ice growth.

    PubMed

    Davies, Peter L

    2014-11-01

    Antifreeze proteins (AFPs) were discovered in marine fishes that need protection from freezing. These ice-binding proteins (IBPs) are widespread across biological kingdoms, and their functions include freeze tolerance and ice adhesion. Consistent with recent independent evolution, AFPs have remarkably diverse folds that rely heavily on hydrogen- and disulfide-bonding. AFP ice-binding sites are typically flat, extensive, relatively hydrophobic, and are thought to organize water into an ice-like arrangement that merges and freezes with the quasi-liquid layer next to the ice lattice. In this article, the roles, properties, and structure-function interactions of IBPs are reviewed, and their relationship to ice nucleation proteins, which promote freezing at high subzero temperatures, is explored. PMID:25440715

  19. Laboratory Investigation of Contact Freezing and the Aerosol to Ice Crystal Transformation Process

    SciTech Connect

    Shaw, Raymond A.

    2014-10-28

    This project has been focused on the following objectives: 1. Investigations of the physical processes governing immersion versus contact nucleation, specifically surface-induced crystallization; 2. Development of a quadrupole particle trap with full thermodynamic control over the temperature range 0 to –40 °C and precisely controlled water vapor saturation ratios for continuous, single-particle measurement of the aerosol to ice crystal transformation process for realistic ice nuclei; 3. Understanding the role of ice nucleation in determining the microphysical properties of mixed-phase clouds, within a framework that allows bridging between laboratory and field measurements.

  20. Morphology Of Diesel Soot Residuals From Supercooled Water Droplets And Ice Crystals: Implications For Optical Properties

    SciTech Connect

    China, Swarup; Kulkarni, Gourihar; Scarnatio, Barbara; Sharma, Noopur; Pekour, Mikhail S.; Shilling, John E.; Wilson, Jacqueline M.; Zelenyuk, Alla; Chand, Duli; Liu, Shang; Aiken, Allison; Dubey, Manvendra K.; Laskin, Alexander; Zaveri, Rahul A.; Mazzoleni, Claudio

    2015-11-04

    Freshly emitted soot particles are fractal-like aggregates, but atmospheric processing often transforms their morphology. Morphology of soot particles plays an important role in determining their optical properties, life cycle and hence their effect on Earth’s radiative balance. However, little is known about the morphology of soot particles that participated in cold cloud processes. Here we report results from laboratory experiments that simulate cold cloud processing of diesel soot particles by allowing them to form supercooled droplets and ice crystals at -20 and -40°C, respectively. Electron microscopy revealed that soot residuals from ice crystals were more compact (roundness~0.55) than those from supercooled droplets (roundness ~0.45), while nascent soot particles were the least compact (roundness~0.41). Optical simulations using the discrete dipole approximation showed that the more compact structure enhances soot single scattering albedo by a factor up to 1.4, thereby reducing the top-of-the-atmosphere direct radiative forcing by ~63%. These results underscore that climate models should consider the morphological evolution of soot particles due to cold cloud processing to improve the estimate of direct radiative forcing of soot.

  1. Morphology of diesel soot residuals from supercooled water droplets and ice crystals: implications for optical properties

    NASA Astrophysics Data System (ADS)

    China, Swarup; Kulkarni, Gourihar; Scarnato, Barbara V.; Sharma, Noopur; Pekour, Mikhail; Shilling, John E.; Wilson, Jacqueline; Zelenyuk, Alla; Chand, Duli; Liu, Shang; Aiken, Allison C.; Dubey, Manvendra; Laskin, Alexander; Zaveri, Rahul A.; Mazzoleni, Claudio

    2015-11-01

    Freshly emitted soot particles are fractal-like aggregates, but atmospheric processes often transform their morphology. Morphology of soot particles plays an important role in determining their optical properties, life cycle and hence their effect on Earth’s radiative balance. However, little is known about the morphology of soot particles that participated in cold cloud processes. Here we report results from laboratory experiments that simulate cold cloud processing of diesel soot particles by allowing them to form supercooled droplets and ice crystals at ‑20 and ‑40 °C, respectively. Electron microscopy revealed that soot residuals from ice crystals were more compact (roundness ∼0.55) than those from supercooled droplets (roundness ∼0.45), while nascent soot particles were the least compact (roundness ∼0.41). Optical simulations using the discrete dipole approximation showed that the more compact structure enhances soot single scattering albedo by a factor up to 1.4, thereby reducing the top-of-the-atmosphere direct radiative forcing by ∼63%. These results underscore that climate models should consider the morphological evolution of soot particles due to cold cloud processing to improve the estimate of direct radiative forcing of soot.

  2. Grand Challenges in Understanding Clouds: From Ice Crystal Formation to Their Influence on Climate

    NASA Astrophysics Data System (ADS)

    Lohmann, U.

    2014-12-01

    Clouds are not only fascinating to watch for their myriad of shapes, but are also scientifically challenging because their formation requires both knowledge about the large-scale meteorological environment as well as knowledge about the details of cloud droplet and ice crystal formation on the micro-scale. The ice phase in cloud remains enigmatic because ice crystal number concentrations can exceed the number concentrations of those aerosol particles acting as centers for ice crystals (so-called ice nuclei) by orders of magnitude. To date, measurement devices for ice nuclei are rare and custom-made. In this work, I present the significant progress that has been made in the ice nucleation community in identifying which aerosol particles may act as ice nuclei and why. As pointed out in the fifth assessment report of the Intergovernmental Panel on Climate Change, the radiative forcing due to aerosol-cloud interactions remains the largest uncertainty of the anthropogenic forcings. On the other hand, how clouds change in a warmer climate is the largest of uncertainties in terms of the expected warming at a point of doubling of carbon dioxide.

  3. Light-scattering properties of plate and column ice crystals generated in a laboratory cold chamber.

    PubMed

    Barkey, Brian; Bailey, Matt; Liou, Kuo-Nan; Hallett, John

    2002-09-20

    Angular scattering properties of ice crystal particles generated in a laboratory cloud chamber are measured with a lightweight polar nephelometer with a diode laser beam. This cloud chamber produces distinct plate and hollow column ice crystal types for light-scattering experiments and provides a controlled test bed for comparison with results computed from theory. Ice clouds composed predominantly of plates and hollow columns generated noticeable 22 degrees and 46 degrees halo patterns, which are predicted from geometric ray-tracing calculations. With the measured ice crystal shape and size distribution, the angular scattering patterns computed from geometrical optics with a significant contribution by rough surfaces closely match those observed from the nephelometer. PMID:12269578

  4. Photonic crystal fiber monitors for intracellular ice formation

    NASA Astrophysics Data System (ADS)

    Battinelli, Emily; Reimlinger, Mark; Wynne, Rosalind

    2012-04-01

    An all-silica steering wheel photonic crystal fiber (SW-PCF) device with real-time analysis for cellular temperature sensing is presented. Results are provided for water-filled SW-PCF fibers experiencing cooling down near -40C. Cellular temperature sensors with fast response times are of interest particularly to the study of cryopreservation, which has been influential in applications such as tissue preservation, food quality control, genetic engineering, as well as drug discovery and in- vitro toxin testing. Results of this investigation are relevant to detection of intracellular ice formation (IIF) and better understanding cell freezing at very low temperatures. IIF detection is determined as a function of absorption occurring within the core of the SW-PCF. The SW-PCF has a 3.3?m core diameter, 125?m outer diameter and steering wheel-like air hole pattern with triangular symmetry, with a 20?m radius. One end of a 0.6m length of the SW-PCF is placed between two thermoelectric coolers, filled with ~0.1?L water. This end is butt coupled to a 0.5m length of single mode fiber (SMF), the distal end of the fiber is then inserted into an optical spectrum analyzer. A near-IR light source is guided through the fiber, such that the absorption of the material in the core can be measured. Spectral characteristics demonstrated by the optical absorption of the water sample were present near the 1300-1700nm window region with strongest peaks at 1350, 1410 and 1460nm, further shifting of the absorption peaks is possible at cryogenic temperatures making this device suitable for IIF monitoring applications.

  5. Experimental investigation of the interactions of hyperactive antifreeze proteins with ice crystals

    NASA Astrophysics Data System (ADS)

    Celik, Yeliz

    Antifreeze proteins (AFPs) evolved in cold-adapted organisms and serve to protect them against freezing cold conditions by arresting ice crystal growth and inhibiting ice recrystallization. The freezing point depression by AFPs is defined as thermal hysteresis (TH) and AFPs are classified as hyperactive (hypAFPs) and moderate according to their TH activities. The mechanism of action of AFPs is not well understood. In particular, it is not clear what determines the concentration dependence of TH and whether the binding of AFP to ice is irreversible. Additionally, it is not known why some types of AFP are hyperactive compared to others and it was suggested that hyperactivity might be related to basal plane affinity of hypAFP to ice. The present study utilizes the techniques of microfluidic devices and fluorescence microscopy to study the interaction of AFPs with ice crystals. With novel temperature controlled microfluidic devices, we showed the accumulation and affinity of hypAFPs on the basal plane of ice. This supports the view that hypAFPs adhere to the basal plane. Additionally, for the first time in literature, small ice crystals of 30-50 mum sizes covered with adsorbed GFP tagged hypAFPs were stabilized in supercooled non-AFP solutions for hours with no observed ice growth in temperature controlled microfluidic devices. Repeated TH experiments of ice crystals incubated in AFP solutions before and after the exchange of liquids in microfluidic devices gave the same TH activity. This finding clarifies our understanding of concentration dependence of TH. Furthermore, we found that hypAFPs protect ice against melting as well as freezing, resulting in superheated ice. Ice crystals were superheated up to 0.5°C above their equilibrium melting temperatures and remained stable in this superheated state for hours. Measurements of fast melting velocities added additional evidence to the observed superheating of ice in AFP solutions. The experimental results of the current study provide strong evidence that AFPs bind to ice surfaces via irreversible binding. We have demonstrated that the use of microfluidics in combination with fluorescence microscopy is a valuable technique to study the binding mechanisms of AFPs and the concentration dependence of AFP activity.

  6. The Ice Selective Inlet: a novel technique for exclusive extraction of pristine ice crystals in mixed-phase clouds

    NASA Astrophysics Data System (ADS)

    Kupiszewski, P.; Weingartner, E.; Vochezer, P.; Bigi, A.; Rosati, B.; Gysel, M.; Schnaiter, M.; Baltensperger, U.

    2014-12-01

    Climate predictions are affected by high uncertainties partially due to an insufficient knowledge of aerosol-cloud interactions. One of the poorly understood processes is formation of mixed-phase clouds (MPCs) via heterogeneous ice nucleation. Field measurements of the atmospheric ice phase in MPCs are challenging due to the presence of supercooled liquid droplets. The Ice Selective Inlet (ISI), presented in this paper, is a novel inlet designed to selectively sample pristine ice crystals in mixed-phase clouds and extract the ice residual particles contained within the crystals for physical and chemical characterisation. Using a modular setup composed of a cyclone impactor, droplet evaporation unit and pumped counterflow virtual impactor (PCVI), the ISI segregates particles based on their inertia and phase, exclusively extracting small ice particles between 5 and 20 ?m in diameter. The setup also includes optical particle spectrometers for analysis of the number size distribution and shape of the sampled hydrometeors. The novelty of the ISI is a droplet evaporation unit, which separates liquid droplets and ice crystals in the airborne state, thus avoiding physical impaction of the hydrometeors and limiting potential artifacts. The design and validation of the droplet evaporation unit is based on modelling studies of droplet evaporation rates and computational fluid dynamics simulations of gas and particle flows through the unit. Prior to deployment in the field, an inter-comparison of the WELAS optical particle size spectrometers and a characterisation of the transmission efficiency of the PCVI was conducted in the laboratory. The ISI was subsequently deployed during the Cloud and Aerosol Characterisation Experiment (CLACE) 2013 - an extensive international field campaign encompassing comprehensive measurements of cloud microphysics, as well as bulk aerosol, ice residual and ice nuclei properties. The campaign provided an important opportunity for a proof of concept of the inlet design. In this work we present the setup of the ISI, including the modelling and laboratory characterisation of its components, as well as a case study demonstrating the ISI performance in the field during CLACE 2013.

  7. Antifreeze effect of carboxylated ε-poly-L-lysine on the growth kinetics of ice crystals.

    PubMed

    Vorontsov, Dmitry A; Sazaki, Gen; Hyon, Suong-Hyu; Matsumura, Kazuaki; Furukawa, Yoshinori

    2014-08-28

    Some biological substances control the nucleation and growth of inorganic crystals. Antifreeze proteins, which prohibit ice crystal growth in living organisms, promise are also important as biological antifreezes for medical applications and in the frozen food industries. In this work, we investigated the crystallization of ice in the presence of a new cryoprotector, carboxylated ε-poly-L-lysine (COOH-PLL). In order to reveal the characteristics and the mechanism of its antifreeze effect, free-growth experiments of ice crystals were carried out in solutions with various COOH-PLL concentrations and degrees of supercooling, and the depression of the freezing point and growth rates of the tips of ice dendrites were obtained using optical microscopy. Hysteresis of growth rates and depression of the freezing point was revealed in the presence of COOH-PLL. The growth-inhibition effect of COOH-PLL molecules could be explained on the basis of the Gibbs-Thomson law and the use of Langmuir's adsorption isotherm. Theoretical kinetic curves for hysteresis calculated on the basis of Punin-Artamonova's model were in good agreement with experimental data. We conclude that adsorption of large biological molecules in the case of ice crystallization has a non-steady-state character and occurs more slowly than the process of embedding of crystal growth units. PMID:25113284

  8. Technical Note: Formation of airborne ice crystals in a wall independent reactor (WIR) under atmospheric conditions

    NASA Astrophysics Data System (ADS)

    Fries, E.; Haunold, W.; Starokozhev, E.; Palitzsch, K.; Sitals, R.; Jaeschke, W.; Pttmann, W.

    2008-07-01

    Both, gas and particle scavenging contribute to the transport of organic compounds by ice crystals in the troposphere. To simulate these processes an experimental setup was developed to form airborne ice crystals under atmospheric conditions. Experiments were performed in a wall independent reactor (WIR) installed in a walk-in cold chamber maintained constantly at -20C. Aerosol particles were added to the carrier gas of ambient air by an aerosol generator to allow heterogeneous ice formation. Temperature variations and hydrodynamic conditions of the WIR were investigated to determine the conditions for ice crystal formation and crystal growth by vapour deposition. In detail, the dependence of temperature variations from flow rate and temperature of the physical wall as well as temperature variations with an increasing reactor depth were studied. The conditions to provide a stable aerosol concentration in the carrier gas flow were also studied. The temperature distribution inside the reactor was strongly dependent on flow rate and physical wall temperature. At an inlet temperature of -20C, a flow rate of 30 Lmin-1 and a physical wall temperature of +5C turned out to provide ideal conditions for ice formation. At these conditions a sharp and stable laminar down draft "jet stream" of cold air in the centre of the reactor was produced. Temperatures measured at the chamber outlet were kept well below the freezing point in the whole reactor depth of 1.0 m. Thus, melting did not affect ice formation and crystal growth. The maximum residence time for airborne ice crystals was calculated to at 40 s. Ice crystal growth rates increased also with increasing reactor depth. The maximum ice crystal growth rate was calculated at 2.82 mg s-1. Further, the removal efficiency of the cleaning device for aerosol particles was 99.8% after 10 min. A reliable particle supply was attained after a preliminary lead time of 15 min. Thus, the minimum lead time was determined at 25 min. Several test runs revealed that the WIR is suitable to perform experiments with airborne ice crystals.

  9. Mechanisms of function by AF(G)Ps in ice crystal growth prevention, modification and recrystallization

    NASA Astrophysics Data System (ADS)

    Yeh, Yin

    2009-03-01

    Antifreeze activity by proteins and glycoproteins is a form of biomineralization process. Contrasting to covalent or ionic crystals, these hydrogen-bonded molecular crystals (ice) have much weaker crystalline bonding energy profiles. Thus, when interacting with proteins that are equally easy to change in conformation by variations of the hydrophilic/hydrophobic environment, some unique findings are suggestive that local conditions play significant roles in the activity level of these proteins or glycoproteins as they affect ice crystal growth, modification and recrystallization. We review some of these experiments and provide ideas for their functioning mechanisms.

  10. Polarimetric Signatures from Ice Crystals Observed at 95 GHz in Winter Clouds. Part I: Dependence on Crystal Form.

    NASA Astrophysics Data System (ADS)

    Wolde, Mengistu; Vali, Gabor

    2001-04-01

    Based on observations made with an airborne 95-GHz polarimetric cloud radar and in situ microphysical probes, the dependence of ZDR and linear depolarization ratio (LDR) values on ice crystal type and radar beam orientation was examined. Distinct ranges of ZDR and LDR values at various radar beam orientations were identified for simple planar and columnar crystals and for melting particles. The results also show that, based on ZDR and LDR values for different beam orientations, dendritic crystals can be distinguished from simpler hexagonal and branched crystals. Polarimetric signatures are almost exclusively associated with unrimed or slightly rimed crystals, therefore the presence of such signatures can help to identify cloud regions where such crystals dominate. The data generally agrees with previously reported results, though some differences are also noted. The observed ZDR and LDR values for simple crystal types are in reasonable agreement with theoretical predictions.

  11. Arctic ice shelves and ice islands: Origin, growth and disintegration, physical characteristics, structural-stratigraphic variability, and dynamics

    SciTech Connect

    Jeffries, M.O. )

    1992-08-01

    Ice shelves are thick, floating ice masses most often associated with Antarctica where they are seaward extensions of the grounded Antarctic ice sheet and sources of many icebergs. However, there are also ice shelves in the Arctic, primarily located along the north coast of Ellesmere Island in the Canadian High Arctic. The only ice shelves in North America and the most extensive in the north polar region, the Ellesmere ice shelves originate from glaciers and from sea ice and are the source of ice islands, the tabular icebergs of the Arctic Ocean. The present state of knowledge and understanding of these ice features is summarized in this paper. It includes historical background to the discovery and early study of ice shelves and ice islands, including the use of ice islands as floating laboratories for polar geophysical research. Growth mechanisms and age, the former extent and the twentieth century disintegration of the Ellesmere ice shelves, and the processes and mechanisms of ice island calving are summarized. Surface features, thickness, thermal regime, and the size, shape, and numbers of ice islands are discussed. The structural-stratigraphic variability of ice islands and ice shelves and the complex nature of their growth and development are described. Large-scale and small-scale dynamics of ice islands are described, and the results of modeling their drift and recurrence intervals are presented. The conclusion identifies some unanswered questions and future research opportunities and needs. 97 refs., 18 figs.

  12. Measurements of high number densities of ice crystals in the tops of tropical cumulonimbus

    NASA Astrophysics Data System (ADS)

    Knollenberg, R. G.; Kelly, K.; Wilson, J. C.

    1993-05-01

    Imaging and light scattering instruments were used during the January/February 1987 STEP Tropical Experiment at Darwin, Australia, to measure ice crystal size distributions in the tops of tropical cumulonimbus anvils associated with tropical cyclones and related cloud systems. Two light scattering instruments covered particles from 0.1-?m to 78-?m diameter. Particles larger than 50-?m diameter were imaged with a two-dimensional Grey optical array imaging probe. The measurements were made at altitudes ranging from 13 to 18 km at temperatures ranging from -60 to -90C. Additional measurements made in continental cumulonimbus anvils in the western United States offer a comparative data set. The tropical anvil penetrations revealed surprisingly high concentrations of ice crystals. Number densities were typically greater than 10 cm-3 with up to 100 cm-3 if one includes all particles larger than 0.1 ?m and can approach condensation nuclei in total concentration. In order to explain the high number densities, ice crystal nucleation at altitude is proposed with the freezing of fairly concentrated solution droplets in equilibrium at low relative humidities. Any dilute liquid phase is hypothesized to be transitory with a vanishingly short lifetime and limited to cloud levels nearer -40C. Homogeneous nucleation of ice involving H2SO4 nuclei is attractive in explaining the high number densities of small ice crystals observed near cloud top at temperatures below -60C. The tropical size distributions were converted to mass using a spherical equivalent size, while the continental anvil data were treated as crystalline plates. Comparisons of the ice water contents integrated from the mass distributions with total water contents measured with NOAA Lyman-alpha instruments require bulk densities equivalent to solid ice for best agreement. Correlation between the two data sets for a number of flight passes was quite good and was further improved by subtraction of water vapor density values ranging between ice and water saturation. Ice water contents up to 0.07 g m-3 were observed in the tropical anvils with over 0.1 g m-3 in continental anvils. The size distributions in tropical anvils generally reveal mass modes at sizes of 20-40 ?m. With rare exceptions, particles larger than 100 ?m were not observed near the cloud tops. In continental cumulonimbus anvils, much larger plate crystals approaching 1 mm in size account for the majority of the ice water. Most of the ice crystal mass lofted to anvil altitudes falls to lower levels prior to evaporating. The anvils can experience strong radiational heating as well as cooling depending upon lower cloud cover, particle size distribution, and time of day.

  13. Investigation of nucleation, dynamic growth and surface properties of single ice crystals

    NASA Astrophysics Data System (ADS)

    Voigtlaender, Jens; Herenz, Paul; Chou, Cdric; Bieligk, Henner; Clauss, Tina; Niedermeier, Dennis; Ritter, Georg; Ulanowski, Joseph Z.; Stratmann, Frank

    2014-05-01

    Nucleation, dynamic growth and optical light scattering properties of a fixed single ice crystal have been experimentally characterized in dependence of both, the type of the ice nucleus (IN) and the prevailing thermodynamic conditions. The set up was developed based on the laminar flow tube LACIS (Leipzig Aerosol Cloud Interaction Simulator, Stratmann et al., 2004; Hartmann et al., 2011). The flow tube is equipped with a SID3-type (Small Ice Detector, Kaye et al., 2008) instrument called LISA (LACIS Ice Scattering Apparatus) and an additional optical microscope. For the investigations, a single (IN with a dry size of 2-10 micrometer is attached to a thin glass fiber and positioned within the optical measuring volume of LISA. The fixed particle is exposed to the thermodynamically controlled air flow, exiting the flow tube. Temperature and saturation ratio in the measuring volume can be varied on a time scale of 1-2 s by adjusting the humidified gas flow. Dependent on the thermodynamic conditions, ice nucleation and ice particle growth/shrinkage occur and can be studied. Thereby, the LISA instrument is applied to obtain 2-D light scattering patterns, and the additional optical microscope allows a time dependent visualization of the ice crystal. Both devices together allow to investigate the influence of the thermodynamic conditions on ice particle growth, the particle shape and its surface properties (i.e., its surface roughness, Ulanowski et al., 2011; Ulanowski et al., 2012; Ulanowski et al., 2013)). The thermodynamic conditions in the optical measuring volume have been extensively characterized using a) computational fluid dynamics (CFD) calculations, b) temperature and dew-point measurements, and c) evaluation of droplet and ice particle growth data. Furthermore, we successfully performed condensation freezing and deposition nucleation experiments with ATD (Arizona Test Dust), kaolinite, illite and SnomaxTM (Johnson Controls Snow, Colorado, USA) particles. In the experiments we could prove that different types of IN, as well as different temperatures and saturation ratios result in different growth rates and ice crystal shapes, but also in different surface properties. Regarding on single ice crystal, the surface roughness can also be modified by varying the prevailing thermodynamic conditions. Thereby, the surface roughness tends to increase for growing and to decrease for shrinking particles. Here, we will present current results of the thermodynamic characterization measurements and the ongoing ice crystal growth experiments.

  14. Formation of atmospheric halos and applicability of geometric optics for calculating single-scattering properties of hexagonal ice crystals: Impacts of aspect ratio and ice crystal size

    NASA Astrophysics Data System (ADS)

    Um, Junshik; McFarquhar, Greg M.

    2015-11-01

    In order to determine the threshold sizes at which hexagonal ice crystals begin to form atmospheric halos (i.e., 22 and 46 halos) and the applicability of the conventional geometric optics method (GOM), the single-scattering properties (i.e., phase matrix, asymmetry parameter g, and extinction efficiency Qext) of randomly oriented hexagonal ice crystals were calculated using the Amsterdam discrete dipole approximation (ADDA) and conventional GOM at a wavelength ? = 0.55 ?m. For these calculations, a width (W) of up to 36 ?m and a length (L) of up to 48 ?m of hexagonal ice crystals with aspect ratios (AR=L/W) of 0.1, 0.25, 0.5, 1.0, 2.0, and 4.0 were used. Further, a halo ratio and power spillover index (?) were used to quantify the intensity of 22 and 46 atmospheric halos as functions of sizes and ARs of hexagonal ice crystals. The phase matrixes, g, and Qext, calculated using ADDA and conventional GOM became closer as the crystal size increased for all six ARs. There was better agreement between ADDA and GOM simulations at smaller sizes for hexagonal crystals with compact shapes (e.g., AR=1.0) compared to that for crystals with either oblate (e.g., AR=0.1) or prolate (e.g., AR=4.0) shapes. The errors in the conventional GOM were ~1.2% (7.0%) for g (Qext) of hexagonal crystals with volume-equivalent-sphere size parameter (?veq) of 90 for all ARs, whereas they were ~0.8% (3.3%) for hexagonal crystals with ?veq=100. It was shown that the lower size limit of the applicability of conventional GOM depends on particle shape. The 22 and 46 halos were produced at smaller crystal sizes and the intensity of a halo was more pronounced at a given size for crystals with a compact shape compared to those with more prolate or oblate shapes. The calculated 22 halo forming sizes of hexagonal crystals with AR=0.1 (0.25; 0.5; 1.0; 2.0; 4.0) were ~52 (60; 58; 49; 61; 77) for ?veq: these halo forming sizes vary for different definitions of size parameter and were ~74 (72; 64; 53; 69; 93) for surface-equivalent-sphere size parameter (?seq) and ~103 (90; 68; 45; 91; 182) for conventional size parameter (?D). The calculated 46 halo forming ?veq of hexagonal crystals with AR=0.5 (1.0; 2.0) were ~58 (49; 92), ~64 (53; 112) for ?seq, and ~68 (45; 223) for ?D. The intensities of the 22 and 46 halos increased with crystal size for all six ARs. The calculations of ? of 22 and 46 halos showed that hexagonal ice crystals with much larger sizes were required to produce well-defined 46 halos compared with 22 halos. However, large crystals tend to have preferred orientations that prevent formation of halos, which might be why 46 halos are much less frequent than 22 halos in the atmosphere.

  15. Crystal structure of lignin peroxidase

    SciTech Connect

    Edwards, S.L. National Institutes of Health, Bethesda, MD ); Raag, R. ); Wariishi, Hiroyuki; Gold, M.H. ); Poulos, T.L. Univ. of California, Irvine )

    1993-01-15

    The crystal structure of lignin peroxidase (LiP) from the basidiomycete Phanerochaete chrysosporium has been determined to 2.6 [Angstrom] resolution by using multiple isomorphous replacement methods and simulated annealing refinement. Of the 343 residues, residues 3-335 have been accounted for in the electron density map, including four disulfide bonds. The overall three-dimensional structure is very similar to the only other peroxidase in this group for which a high-resolution crystal structure is available, cytochrome c peroxidase, despite the fact that the sequence identity is only [approx]20%, LiP has four disulfide bonds, while cytochrome c peroxidase has none, and Lip is larger (343 vs. 294 residues). The basic helical fold and connectivity defined by 11 helical segments with the heme sandwiched between the distal and proximal helices found in cytochrome c peroxidase is maintained in LiP. Both enzymes have a histidine as a proximal heme ligand, which is hydrogen bonded to a buried aspartic acid side chain. The distal or peroxide binding pocket also is similar, including the distal arginine and histidine. The most striking difference is that, whereas cytochrome c peroxidase has tryptophans contacting the distal and proximal heme surfaces, LiP has phenylalanines. This in part explains why, in the reaction with peroxides, cytochrome c peroxidase forms an amino acid-centered free radical, whereas LiP forms a porphyrin [pi] cation radical. 42 refs., 4 figs., 2 tabs.

  16. Crystal structure of lignin peroxidase.

    PubMed Central

    Edwards, S L; Raag, R; Wariishi, H; Gold, M H; Poulos, T L

    1993-01-01

    The crystal structure of lignin peroxidase (LiP) from the basidiomycete Phanerochaete chrysosporium has been determined to 2.6 A resolution by usine multiple isomorphous replacement methods and simulated annealing refinement. Of the 343 residues, residues 3-335 have been accounted for in the electron density map, including four disulfide bonds. The overall three-dimensional structure is very similar to the only other peroxidase in this group for which a high-resolution crystal structure is available, cytochrome c peroxidase, despite the fact that the sequence identity is only approximately 20%, LiP has four disulfide bonds, while cytochrome c peroxidase has none, and LiP is larger (343 vs. 294 residues). The basic helical fold and connectivity defined by 11 helical segments with the heme sandwiched between the distal and proximal helices found in cytochrome c peroxidase is maintained in LiP. Both enzymes have a histidine as a proximal heme ligand, which is hydrogen bonded to a buried aspartic acid side chain. The distal or peroxide binding pocket also is similar, including the distal arginine and histidine. The most striking difference is that, whereas cytochrome c peroxidase has tryptophans contacting the distal and proximal heme surfaces, LiP has phenylalanines. This in part explains why, in the reaction with peroxides, cytochrome c peroxidase forms an amino acid-centered free radical, whereas LiP forms a porphyrin pi cation radical. Images PMID:11607355

  17. laboratory studies on the uptake of organic compounds by ice crystals

    NASA Astrophysics Data System (ADS)

    Fries, E.; Jaeschke, W.

    2003-04-01

    Anthropogenic aerosols produced from biomass burning are known to increase the number of cloud condensation nuclei in the atmosphere at most latitudes. This reduces cloud droplet size, which prevents raindrop formation at shallower levels in the atmosphere. Vertical convection processes force particles and water vapor to rise up to the upper troposphere. At lower temperatures, ice crystals are formed via heterogeneous freezing of supercooled droplets containing particles known as ice nuclei (IN) and/or via condensation of supercooled water onto IN directly from the vapor, followed by freezing. Ice crystals grow by vapor deposition, by collision of supercooled drops with ice particles and by collision of ice crystals. The grown ice crystals melt on their way down and turn into rain. Most of the precipitation falling to the surface at midlatitudes originates as ice. The adsorption of organic gases emitted from fossil fuel combustion like BTEX may alter particle growth and sublimation rates in the atmosphere. This may also change precipitation rates, which impact the climate world-wide. Considering importance of ice in atmospheric science, laboratory studies are carried out to quantify organic vapor adsorption onto ice. At temperatures between 0 and -40^oC, organic gases at ppb gas levels are allowed to adsorb to the surface of ice crystals with surface properties similar to atmospheric ice. For the experiments, a vertical ice chamber (stainless-steel) with 10 different screen inserts (stainless-steel) was constructed. The chamber is 39 cm in length and 10,5 cm in diameter. The size of the stainless-steel mesh of the screens was chosen by the size of the ice crystals and is 0.14 cm. The ice chamber is located inside a 2x2 m walk-in cold chamber. Prior to the addition of the organic gases, the precleaned carrier gas of synthetic air is humidified to ice saturation in the walk-in cold chamber by passing the carrier stream through a 10 m long and 5 cm in diameter aluminum pipe. Resulting super cooled droplets are removed by stainless-steel-wool. The carrier gas is mixed outside the ice chamber in various proportions with a defined gas mixture of 60 different organic compounds. This mixture is allowed to flow through the ice chamber at defined pressures and temperatures. The concentrations of the compounds in the gas phase are determined at the inlet and the outlet of the ice chamber by a mobile GC (AirmoVoc1020). Additionally, the amount of adsorbed compounds is determined by a very sensitive method based on solid-phase-micro-extraction (SPME) followed by GC/FID. The resulting sorption coefficients for different gas concentrations are plotted vs the reciprocal of the absolute temperature for all substances. First results dealing with the adsorption properties of the investigated organic compounds.

  18. Effects of preexisting ice crystals on cirrus clouds and comparison between different ice nucleation parameterizations with the Community Atmosphere Model (CAM5)

    NASA Astrophysics Data System (ADS)

    Shi, X.; Liu, X.; Zhang, K.

    2014-07-01

    In order to improve the treatment of ice nucleation in a more realistic manner in the Community Atmospheric Model version 5.3 (CAM5.3), the effects of preexisting ice crystals on ice nucleation in cirrus clouds are considered. In addition, by considering the in-cloud variability in ice saturation ratio, homogeneous nucleation takes place spatially only in a portion of cirrus cloud rather than in the whole area of cirrus cloud. With these improvements, the two unphysical limiters used in the representation of ice nucleation are removed. Compared to observations, the ice number concentrations and the probability distributions of ice number concentration are both improved with the updated treatment. The preexisting ice crystals significantly reduce ice number concentrations in cirrus clouds, especially at mid- to high latitudes in the upper troposphere (by a factor of ~10). Furthermore, the contribution of heterogeneous ice nucleation to cirrus ice crystal number increases considerably. Besides the default ice nucleation parameterization of Liu and Penner (2005, hereafter LP) in CAM5.3, two other ice nucleation parameterizations of Barahona and Nenes (2009, hereafter BN) and Krcher et al. (2006, hereafter KL) are implemented in CAM5.3 for the comparison. In-cloud ice crystal number concentration, percentage contribution from heterogeneous ice nucleation to total ice crystal number, and preexisting ice effects simulated by the three ice nucleation parameterizations have similar patterns in the simulations with present-day aerosol emissions. However, the change (present-day minus pre-industrial times) in global annual mean column ice number concentration from the KL parameterization (3.24 106 m-2) is obviously less than that from the LP (8.46 106 m-2) and BN (5.62 106 m-2) parameterizations. As a result, experiment using the KL parameterization predicts a much smaller anthropogenic aerosol longwave indirect forcing (0.24 W m-2) than that using the LP (0.46 W m-2) and BN (0.39 W m-2) parameterizations.

  19. Effects of Pre-Existing Ice Crystals on Cirrus Clouds and Comparison between Different Ice Nucleation Parameterizations with the Community Atmosphere Model (CAM5)

    SciTech Connect

    Shi, Xiangjun; Liu, Xiaohong; Zhang, Kai

    2015-01-01

    In order to improve the treatment of ice nucleation in a more realistic manner in the Community Atmospheric Model version 5.3 (CAM5.3), the effects of preexisting ice crystals on ice nucleation in cirrus clouds are considered. In addition, by considering the in-cloud variability in ice saturation ratio, homogeneous nucleation takes place spatially only in a portion of cirrus cloud rather than in the whole area of cirrus cloud. With these improvements, the two unphysical limiters used in the representation of ice nucleation are removed. Compared to observations, the ice number concentrations and the probability distributions of ice number concentration are both improved with the updated treatment. The preexisting ice crystals significantly reduce ice number concentrations in cirrus clouds, especially at mid- to high latitudes in the upper troposphere (by a factor of ~10). Furthermore, the contribution of heterogeneous ice nucleation to cirrus ice crystal number increases considerably.Besides the default ice nucleation parameterization of Liu and Penner (2005, hereafter LP) in CAM5.3, two other ice nucleation parameterizations of Barahona and Nenes (2009, hereafter BN) and Kärcher et al. (2006, hereafter KL) are implemented in CAM5.3 for the comparison. In-cloud ice crystal number concentration, percentage contribution from heterogeneous ice nucleation to total ice crystal number, and preexisting ice effects simulated by the three ice nucleation parameterizations have similar patterns in the simulations with present-day aerosol emissions. However, the change (present-day minus pre-industrial times) in global annual mean column ice number concentration from the KL parameterization (3.24×106 m-2) is obviously less than that from the LP (8.46×106 m-2) and BN (5.62×106 m-2) parameterizations. As a result, experiment using the KL parameterization predicts a much smaller anthropogenic aerosol longwave indirect forcing (0.24 W m-2) than that using the LP (0.46 W m-2) and BN (0.39 W m-2) parameterizations.

  20. [Radiative Properties of Cirrus Clouds Based on Hexagonal and Spherical Ice Crystals Models].

    PubMed

    Husltu; Bao, Yu-hai; Xu, Jian; Qing, Song; Bao, Gang

    2015-05-01

    Single scattering properties for spherical and hexagonal ice crystal models with different size parameters and wavelengths were employed to calculate satellite observed radiation and downward flux in ground surface using RSTAR radiative transfer model. Results indicated that simulated satellite observed radiation and ground surface downward radiant flux from different shapes of ice crystal models were different. The difference in the spectral radiation fluxes between 0. 4 and 1. 0 m was largest, and particle shapes affected the downward radiant flux significantly. It was verified that the proper selection of the effective ice crystal model is not only important for retrieval of the microphysical and optical parameters of the cirrus cloud, but also important for obtaining the radiant flux on the earth's surface correctly. These results are important for retrieving cloud microphysical parameters and simulation of the ground surface downward radiant flux. PMID:26415420

  1. Ice shelf structure derived from dispersion curve analysis of ambient seismic noise, Ross Ice Shelf, Antarctica

    NASA Astrophysics Data System (ADS)

    Diez, A.; Bromirski, P. D.; Gerstoft, P.; Stephen, R. A.; Anthony, R. E.; Aster, R.; Cai, C.; Nyblade, A.; Wiens, D. A.

    2016-02-01

    An L-configured, three-component short period seismic array was deployed on the Ross Ice Shelf, Antarctica during November 2014. Polarization analysis of ambient noise data from these stations shows linearly polarized waves for frequency bands between 0.2-2 Hz. A spectral peak at about 1.6 Hz is interpreted as the resonance frequency of the water column, and is used to estimate the water layer thickness below the ice shelf. The frequency band from 4 to 18 Hz is dominated by Rayleigh and Love waves propagating from the north that, based on daily temporal variations, we conclude were generated by field camp activity. Frequency-slowness plots were calculated using beamforming. Resulting Love and Rayleigh wave dispersion curves were inverted for the shear wave velocity profile within the firn and ice to ˜150 m depth. The derived density profile allows estimation of the pore close-off depth and the firn-air content thickness. Separate inversions of Rayleigh and Love wave dispersion curves gives different shear-wave velocity profiles within the firn. We attribute this difference to an effective anisotropy due to fine layering. The layered structure of firn, ice, water, and the seafloor results in a characteristic dispersion curve below 7 Hz. Forward modeling the observed Rayleigh wave dispersion curves using representative firn, ice, water, sediment structures indicates that Rayleigh waves are observed when wavelengths are long enough to span the distance from the ice shelf surface to the seafloor. The forward modeling shows that analysis of seismic data from an ice shelf provides the possibility of resolving ice shelf thickness, water column thickness, and the physical properties of the ice shelf and underlying seafloor using passive-source seismic data.

  2. Two types of quasi-liquid layers on ice crystals are formed kinetically.

    PubMed

    Asakawa, Harutoshi; Sazaki, Gen; Nagashima, Ken; Nakatsubo, Shunichi; Furukawa, Yoshinori

    2016-02-16

    Surfaces of ice are covered with thin liquid water layers, called quasi-liquid layers (QLLs), even below their melting point (0 °C), which govern a wide variety of phenomena in nature. We recently found that two types of QLL phases appear that exhibit different morphologies (droplets and thin layers) [Sazaki G. et al. (2012) Proc Natl Acad Sci USA 109(4):1052-1055]. However, revealing the thermodynamic stabilities of QLLs remains a longstanding elusive problem. Here we show that both types of QLLs are metastable phases that appear only if the water vapor pressure is higher than a certain critical supersaturation. We directly visualized the QLLs on ice crystal surfaces by advanced optical microscopy, which can detect 0.37-nm-thick elementary steps on ice crystal surfaces. At a certain fixed temperature, as the water vapor pressure decreased, thin-layer QLLs first disappeared, and then droplet QLLs vanished next, although elementary steps of ice crystals were still growing. These results clearly demonstrate that both types of QLLs are kinetically formed, not by the melting of ice surfaces, but by the deposition of supersaturated water vapor on ice surfaces. To our knowledge, this is the first experimental evidence that supersaturation of water vapor plays a crucially important role in the formation of QLLs. PMID:26831089

  3. Two Dimensional Ice from First Principles: Structures and Phase Transitions.

    PubMed

    Chen, Ji; Schusteritsch, Georg; Pickard, Chris J; Salzmann, Christoph G; Michaelides, Angelos

    2016-01-15

    Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps in the understanding of the structures and phase transitions of low-dimensional water ice remain. Here, we report a first principles study of confined 2D ice as a function of pressure. We find that at ambient pressure hexagonal and pentagonal monolayer structures are the two lowest enthalpy phases identified. Upon mild compression, the pentagonal structure becomes the most stable and persists up to ∼2  GPa, at which point the square and rhombic phases are stable. The square phase agrees with recent experimental observations of square ice confined within graphene sheets. This work provides a fresh perspective on 2D confined ice, highlighting the sensitivity of the structures observed to both the confining pressure and the width. PMID:26824547

  4. Two Dimensional Ice from First Principles: Structures and Phase Transitions

    NASA Astrophysics Data System (ADS)

    Chen, Ji; Schusteritsch, Georg; Pickard, Chris J.; Salzmann, Christoph G.; Michaelides, Angelos

    2016-01-01

    Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps in the understanding of the structures and phase transitions of low-dimensional water ice remain. Here, we report a first principles study of confined 2D ice as a function of pressure. We find that at ambient pressure hexagonal and pentagonal monolayer structures are the two lowest enthalpy phases identified. Upon mild compression, the pentagonal structure becomes the most stable and persists up to 2 GPa , at which point the square and rhombic phases are stable. The square phase agrees with recent experimental observations of square ice confined within graphene sheets. This work provides a fresh perspective on 2D confined ice, highlighting the sensitivity of the structures observed to both the confining pressure and the width.

  5. Structural characterization of ice polymorphs from self-avoiding walks

    NASA Astrophysics Data System (ADS)

    Herrero, Carlos P.

    2014-08-01

    Topological properties of crystalline ice structures are studied by means of self-avoiding walks on their H-bond networks. The number of self-avoiding walks, Cn, for eight ice polymorphs has been obtained by direct enumeration up to walk length n=27. This has allowed us to determine the ‘connective constant' or effective coordination number μ of these structures as the limit of the ratio Cn/Cn-1 for large n. This structure-dependent parameter μ is related with other topological characteristics of ice polymorphs, such as the mean and minimum ring size, or the topological density of network sites. A correlation between the connective constant and the configurational entropy of hydrogen-disordered ice structures is discussed.

  6. Seismic wave propagation in anisotropic ice - Part 2: Effects of crystal anisotropy in geophysical data

    NASA Astrophysics Data System (ADS)

    Diez, A.; Eisen, O.; Hofstede, C.; Lambrecht, A.; Mayer, C.; Miller, H.; Steinhage, D.; Binder, T.; Weikusat, I.

    2015-02-01

    We investigate the propagation of seismic waves in anisotropic ice. Two effects are important: (i) sudden changes in crystal orientation fabric (COF) lead to englacial reflections; (ii) the anisotropic fabric induces an angle dependency on the seismic velocities and, thus, recorded travel times. Velocities calculated from the polycrystal elasticity tensor derived for the anisotropic fabric from measured COF eigenvalues of the EDML ice core, Antarctica, show good agreement with the velocity trend determined from vertical seismic profiling. The agreement of the absolute velocity values, however, depends on the choice of the monocrystal elasticity tensor used for the calculation of the polycrystal properties. We make use of abrupt changes in COF as a common reflection mechanism for seismic and radar data below the firn-ice transition to determine COF-induced reflections in either data set by joint comparison with ice-core data. Our results highlight the possibility to complement regional radar surveys with local, surface-based seismic experiments to separate isochrones in radar data from other mechanisms. This is important for the reconnaissance of future ice-core drill sites, where accurate isochrone (i.e. non-COF) layer integrity allows for synchronization with other cores, as well as studies of ice dynamics considering non-homogeneous ice viscosity from preferred crystal orientations.

  7. DISCOVERY OF CRYSTALLIZED WATER ICE IN A SILHOUETTE DISK IN THE M43 REGION

    SciTech Connect

    Terada, Hiroshi; Tokunaga, Alan T.

    2012-07-01

    We present the 1.9-4.2 {mu}m spectra of the five bright (L {<=} 11.2) young stars associated with silhouette disks with a moderate to high inclination angle of 39 Degree-Sign -80 Degree-Sign in the M42 and M43 regions. The water ice absorption is seen toward d121-1925 and d216-0939, while the spectra of d182-316, d183-405, and d218-354 show no water ice feature around 3.1 {mu}m within the detection limits. By comparing the water ice features toward nearby stars, we find that the water ice absorption toward d121-1925 and d216-0939 most likely originates from the foreground material and the surrounding disk, respectively. The angle of the disk inclination is found to be mainly responsible for the difference of the optical depth of the water ice among the five young stars. Our results suggest that there is a critical inclination angle between 65 Degree-Sign and 75 Degree-Sign for the circumstellar disk where the water ice absorption becomes strong. The average density at the disk surface of d216-0939 was found to be 6.38 Multiplication-Sign 10{sup -18} g cm{sup -3}. The water ice absorption band in the d216-0939 disk is remarkable in that the maximum optical depth of the water ice band is at a longer wavelength than detected before. It indicates that the primary carrier of the feature is purely crystallized water ice at the surface of the d216-0939 disk with characteristic size of {approx}0.8 {mu}m, which suggests grain growth. This is the first direct detection of purely crystallized water ice in a silhouette disk.

  8. Enhanced High-Temperature Ice Nucleation Ability of Crystallized Aerosol Particles after Pre-Activation at Low Temperature

    NASA Astrophysics Data System (ADS)

    Wagner, R.; Moehler, O.; Saathoff, H.; Schnaiter, M.

    2014-12-01

    The term pre-activation in heterogeneous ice nucleation describes the observation that the ice nucleation ability of solid ice nuclei may improve after they have already been involved in ice crystal formation or have been exposed to a temperature lower than 235 K. This can be explained by the retention of small ice embryos in cavities or crevices at the particle surface or by the capillary condensation and freezing of supercooled water, respectively. In recent cloud chamber experiments with crystallized aqueous ammonium sulfate, oxalic acid, and succinic acid solution droplets, we have unraveled a further pre-activation mechanism under ice subsaturated conditions which does not require the preceding growth of ice on the seed aerosol particles (Wagner, R. et al., J. Geophys. Res. Atmos., 119, doi: 10.1002/2014JD021741). First cloud expansion experiments were performed at a high temperature (267 - 244 K) where the crystallized particles did not promote any heterogeneous ice nucleation. Ice nucleation at this temperature, however, could be triggered by temporarily cooling the crystallized particles to a lower temperature. This is because upon crystallization, residuals of the aqueous solution are trapped within the crystals. These captured liquids can freeze when cooled below their respective homogeneous or heterogeneous freezing temperature, leading to the formation of ice pockets in the crystalline particles. When warmed again to the higher temperature, ice formation by the pre-activated particles occurred via depositional and deliquescence-induced ice growth, with ice active fractions ranging from 1 to 4% and 4 to 20%, respectively. Pre-activation disappeared above the eutectic temperature, which for the organic acids are close to the melting point of ice. This mechanism could therefore contribute to the very small fraction of atmospheric aerosol particles that are still ice active well above 263 K.

  9. Woven structures produced by depositing electrospun fibers onto ice collectors

    NASA Astrophysics Data System (ADS)

    Li, Jianlin; Yi, Xi

    2010-03-01

    Using ice collectors in the electrospinning process, various woven products of unique configurations, such as cross tubes, triangular tubes and mats, have been successfully deposited on the collectors surfaces. These products are harvested without destroying their original fibrous structures after the ice melts away. Having a structure of randomly distributed fibers, the product aligns its fibers during the tensile process and reaches the greatest tensile strength at a strain of 25%.

  10. Structures and fabrics in glacial ice: A review

    NASA Astrophysics Data System (ADS)

    Hudleston, Peter J.

    2015-12-01

    Glaciers, ice sheets and ice caps represent tectonic systems driven by gravity. Their movement can be studied in real time and the rheological properties and strength of ice determined from laboratory experiments and field measurements. All glacial ice has primary stratification, exhibited by variations in grain size, bubble content and debris content. As it deforms, with deformation dominated by plastic flow and recrystallization, accompanied locally by fracture under tension, a suite of structures develops that reflects the primary fabric of the ice and the anisotropy that develops as a result of cumulative deformation. Initial variations in solid impurity content and strain dependent anisotropy as a result of a crystallographic fabric give rise to effective viscosity increases or decreases compared to isotropic polycrystalline ice of about a factor of ten. Foliation develops from inherited (mostly stratification) or introduced (mostly ice veins or fracture traces) fabric elements and from dynamic recrystallization. It is largely dependent on the accumulated strain, which is highest at the base and near the margins of glaciers, ice sheets and ice streams. Folds develop largely passively due to initial amplification of irregularities in the primary stratification, to variations in flow with time or to inhomogeneous flow associated with shear zones and ductile accommodation around open fractures. Buckle folds and boudinage, mostly on a small scale, occur where viscosity contrast is large, mostly in basal ice. Thrusting and wrench faulting are documented in surging glaciers but theoretically most unlikely and rare or absent elsewhere. Many structures interpreted as faults are not due to shear failure but rather result from shear displacements during opening and closing of tensile fractures.

  11. Structural and spectroscopic characterization of mixed planetary ices.

    PubMed

    Plattner, Nuria; Lee, Myung Won; Meuwly, Markus

    2010-01-01

    Mixed ices play a central role in characterizing the origin, evolution, stability and chemistry of planetary ice surfaces. Examples include the polar areas of Mars, the crust of the Jupiter moon Europa, or atmospheres of planets and their satellites, particularly in the outer solar system. Atomistic simulations using accurate representations of the interaction potentials have recently shown to be suitable to quantitatively describe both, the mid- and the far-infrared spectrum of mixed H2O/CO amorphous ices. In this work, molecular dynamics simulations are used to investigate structural and spectroscopic properties of mixed and crystalline ices containing H2O, CO and CO2. Particular findings include: (a) the sensitivity of the water bending mode to the local environment of the water molecules which, together with structural insights from MD simulations, provides a detailed picture for the relationship between spectroscopy and structure; and (b) the sensitivity of the low-frequency spectrum to the structure of the mixed CO2/H2O ice. Specifically, for mixed H2O/CO2 ices with low water contents isolated water molecules are found which give rise to a band shifted by only 12 cm(-1) from the gas-phase value whereas for increasing water concentration (for a 1 : 1 mixture) the band progressively shifts to higher frequency because water clusters can form. More generally it is found that changes in the ice structure due to the presence of CO2 are larger compared to changes induced by the presence of CO and that this difference is reflected in the shape of the water bending vibration. Thus, the water bending vibration appears to be a suitable diagnostic for structural and chemical aspects of mixed ices. PMID:21302549

  12. On the Importance of Small Ice Crystals in Tropical Anvil Cirrus

    NASA Technical Reports Server (NTRS)

    Jensen, E. J.; Lawson, P.; Baker, B.; Pilson, B.; Mo, Q.; Heymsfield, A. J.; Bansemer, A.; Bui, T. P.; McGill, M.; Hlavka, D.; Heymsfield, G.; Platnick, S.; Arnold, G. T.; Tanelli, S.

    2009-01-01

    In situ measurements of ice crystal concentrations and sizes made with aircraft instrumentation over the past two decades have often indicated the presence of numerous relatively small (< 50 m diameter) crystals in cirrus clouds. Further, these measurements frequently indicate that small crystals account for a large fraction of the extinction in cirrus clouds. The fact that the instruments used to make these measurements, such as the Forward Scattering Spectrometer Probe (FSSP) and the Cloud Aerosol Spectrometer (CAS), ingest ice crystals into the sample volume through inlets has led to suspicion that the indications of numerous small ]crystals could be artifacts of large ]crystal shattering on the instrument inlets. We present new aircraft measurements in anvil cirrus sampled during the Tropical Composition, Cloud, and Climate Coupling (TC4) campaign with the 2 ] Dimensional Stereo (2D ]S) probe, which detects particles as small as 10 m. The 2D ]S has detector "arms" instead of an inlet tube. Since the 2D ]S probe surfaces are much further from the sample volume than is the case for the instruments with inlets, it is expected that 2D ]S will be less susceptible to shattering artifacts. In addition, particle inter ]arrival times are used to identify and remove shattering artifacts that occur even with the 2D ]S probe. The number of shattering artifacts identified by the 2D ]S interarrival time analysis ranges from a negligible contribution to an order of magnitude or more enhancement in apparent ice concentration over the natural ice concentration, depending on the abundance of large crystals and the natural small ]crystal concentration. The 2D ]S measurements in tropical anvil cirrus suggest that natural small ]crystal concentrations are typically one to two orders of magnitude lower than those inferred from CAS. The strong correlation between the CAS/2D ]S ratio of small ]crystal concentrations and large ]crystal concentration suggests that the discrepancy is likely caused by shattering of large crystals on the CAS inlet. We argue that past measurements with CAS in cirrus with large crystals present may contain errors due to crystal shattering, and past conclusions derived from these measurements may need to be revisited. Further, we present correlations between CAS spurious concentration and 2D ]S large ]crystal mass from spatially uniform anvil cirrus sampling periods as an approximate guide for estimating quantitative impact of large ]crystal shattering on CAS concentrations in previous datasets. We use radiative transfer calculations to demonstrate that in the maritime anvil cirrus sampled during TC4, small crystals indicated by 2D ]S contribute relatively little cloud extinction, radiative forcing, or radiative heating in the anvils, regardless of anvil age or vertical location in the clouds. While 2D ]S ice concentrations in fresh anvil cirrus may often exceed 1 cm.3, and are observed to exceed 10 cm.3 in turrets, they are typically 0.1 cm.3 and rarely exceed 1 cm.3 (<1.4% of the time) in aged anvil cirrus. We hypothesize that isolated occurrences of higher ice concentrations in aged anvil cirrus may be caused by ice nucleation driven by either small ]scale convection or gravity waves. It appears that the numerous small crystals detrained from convective updrafts do not persist in the anvil cirrus sampled during TC ]4.

  13. Formation and structure of refrozen cracks in land-fast first-year sea ice

    NASA Astrophysics Data System (ADS)

    Petrich, Chris; Langhorne, Pat J.; Haskell, Tim G.

    2007-04-01

    This study characterizes the healing process and structure of undeformed, linear, parallel-sided, flooded cracks in land-fast sea ice. Field investigations and refreezing experiments were performed in McMurdo Sound, Ross Sea, Antarctica, between 1998 and 2002. Data from a two-dimensional thermistor array are used to show that the ice-water interface of freezing cracks is arch-shaped due to bidirectional heat flow to the surrounding ice cover and to the atmosphere. Ice growing laterally into the crack is found to desalinate over a prolonged period of time, until the isotherms are approximately horizontal. Superposition of heat flow to the atmosphere and to the host sea ice sheet allows the refreezing progress to be modeled analytically. Close to the ice-air interface, the salinity is higher at the sides of wide refrozen cracks than it is at the center. However, deeper down and in narrower cracks in general, the salinity is higher at the center than at the sides. A finite volume, computational fluid dynamics (CFD) model reproduces the generally arch-shaped alignment of brine pockets. This pattern is attributed to convection in the mushy layer. Crystals are found to grow upstream into the crack due to a salinity gradient in the buoyant convective flow.

  14. Simulations of Photonic Crystal and Dielectric Structures

    SciTech Connect

    Werner, G. R.

    2010-11-04

    Dielectric materials and photonic crystal structures have electromagnetic properties that could potentially offer great benefits for accelerators. Computer simulation plays a critical role in designing, understanding, and optimizing these structures, especially the non-intuitive photonic crystal structures for which there is no relevant zeroth-order analytic model.

  15. Simplification for Fraunhofer diffracting pattern of various randomly oriented ice crystals in cirrus.

    PubMed

    Pujol, Olivier; Brogniez, Grard; Labonnote, Laurent

    2012-09-01

    This paper deals with Fraunhofer diffraction by an ensemble of independent randomly oriented ice crystals of assorted shapes, like those of cirrus clouds. There is no restriction on the shape of each crystal. It is shown that light flux density in the Fourier plane is azimuth-invariant and varies as 1/sin(4)?, ? being the angle of diffraction. The analytical formula proposed is exact. The key point of this study is conservation of electromagnetic energy. PMID:23201960

  16. Best face forward: crystal-face competition at the ice-water interface.

    PubMed

    Shultz, Mary Jane; Bisson, Patrick J; Brumberg, Alexandra

    2014-07-17

    The ice-water interface plays an important role in determining the outcome of both biological and environmental processes. Under ambient pressure, the most stable form of ice is hexagonal ice (Ih). Experimentally probing the surface free energy between each of the major faces of Ih ice and the liquid is both experimentally and theoretically challenging. The basis for the challenge is the near-equality of the surface free energy for the major faces along with the tendency of water to supercool. As a result, morphology from crystallization initiated below 0 C is kinetically controlled. The reported work circumvents supercooling consequences by providing a polycrystalline seed, followed by isothermal, equilibrium growth. Natural selection among seeded faces results in a single crystal. A record of the growth front is preserved in the frozen boule. Crystal orientation at the front is revealed by examining the boule cross section with two techniques: (1) viewing between crossed polarizers to locate the optical axis and (2) etching to distinguish the primary-prism face from the secondary-prism face. Results suggest that the most stable ice-water interface at 0 C is the secondary-prism face, followed by the primary-prism face. The basal face that imparts the characteristic hexagonal shape to snowflakes is a distant third. The results contrast with those from freezing the vapor where the basal and primary-prism faces have comparable free energy followed by the secondary-prism face. PMID:24784996

  17. Seismic wave propagation in anisotropic ice - Part 2: Effects of crystal anisotropy in geophysical data

    NASA Astrophysics Data System (ADS)

    Diez, A.; Eisen, O.; Hofstede, C.; Lambrecht, A.; Mayer, C.; Miller, H.; Steinhage, D.; Binder, T.; Weikusat, I.

    2014-08-01

    We investigate the propagation of seismic waves in anisotropic ice. Two effects are important: (i) sudden changes in crystal orientation fabric (COF) lead to englacial reflections; (ii) the anisotropic fabric induces an angle dependency on the seismic velocities and, thus, recorded traveltimes. Velocities calculated from the polycrystal elasticity tensor derived for the anisotropic fabric from measured COF eigenvalues of the EDML ice core, Antarctica, show good agreement with the velocity trend determined from a vertical seismic profiling. The agreement of the absolute velocity values, however, depends on the choice of the monocrystal elasticity tensor used for the calculation of the polycrystal properties. With this validation of seismic velocities we make use of abrupt changes in COF as common reflection mechanism for seismic and radar data below the firn-ice transition to investigate their occurrence by comparison with ice-core data. Our results highlight the possibility to complement regional radar surveys with local, surface-based seismic deployment to separate isochrones in radar data from other mechanisms. This is important for the reconnaissance of future ice-core drill sites, where accurate isochrone (i.e. non-COF) layer integrity allows for synchronization with other cores, as well as studies of ice dynamics considering non-homogeneous viscosity from preferred crystal orientations.

  18. Distributions of ice supersaturation and ice crystals from airborne observations in relation to upper tropospheric dynamical boundaries

    NASA Astrophysics Data System (ADS)

    Diao, Minghui; Jensen, Jorgen B.; Pan, Laura L.; Homeyer, Cameron R.; Honomichl, Shawn; Bresch, James F.; Bansemer, Aaron

    2015-05-01

    Ice supersaturation (ISS) is the prerequisite condition for cirrus cloud formation. To examine multiscale dynamics' influences on ISS formation, we analyze in situ aircraft observations (~200 m scale) over North America in coordinates relative to dynamical boundaries in the upper troposphere and lower stratosphere. Two case studies demonstrate that ISS formation is likely influenced by mesoscale uplifting, small-scale waves, and turbulence. A collective analysis of 15 flights in April-June 2008 shows that the top layers of ISS and ice crystal distributions are strongly associated with thermal tropopause height. In addition, the average occurrence frequencies of ISS and ice crystals on the anticyclonic side of the jet stream are ~1.5-2 times of those on the cyclonic side. By defining five cirrus evolution phases based on the spatial relationships between ice-supersaturated and in-cloud regions, we find that their peak occurrence frequencies are located at decreasing altitudes with respect to the thermal tropopause: (phase 1) clear-sky ISS around the tropopause, (phase 2) nucleation phase around 2 km below the tropopause, (phases 3 and 4) early and later growth phases around 6 km below the tropopause, and (phase 5) sedimentation/sublimation around 2-6 km below the tropopause. Consistent with this result, chemical tracer correlation analysis shows that the majority (~80%) of the earlier cirrus phases (clear-sky ISS and nucleation) occurs inside the chemical tropopause transition layer, while the later phases happen mostly below that layer. These results shed light on the role of dynamical environment in facilitating cirrus cloud formation and evolution.

  19. cm-scale variations of crystal orientation fabric in cold Alpine ice core from Colle Gnifetti

    NASA Astrophysics Data System (ADS)

    Kerch, Johanna; Weikusat, Ilka; Eisen, Olaf; Wagenbach, Dietmar; Erhardt, Tobias

    2015-04-01

    Analysis of the microstructural parameters of ice has been an important part of ice core analyses so far mainly in polar cores in order to obtain information about physical processes (e.g. deformation, recrystallisation) on the micro- and macro-scale within an ice body. More recently the influence of impurities and climatic conditions during snow accumulation on these processes has come into focus. A deeper understanding of how palaeoclimate proxies interact with physical properties of the ice matrix bears relevance for palaeoclimatic interpretations, improved geophysical measurement techniques and the furthering of ice dynamical modeling. Variations in microstructural parameters e.g. crystal orientation fabric or grain size can be observed on a scale of hundreds and tens of metres but also on a centimetre scale. The underlying processes are not necessarily the same on all scales. Especially for the short-scale variations many questions remain unanswered. We present results from a study that aims to investigate following hypotheses: 1. Variations in grain size and fabric, i.e. strong changes of the orientation of ice crystals with respect to the vertical, occur on a centimetre scale and can be observed in all depths of an ice core. 2. Palaeoclimate proxies like dust and impurities have an impact on the microstructural processes and thus are inducing the observed short-scale variations in grain size and fabric. 3. The interaction of proxies with the ice matrix leads to depth intervals that show correlating behaviour as well as ranges with anticorrelation between microstructural parameters and palaeoclimatic proxies. The respective processes need to be identified. Fabric Analyser measurements were conducted on more than 80 samples (total of 8 m) from different depth ranges of a cold Alpine ice core (72 m length) drilled in 2013 at Colle Gnifetti, Switzerland/Italy. Results were obtained by automatic image processing, providing estimates for grain size distributions and crystal orientation fabric, and comparison with data from continuous flow analysis of chemical impurities. A microstructural characterisation of the analysed core is presented with emphasis on the observed variations in crystal orientation fabric. The relevance of these results for palaeoclimate reconstruction and geophysical applications in ice are discussed.

  20. NASA Glenn Propulsion Systems Lab: 2012 Inaugural Ice Crystal Cloud Calibration Procedure and Results

    NASA Technical Reports Server (NTRS)

    VanZante, Judith F.; Rosine, Bryan M.

    2014-01-01

    The inaugural calibration of the ice crystal and supercooled liquid water clouds generated in NASA Glenn's engine altitude test facility, the Propulsion Systems Lab (PSL) is reported herein. This calibration was in support of the inaugural engine ice crystal validation test. During the Fall of 2012 calibration effort, cloud uniformity was documented via an icing grid, laser sheet and cloud tomography. Water content was measured via multi-wire and robust probes, and particle sizes were measured with a Cloud Droplet Probe and Cloud Imaging Probe. The environmental conditions ranged from 5,000 to 35,000 ft, Mach 0.15 to 0.55, temperature from +50 to -35 F and relative humidities from less than 1 percent to 75 percent in the plenum.

  1. A Model to Assess the Risk of Ice Accretion Due to Ice Crystal Ingestion in a Turbofan Engine and its Effects on Performance

    NASA Technical Reports Server (NTRS)

    Jorgenson, Philip C. E.; Veres, Joseph P.; Wright, William B.; Struk, Peter M.

    2013-01-01

    The occurrence of ice accretion within commercial high bypass aircraft turbine engines has been reported under certain atmospheric conditions. Engine anomalies have taken place at high altitudes that were attributed to ice crystal ingestion, partially melting, and ice accretion on the compression system components. The result was one or more of the following anomalies: degraded engine performance, engine roll back, compressor surge and stall, and flameout of the combustor. The main focus of this research is the development of a computational tool that can estimate whether there is a risk of ice accretion by tracking key parameters through the compression system blade rows at all engine operating points within the flight trajectory. The tool has an engine system thermodynamic cycle code, coupled with a compressor flow analysis code, and an ice particle melt code that has the capability of determining the rate of sublimation, melting, and evaporation through the compressor blade rows. Assumptions are made to predict the complex physics involved in engine icing. Specifically, the code does not directly estimate ice accretion and does not have models for particle breakup or erosion. Two key parameters have been suggested as conditions that must be met at the same location for ice accretion to occur: the local wet-bulb temperature to be near freezing or below and the local melt ratio must be above 10%. These parameters were deduced from analyzing laboratory icing test data and are the criteria used to predict the possibility of ice accretion within an engine including the specific blade row where it could occur. Once the possibility of accretion is determined from these parameters, the degree of blockage due to ice accretion on the local stator vane can be estimated from an empirical model of ice growth rate and time spent at that operating point in the flight trajectory. The computational tool can be used to assess specific turbine engines to their susceptibility to ice accretion in an ice crystal environment.

  2. The effects of small ice crystals on cirrus infrared radiative properties

    SciTech Connect

    Takano, Y.; Liou, K.N. ); Minnis, P. )

    1992-08-15

    Using a model that combines single-scattering properties for spheroidal and hexagonal ice crystals, the thermal infrared radiative properties of cirrus clouds have been investigated. Infrared scattering and absorption properties for randomly oriented spheroids and hexagons are parameterized based on the anomalous diffraction theory and a geometric ray-tracing method, respectively. Using observed ice crystal size distributions, upwelling radiances at the top of cirrus cloudy atmospheres have been computed. Results show that the presence of small ice crystals can produce significant brightness temperature differences between two infrared wavelengths in the 10-[mu]m window. Theoretical results have been compared with observed brightness temperature differences between 8.35 and 11.16 [mu]m and between 11.16 and 12 [mu]m. The observed values were obtained from the High-Spectral Resolution Interferometer Sounder. It is shown that the use of the present nonspherical model for ice crystals in radiative transfer calculations leads to a significantly better interpretation of the observed data than does the use of the spherical model. 12 refs., 6 figs., 1 tab.

  3. The effects of small ice crystals on cirrus infrared radiative properties

    NASA Technical Reports Server (NTRS)

    Takano, Y.; Liou, K. N.; Minnis, P.

    1992-01-01

    Using a model that combines single-scattering properties for spheroidal and hexagonal ice crystals, the thermal infrared radiative properties of cirrus clouds have been investigated. Infrared scattering and absorption properties for randomly oriented spheroids and hexagons are parameterized based on the anomalous diffraction theory and a geometric ray-tracing method, respectively. Using observed ice crystal size distributions, upwelling radiances at the top of cirrus cloudy atmospheres have been computed. Results show that the presence of small ice crystals can produce significant brightness temperature differences between two infrared wavelengths in the 10-micron window. Theoretical results have been compared with observed brightness temperature differences between 8.35 and 11.16 microns and between 11.16 and 12 microns. The observed values were obtained from the high-spectral resolution interferometer sounder. It is shown that the use of the present nonspherical model for ice crystals in radiative transfer calculations leads to a significantly better interpretation of the observed data than does the use of the spherical model.

  4. OBSERVATIONS OF SNOW AND ICE CRYSTALS WITH LOW TEMPERATURE SCANNING ELECTRON MICROSCOPY (REVIEW)

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This review summarizes the advantages of LTSEM for observations of samples of snow and ice by illustrating the type of surface information that is obtainable, the resolution that can be attained and how the depth of field allows one to observe crystals with significant topography. In addition, we i...

  5. Lattice Boltzmann Simulation of Water Isotope Fractionation During Growth of Ice Crystals in Clouds

    NASA Astrophysics Data System (ADS)

    Lu, G.; Depaolo, D.; Kang, Q.; Zhang, D.

    2006-12-01

    The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically- symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over-saturation, determines crystal morphology, there are no existing quantitative models that directly relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be a direct relationship between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D Lattice-Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. The input parameters needed are the isotope-dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the sticking coefficient (or accommodation coefficient) for ice is uncertain. The ratio D/k is a length that determines the minimum scale of dendritic growth features and allows us to scale the numerical calculations to atmospheric conditions using a dimensionless Damkohler number: Da = kh/D, where h is the width of the 2D calculation domain. Varying the nondimensional Da in the model is equivalent to varying the scale (h) in the model. Our calculations confirm that the crystal/vapor isotopic fractionation approaches the equilibrium value, and the crystals are compact (circular in 2D) as the saturation factor approaches unity (S= 1.0). At higher oversaturation (e.g. S = 1.2), dendritic crystals of millimeter size develop on timescales appropriate to cloud processes, the isotopic fractionations are dominated by kinetic effects, and similar to those predicted by the spherical diffusion model. Dendritic crystals are constrained to be relatively large, with dimension much greater than D/k. The most difficult aspect of the modeling is to account for the large density difference between air and ice, which requires us to use a fictitious higher density for the vapor-oversaturated air and scale the crystal growth time accordingly. A different approach, using a larger scale simulation to derive boundary conditions for a nested smaller scale calculation is in progress. The results to date clarify the controls on dendritic crystal growth, the relationships between saturation state, growth rate, crystal morphology and isotopic fractionation, and provide limits on the value of the accommodation coefficient.

  6. Surface structure, crystallographic and ice-nucleating properties of cellulose

    NASA Astrophysics Data System (ADS)

    Hiranuma, Naruki; Möhler, Ottmar; Kiselev, Alexei; Saathoff, Harald; Weidler, Peter; Shutthanandan, Shuttha; Kulkarni, Gourihar; Jantsch, Evelyn; Koop, Thomas

    2015-04-01

    Increasing evidence of the high diversity and efficient freezing ability of biological ice-nucleating particles is driving a reevaluation of their impact upon climate. Despite their potential importance, little is known about their atmospheric abundance and ice nucleation efficiency, especially non-proteinaceous ones, in comparison to non-biological materials (e.g., mineral dust). Recently, microcrystalline cellulose (MCC; non-proteinaceous plant structural polymer) has been identified as a potential biological ice-nucleating particle. However, it is still uncertain if the ice-nucleating activity is specific to the MCC structure or generally relevant to all cellulose materials, such that the results of MCC can be representatively scaled up to the total cellulose content in the atmosphere to address its role in clouds and the climate system. Here we use the helium ion microscopy (HIM) imaging and the X-ray diffraction (XRD) technique to characterize the nanoscale surface structure and crystalline properties of the two different types of cellulose (MCC and fibrous cellulose extracted from natural wood pulp) as model proxies for atmospheric cellulose particles and to assess their potential accessibility for water molecules. To complement these structural characterizations, we also present the results of immersion freezing experiments using the cold stage-based droplet freezing BINARY (Bielefeld Ice Nucleation ARaY) technique. The HIM results suggest that both cellulose types have a complex porous morphology with capillary spaces between the nanoscale fibrils over the microfiber surface. These surface structures may make cellulose accessible to water. The XRD results suggest that the structural properties of both cellulose materials are in agreement (i.e., P21 space group; a=7.96 Å, b=8.35 Å, c=10.28 Å) and comparable to the crystallographic properties of general monoclinic cellulose (i.e., Cellulose Iβ). The results obtained from the BINARY measurements suggest that there is no significant difference of the immersion ice nucleation activity of MCC and fibrous cellulose in supercooled water. Overall, our findings support the view that MCC may be a good proxy for inferring water uptake, wettability and ice nucleating properties of various cellulose materials. In addition, we discuss the ice-nucleating efficiencies of both cellulose samples and plant debris from the AIDA (Aerosol Interaction and Dynamics in the Atmosphere) chamber experiments in comparison to the BINARY results. The influence of the acid processing of cellulose on its ice nucleation propensity may also be discussed to further demonstrate their atmospheric relevancy. Acknowledgement: We acknowledge support by German Research Society (DFG) and Ice Nuclei research UnIT (FOR 1525 INUIT).

  7. PHYSICS UPDATE: Observation of snow crystals using a chamber cooled by dry ice

    NASA Astrophysics Data System (ADS)

    Kagawa, S.; Kakehi, M.; Ito, F.; Kagawa, K.

    1999-01-01

    It is shown that microscopic observation of natural snow crystals is possible even at relatively high atmospheric temperature, around 0 °C. For this purpose, a partial cooling method was employed. That is, a snow crystal was placed in a chamber cooled by dry ice, which prevented frost production. By using this simple method, snow crystals can be observed in winter (where snow is available). This type of observational experiment is very successful in exciting students' interest in the beauty of natural forms.

  8. The effects of the nonsphericity and size distribution of ice crystals on the radiative properties of cirrus clouds

    NASA Technical Reports Server (NTRS)

    Kinne, Stefan; Liou, Kuo-Nan

    1989-01-01

    Hexagonal ice crystal and equivalent ice spheres have significantly different single-scattering properties. Although the extinction cross-section for spheres with equivalent surface areas is about the same as that for nonspherical ice crystals randomly oriented in space, equivalent spheres produce more forward scattering and have smaller single-scattering albedos. On the basis of broad-band radiative transfer calculations, in this note we will illustrate that the assumption that ice particles are spheres with equivalent surface areas leads to an underestimate to the solar albedo of cirrus clouds. Furthermore, we show that, for a given optical thickness, small ice particles reflect more solar flux than large ice particles. This implies that the ice crystal size distribution could be extremely important in the determination of the solar albedo of cirrus clouds due to external radiative forcing in climatic perturbation experiments. In the thermal infrared region, absorption by ice crystals predominates and the effects of the nonsphericity and size distribution of ice crystals on infrared radiative transfer appear to be secondary.

  9. Investigations of the differential affinity of antifreeze glycoprotein for single crystals of ice

    NASA Astrophysics Data System (ADS)

    Feeney, R. E.; Fink, W. H.; Hallet, J.; Harrison, K.; Osuga, D. T.; Vesenka, J. P.; Yeh, Y.

    1991-09-01

    Two distinctively different experiments showing the differential affinity of antifreeze glycoproteins (AFGP) for the facets of ice crystals are presented. In free growth studies of single seed crystals of ice into solutions of AFGP, clear distinction between crystals growing into the AFGP solution and similar crystals growing into pure water is found. Immediately upon going below the temperature of freezing depression, crystals grow along the c-axis as long spicules, not dendrites within the basal plane as is the case of growth into pure water. The rates of growth of the spicules are higher than growth velocity of dendrites in pure water. As the supercooling is increased, both morphology and rate become more like that of growth in pure water. We also conducted dynamic light scattering studies of the ice-solution interface. In these experiments, the local concentration of AFGP in the neighborhood of the interface was monitored by the effect of these molecules on microbubbles present near the growing interface; AFGP molecules showed preference towards the prismatic facets. All of these experimental observations support the idea of a dynamic adsorption/desorption equilibrium that is facet dependent.

  10. Crystal structure analysis of intermetallic compounds

    NASA Technical Reports Server (NTRS)

    Conner, R. A., Jr.; Downey, J. W.; Dwight, A. E.

    1968-01-01

    Study concerns crystal structures and lattice parameters for a number of new intermetallic compounds. Crystal structure data have been collected on equiatomic compounds, formed between an element of the Sc, Ti, V, or Cr group and an element of the Co or Ni group. The data, obtained by conventional methods, are presented in an easily usable tabular form.

  11. Evidence for platelet ice accretion in Arctic sea ice development

    NASA Astrophysics Data System (ADS)

    Jeffries, M. O.; Schwartz, K.; Morris, K.; Veazey, A. D.; Krouse, H. R.; Gushing, S.

    1995-06-01

    Moderate quantities of platelet ice are reported in ice cores obtained from floes in the central and western Beaufort Sea, Arctic Ocean. The crystal structure characteristics include a fabric of long, thin, ragged-edged crystals with randomly oriented c axes. The cellular substructure that is characteristic of congelation ice is not evident in individual platelet ice crystals, but they do occur together with congelation ice in layers ranging from 0.05 to 0.6 m thick. Platelet ice crystals are observed primarily in second-year and multiyear floes. The structural characteristics of Arctic platelet ice are similar to those of Antarctic platelet ice. The platelet ice layers have a minimum ? 18O value of -5.3, and in some cases the platelet ice layers have more negative ? 18O values than the ice layers above and below them. The salinity of platelet ice layers is not significantly different from other ice layers. A number of platelet ice growth mechanisms and sources are discussed. Processes associated with the Ellesmere ice shelves, nearshore processes such as anchor ice growth in shallow waters off the north coast of Alaska, and ice growth in freshwater impounded behind grounded ice dams might be locally important but are unlikely to contribute significant quantities of platelet ice to pack ice floes. Two processes probably account for the presence of platelet ice. The first is growth in underice melt ponds which form in inverted depressions at the base of floes when meltwater floes off the ice surface. The second is the operation of ice pumps in which ice that is melted off the deeper parts of floes and ridges is deposited as platelet ice at a higher level. In either case, initially loose accumulations of platelet crystals are entrained in the floes by the growth of congelation ice. The widespread occurrence of platelet ice in the central and western Beaufort Sea suggests that ice growth in both underice melt ponds and associated with the operation of ice pumps might be more common than was previously realized.

  12. A Study of the Optical Properties of Ice Crystals with Black Carbon Inclusions

    SciTech Connect

    Arienti, Marco; Yang, Xiaoyuan; Kopacz, Adrian M; Geier, Manfred

    2015-09-01

    The report focu ses on the modification of the optical properties of ice crystals due to atmospheric black car bon (BC) contamination : the objective is to advance the predictive capabilities of climate models through an improved understanding of the radiative properties of compound particles . The shape of the ice crystal (as commonly found in cirrus clouds and cont rails) , the volume fraction of the BC inclusion , and its location inside the crystal are the three factors examined in this study. In the multiscale description of this problem, where a small absorbing inclusion modifies the optical properties of a much la rger non - absorbing particle, state - of - the - art discretization techniques are combined to provide the best compromise of flexibility and accuracy over a broad range of sizes .

  13. Seismicity within a propagating ice shelf rift: the relationship between icequake locations and ice shelf structure

    USGS Publications Warehouse

    Heeszel, David S.; Fricker, Helen A.; Bassis, Jeremy N.; O'Neel, Shad; Walter, Fabian

    2014-01-01

    Iceberg calving is a dominant mass loss mechanism for Antarctic ice shelves, second only to basal melting. An important known process involved in calving is the initiation and propagation of through-penetrating fractures called rifts; however, the mechanisms controlling rift propagation remain poorly understood. To investigate the mechanics of ice-shelf rifting, we analyzed seismicity associated with a propagating rift tip on the Amery Ice Shelf, using data collected during the Austral summers of 2004-2007. We investigated seismicity associated with fracture propagation using a suite of passive seismological techniques including icequake locations, back projection, and moment tensor inversion. We confirm previous results that show that seismicity is characterized by periods of relative quiescence punctuated by swarms of intense seismicity of one to three hours. However, even during periods of quiescence, we find significant seismic deformation around the rift tip. Moment tensors, calculated for a subset of the largest icequakes (MW?>?-2.0) located near the rift tip, show steeply dipping fault planes, horizontal or shallowly plunging stress orientations, and often have a significant volumetric component. They also reveal that much of the observed seismicity is limited to the upper 50?m of the ice shelf. This suggests a complex system of deformation that involves the propagating rift, the region behind the rift tip, and a system of rift-transverse crevasses. Small-scale variations in the mechanical structure of the ice shelf, especially rift-transverse crevasses and accreted marine ice, play an important role in modulating the rate and location of seismicity associated with propagating ice shelf rifts.

  14. Crystal structure of benzimidazolium salicylate.

    PubMed

    Amudha, M; Kumar, P Praveen; Chakkaravarthi, G

    2015-10-01

    In the anion of the title mol-ecular salt, C7H7N2 (+)C7H5O3 (-) (systematic name: 1H-benzimidazol-3-ium 2-hy-droxy-ben-zo-ate), there is an intra-molecular O-H?O hydrogen bond that generates an S(6) ring motif. The CO2 group makes a dihedral angle of 5.33?(15) with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88?(5). Two cations bridge two anions via two pairs of N-H?O hydrogen bonds, enclosing an R (4) 4(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linked via C-H?O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by C-H?? and ?-? inter-actions [inter-centroid distances = 3.4156?(7) and 3.8196?(8)?], forming a three-dimensional structure. PMID:26594483

  15. Effect of calcium chloride addition on ice cream structure and quality.

    PubMed

    Costa, F F; Resende, J V; Abreu, L R; Goff, H D

    2008-06-01

    The influence of calcium fortification by the addition of calcium chloride on quality parameters of ice cream based on physical properties was investigated, as was the effect of kappa-carrageenan at modifying the effects of this calcium fortification. Four ice cream mixes of conventional composition, with added kappa-carrageenan (0 or 0.025%) and added calcium chloride (0 or 4.4 g L(-1) = 40 mM of added Ca(2+)), were prepared. Modulated temperature-differential scanning calorimetry was used to investigate the effect of calcium chloride on the nucleation temperature, enthalpy of melting, and freezing point depression. The protein composition of 15.4% (wt/wt) reconstituted skim milk powder solutions with or without 4.4 g L(-1) added CaCl(2) and in the supernatant after ultracentrifugation was determined. Fat particle size distributions in ice cream were characterized by light scattering. Ice crystal sizes before and after temperature cycling were determined by cold-stage light microscopy. The results demonstrated that the addition of calcium chloride led to a substantial increase in ice crystal sizes and in fat partial coalescence, which were exacerbated by the addition of kappa-carrageenan. These results can be explained by the interaction between Ca(2+) ions and casein micelles, rather than any effects on freezing point depression. The calcium ions led to a more compact micelle, less serum beta-casein, and high fat destabilization, all of which would be expected to reduce macromolecular structure and volume occupancy in the unfrozen phase, which led to increased rates of ice recrystallization. PMID:18487638

  16. Elementary steps at the surface of ice crystals visualized by advanced optical microscopy

    PubMed Central

    Sazaki, Gen; Zepeda, Salvador; Nakatsubo, Shunichi; Yokoyama, Etsuro; Furukawa, Yoshinori

    2010-01-01

    Due to the abundance of ice on earth, the phase transition of ice plays crucially important roles in various phenomena in nature. Hence, the molecular-level understanding of ice crystal surfaces holds the key to unlocking the secrets of a number of fields. In this study we demonstrate, by laser confocal microscopy combined with differential interference contrast microscopy, that elementary steps (the growing ends of ubiquitous molecular layers with the minimum height) of ice crystals and their dynamic behavior can be visualized directly at air-ice interfaces. We observed the appearance and lateral growth of two-dimensional islands on ice crystal surfaces. When the steps of neighboring two-dimensional islands coalesced, the contrast of the steps always disappeared completely. We were able to discount the occurrence of steps too small to detect directly because we never observed the associated phenomena that would indicate their presence. In addition, classical two-dimensional nucleation theory does not support the appearance of multilayered two-dimensional islands. Hence, we concluded that two-dimensional islands with elementary height (0.37 and 0.39nm on basal and prism faces, respectively) were visualized by our optical microscopy. On basal and prism faces, we also observed the spiral growth steps generated by screw dislocations. The distance between adjacent spiral steps on a prism face was about 1/20 of that on a basal face. Hence, the step ledge energy of a prism face was 1/20 of that on a basal face, in accord with the known lower-temperature roughening transition of the prism face. PMID:20974928

  17. The origins of ice crystals measured in mixed-phase clouds at the high-alpine site Jungfraujoch

    NASA Astrophysics Data System (ADS)

    Lloyd, G.; Choularton, T. W.; Bower, K. N.; Gallagher, M. W.; Connolly, P. J.; Flynn, M.; Farrington, R.; Crosier, J.; Schlenczek, O.; Fugal, J.; Henneberger, J.

    2015-11-01

    During the winter of 2013 and 2014 measurements of cloud microphysical properties over a 5-week period at the high-alpine site Jungfraujoch, Switzerland, were carried out as part of the Cloud Aerosol Characterisation Experiments (CLACE) and the Ice Nucleation Process Investigation and Quantification project (INUPIAQ). Measurements of aerosol properties at a second, lower site, Schilthorn, Switzerland, were used as input for a primary ice nucleation scheme to predict ice nuclei concentrations at Jungfraujoch. Frequent, rapid transitions in the ice and liquid properties of the clouds at Jungfraujoch were identified that led to large fluctuations in ice mass fractions over temporal scales of seconds to hours. During the measurement period we observed high concentrations of ice particles that exceeded 1000 L-1 at temperatures around -15 C, verified by multiple instruments. These concentrations could not be explained using the usual primary ice nucleation schemes, which predicted ice nucleus concentrations several orders of magnitude smaller than the peak ice crystal number concentrations. Secondary ice production through the Hallett-Mossop process as a possible explanation was ruled out, as the cloud was rarely within the active temperature range for this process. It is shown that other mechanisms of secondary ice particle production cannot explain the highest ice particle concentrations. We describe four possible mechanisms that could lead to high cloud ice concentrations generated from the snow-covered surfaces surrounding the measurement site. Of these we show that hoar frost crystals generated at the cloud enveloped snow surface could be the most important source of cloud ice concentrations. Blowing snow was also observed to make significant contributions at higher wind speeds when ice crystal concentrations were < 100 L-1.

  18. Formation of Large (Approximately 100 micrometers) Ice Crystals Near the Tropical Tropopause

    NASA Technical Reports Server (NTRS)

    Jensen, E. J.; Pfister, L.; Bui, T. V.; Lawson, P.; Baker, B.; Mo, Q.; Baumgardner, D.; Weinstock, E. M.; Smith, J. B.; Moyer, E. J.; Hanisco, T. F.; Sayres, D. S.; SaintClair, J. M.; Alexander, M.; Toon, O. B.; Smith, J. A.

    2008-01-01

    Recent high-altitude aircraft measurements with in situ imaging instruments indicated the presence of relatively large (approx.100 microns length), thin (aspect ratios of approx.6:1 or larger) hexagonal plate ice crystals near the tropical tropopause in very low concentrations (<0.01/L). These crystals were not produced by deep convection or aggregation. We use simple growth-sedimentation calculations as well as detailed cloud simulations to evaluate the conditions required to grow the large crystals. Uncertainties in crystal aspect ratio leave a range of possibilities, which could be constrained by knowledge of the water vapor concentration in the air where the crystal growth occurred. Unfortunately, water vapor measurements made in the cloud formation region near the tropopause with different instruments ranged from <2 ppmv to approx.3.5 ppmv. The higher water vapor concentrations correspond to very large ice supersaturations (relative humidities with respect to ice of about 200%). If the aspect ratios of the hexagonal plate crystals are as small as the image analysis suggests (6:1, see companion paper (Lawson et al., 2008)) then growth of the large crystals before they sediment out of the supersaturated layer would only be possible if the water vapor concentration were on the high end of the range indicated by the different measurements (>3 ppmv). On the other hand, if the crystal aspect ratios are quite a bit larger (approx.10:1), then H2O concentrations toward the low end of the measurement range (approx.2-2.5 ppmv) would suffice to grow the large crystals. Gravity-wave driven temperature and vertical wind perturbations only slightly modify the H2O concentrations needed to grow the crystals. We find that it would not be possible to grow the large crystals with water concentrations less than 2 ppmv, even with assumptions of a very high aspect ratio of 15 and steady upward motion of 2 cm/s to loft the crystals in the tropopause region. These calculations would seem to imply that the measurements indicating water vapor concentrations less than 2ppmv are implausible, but we cannot rule out the possibility that higher humidity prevailed upstream of the aircraft measurements and the air was dehydrated by the cloud formation. Simulations of the cloud formation with a detailed model indicate that homogeneous freezing should generate ice concentrations larger than the observed concentrations (20/L), and even concentrations as low as 20/L should have depleted the vapor in excess of saturation and prevented growth of large crystals. It seems likely that the large crystals resulted from ice nucleation on effective heterogeneous nuclei at low ice supersaturations. Improvements in our understanding of detailed cloud microphysical processes require resolution of the water vapor measurement discrepancies in these very cold, dry regions of the atmosphere.

  19. Inferred Differences in Ice Crystal Nucleation Rates between Continental and Maritime Deep Convective Clouds

    NASA Astrophysics Data System (ADS)

    Mitchell, D. L.; Avery, M. A.; Garnier, A.

    2014-12-01

    We present in situ and remotely sensed evidence for the following working hypothesis: Heterogeneous nucleation dominates during deep continental convection until ice nuclei in the updraft cannot prevent supersaturation from increasing. As it increases, homogeneous nucleation eventually occurs near cloud top (T < -60°C), with much faster ice crystal production rates. This is not the case in maritime anvil cirrus, where updrafts associated with deep convection are slower, promoting heterogeneous nucleation. We hypothesize that differences in updraft velocities and their effect on supersaturation might create a difference in the N/IWC ratios. Based on In situ measurements of the ice particle size distribution (PSD) from two aircraft field campaigns (SPARTICUS & TC4) and MODIS satellite retrievals of the temperature dependence of the 12/11 μm effective absorption optical depth ratio or βeff, ice crystal nucleation rates appear to be anomalously high near the tops of continental thunderstorms relative to maritime thunderstorms. The ice crystal nucleation rate, having units of g-1 s-1, is more related to the ratio of ice particle number concentration/ice water content (or N/IWC, with units of g-1) than to N. A surprisingly tight relationship was discovered between βeff and N/IWC, allowing N/IWC to be estimated from satellite retrievals of βeff. These retrievals verified that deep convection during TC4 over water did not produce the much higher N/IWC ratios observed during SPARTICUS in continental anvil cirrus. The imaging infrared radiometer (IIR) aboard CALIPSO has channels at 8, 10 and 12 μm and provides a data record of βeff dating back to 2006, as well as vertical profiles of IWC, extinction, depolarization and 1064/532 nm backscatter ratio from the CALIOP lidar. We will compare the MODIS-derived βeff and N/IWC relationship with that derived using the IIR data. We will also investigate the relationship between N/IWC, βeff and the vertically-resolved lidar parameters to determine if nucleation type produces a measurable change in the vertical distribution of cloud ice. It appears promising that these relationships may be used to determine when and where homo- and heterogeneous nucleation dominate ice production in cirrus clouds as a function of season and latitude.

  20. Fluctuations and local ice structure in model supercooled water.

    PubMed

    Overduin, S D; Patey, G N

    2015-09-01

    Large-scale simulations (up to 32,000 molecules) are used to analyze local structures and fluctuations for the TIP4P/2005 and TIP5P water models, under deeply supercooled conditions, near previously proposed liquid-liquid critical points. Bulk freezing does not occur in our simulations, but correlations between molecules with local ice-like structure (ice-like molecules) are strong and long ranged (?4 nm), exceeding the shortest dimension of smaller simulation cells at the lowest temperatures considered. Correlations between ice-like molecules decay slowly at low temperature, on the order of a hundred nanoseconds. Local ice-like structure is strongly correlated with highly tetrahedral liquid structure at all times, both structures contribute to density fluctuations, and to the associated anomalous scattering. For the TIP4P/2005 and TIP5P models, we show that the apparent spontaneous liquid-liquid phase separations, recently reported [T. Yagasaki, M. Matsumoto, and H. Tanaka, Phys. Rev. E 89, 020301 (2014)] for small rectangular simulation cells below the proposed critical points, exhibit strong system size dependence and do not occur at all in the largest systems we consider. Furthermore, in the smaller rectangular systems where layers of different densities do occur, we find that the appearance of a region of low density is always accompanied simultaneously by an excess of local ice density, with no separation in time. Our results suggest that the density differences observed in direct simulations for the two models considered here are likely due to long-range correlations between ice-like molecules and do not provide strong evidence of liquid-liquid phase separation. PMID:26342374

  1. Characterizing Single-Scattering Properties of Non-Spherical Ice-Crystal Ensembles

    NASA Astrophysics Data System (ADS)

    Kuo, K.; Han, Q.; Smith, E. A.

    2009-12-01

    Retrievals of atmospheric particulate constituents using remote sensing means rely on the characterization of the single-scattering properties of these particulate matters. We are able to characterize with fairly high accuracies the single-scattering properties involving spherical particles, due to the symmetry of their shape. For example, it has been demonstrated that liquid water content, effective radius, and effective variance adequately characterize the single-scattering of an ensemble of spherical cloud water droplets in the visible and near-infrared wavelengths (Hansen and Travis 1974). Such is not the case, however, for non-spherical particles such as ice crystals. In order to characterize the scattering of these non-spherical particles we need to first find realistic representations of their shapes. The Snowfake (Gravner and Griffeath 2009) model is a numerical growth model for ice crystals based on diffusion and vapor deposition. It is capable of growing realistic ice crystals with the exquisite fine features observed in nature. Before the advent of Snowfake, single-scattering calculations are performed on shapes described by simplified mathematical formulae, which bear only a rough resemblance to the real ones. With crystals grown by the Snowfake model we can be more confident with the representativeness of the single-scattering properties obtained. Single-scattering properties of these particles are calculated using the open-source DDSCAT software developed by Draine and Flatau (2008), based on discrete dipole approximation (DDA). In this presentation we report early results obtained from the effort of characterizing the single-scattering of ensembles of pristine ice crystals using geometric parameters derived from the particle size distribution (PSD) of the ensembles at the wavelengths of current spaceborne radars.

  2. Defect structures in metallic photonic crystals

    SciTech Connect

    Oezbay, E.; Temelkuran, B.; Sigalas, M.; Tuttle, G.; Soukoulis, C.M.; Ho, K.M.

    1996-12-01

    We have investigated metallic photonic crystals built around a layer-by-layer geometry. Two different crystal structures (face-centered-tetragonal and tetragonal) were built and their properties were compared. We obtained rejection rates of 7{endash}8 dB per layer from both metallic crystals. Defect modes created by removing rods resulted in high peak transmission (80{percent}), and high quality factors (1740). Our measurements were in good agreement with theoretical simulations. {copyright} {ital 1996 American Institute of Physics.}

  3. Arctic ice island and sea ice movements and mechanical properties: Fourteenth quarterly report, 1 January 1987-31 March 1987. [Sea spray ice bonds to offshore structures

    SciTech Connect

    Sackinger, W.M.; Jeffries, M.O.

    1987-01-01

    The research program on ice islands has four elements: (1) through the use of satellite imagery, historical records, and aerial photography, to establish a time history of all of the Arctic ice shelves, and thus an historically verified source for ice islands; (2) to establish postioning buoys on the known existing ice islands to track their trajectories daily and to telemeter daily barometer pressure and temperature, via System Argos; (3) to calculate geostrophic winds from global pressure maps and barometric pressure data from the buoys, and relate the observed ice island trajectories to the winds and the internal pack ice forces; (4) to construct a model for ice island motion which will enable a determination of the probability of interaction between ice islands and offshore structures, and which will be verified by comparsion with the experimentally observed trajectory data. Research activities covered in the fourteenth quarter include; ice islands (buoy operation and ice island motion); and mechanical properties of sea spray ice bonds to structures. 2 figs., 6 tabs.

  4. Theoretical Predictions of Ice Crystal Shape in CO2 Clouds on Mars

    NASA Astrophysics Data System (ADS)

    Wood, S. E.

    2001-11-01

    Carbon dioxide ice crystals that form in the Martian atmosphere play very important roles in the climate of Mars, primarily through their radiative effects. Unlike water ice, small CO2 ice particles are very efficient scatterers of thermal infrared radiation [1]. On present-day Mars, CO2 clouds over the polar regions during winter have been observed to reduce the net cooling rate to space [2]. Theoretical studies have shown that the presence of CO2 clouds in a dense (>=1 bar) CO2 atmosphere on early Mars (?3.8 Ga) could have had a net warming effect and maintained surface temperatures above the melting point of water [3,4], for certain assumptions regarding the optical depth and areal coverage of the clouds, and the size and shape of the cloud particles. Modeling studies to date have assumed spherical particles in their radiative transfer calculations. While this may be true for evaporating crystals, for growing crystals it is certainly not. In order to predict the actual shapes of crystals in CO2 ice clouds, I have derived values for the surface energy, edge energy, and surface diffusion distance for molecules on each of the singular crystallographic faces [5]. Using these values in a model of crystal growth, I find that CO2 ice crystals in the Martian atmosphere will be cubes, octahedrons, or a combination thereof (truncated octahedrons), depending largely on which crystal growth mechanism is active. The values of these physical parameters are also important for calculating the nucleation and growth rates of cloud particles in a microphysical model. I will present calculations of the scattering phase function for these shapes, at visible and infrared wavelengths, for comparison with the Mie phase functions for spheres. [1] Hansen, G. B., JGR v.102, p.21569, 1997 [2] Kieffer, H. H. and T. Z. Martin, JGR v. 82, p.4249, 1977 [3] Forget, F. and R. T. Pierrehumbert, Science v.278, p.1273, 1997 [4] Mischna, M. A. et al., Icarus v.145, p.546, 2000 [5] Wood, S. E., Ph.D. Thesis, UCLA, 1999

  5. Solvation structure of ice-binding antifreeze proteins

    NASA Astrophysics Data System (ADS)

    Hansen-Goos, Hendrik; Wettlaufer, John

    2009-03-01

    Antifreeze proteins (AFPs) can be found in organisms which survive at subzero temperatures. They were first discovered in polar fishes since the 1950's [1] and have been isolated meanwhile also from insects, plants, and bacteria. While AFPs shift the freezing point of water below the bulk melting point and hence can prevent recrystallization; the effect is non-colligative and there is a pronounced hysteresis between freezing and melting. For many AFPs it is generally accepted that they function through an irreversible binding to the ice-water interface which leads to a piecewise convex growth front with a lower nonequilibrium freezing point due to the Kelvin effect. Recent molecular dynamics simulations of the AFP from Choristoneura fumiferana reveal that the solvation structures of water at ice-binding and non-ice-binding faces of the protein are crucial for understanding how the AFP binds to the ice surface and how it is protected from being overgrown [2]. We use density functional theory of classical fluids in order to assess the microscopic solvent structure in the vicinity of protein faces with different surface properties. With our method, binding energies of different protein faces to the water-ice-interface can be computed efficiently in a simplified model. [1] Y. Yeh and R.E. Feeney, Chem. Rev. 96, 601 (1996). [2] D.R. Nutt and J.C. Smith, J. Am. Chem. Soc. 130, 13066 (2008).

  6. Crystal structures of MBP fusion proteins.

    PubMed

    Waugh, David S

    2016-03-01

    Although chaperone-assisted protein crystallization remains a comparatively rare undertaking, the number of crystal structures of polypeptides fused to maltose-binding protein (MBP) that have been deposited in the Protein Data Bank (PDB) has grown dramatically during the past decade. Altogether, 102 fusion protein structures were detected by Basic Local Alignment Search Tool (BLAST) analysis. Collectively, these structures comprise a range of sizes, space groups, and resolutions that are typical of the PDB as a whole. While most of these MBP fusion proteins were equipped with short inter-domain linkers to increase their rigidity, fusion proteins with long linkers have also been crystallized. In some cases, surface entropy reduction mutations in MBP appear to have facilitated the formation of crystals. A comparison of the structures of fused and unfused proteins, where both are available, reveals that MBP-mediated structural distortions are very rare. PMID:26682969

  7. Crystal structure and morphology of syndiotactic polypropylene single crystals

    SciTech Connect

    Bu, J.Z.; Cheng, S.Z.D.

    1996-12-31

    In the past several years there have been an increased interest in the crystal structure and morphology of s-PP due to the new development of homogeneous metallocene catalysts which can produce s-PP having a high stereoregularity. In this research, the crystal structure and morphology of s-PP single crystals grown from the melt were investigated. A series of ten fractions of s-PP was studied with different molecular weights ranging from 10,300 to 234,000 (g/mol). These fractions all possess narrow molecular weight distributions (around 1.1-1.2) and high syndiotacticities ([r]{approximately}95%). The main techniques employed including transmission electron microscopy (TEM), atomic force microscopy (AFM), wide-angle X-ray diffraction (WAXD), and small-angle X-ray scattering (SAXS).

  8. General equations for the motions of ice crystals and water drops in gravitational and electric fields

    NASA Technical Reports Server (NTRS)

    Nisbet, John S.

    1989-01-01

    General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

  9. General equations for the motions of ice crystals and water drops in gravitational and electric fields

    NASA Technical Reports Server (NTRS)

    Nisbet, John S.

    1988-01-01

    General equations for the Reynolds number of a variety of types of ice crystals and water drops are given in terms of the Davies, Bond, and Knudsen numbers. The equations are in terms of the basic physical parameters of the system and are valid for calculating velocities in gravitational and electric fields over a very wide range of sizes and atmospheric conditions. The equations are asymptotically matched at the bottom and top of the size spectrum, useful when checking large computer codes. A numerical system for specifying the dimensional properties of ice crystals is introduced. Within the limits imposed by such variables as particle density, which have large deviations, the accuracy of velocities appears to be within 10 percent over the entire range of sizes of interest.

  10. The application of time-dependent ice crystal trajectory and growth model for the evaluation of cloud seeding experiment using liquid carbon dioxide

    NASA Astrophysics Data System (ADS)

    Nishiyama, K.; Wakimizu, K.; Maki, T.; Suzuki, Y.; Morita, O.; Tomine, K.

    2012-12-01

    This study evaluated the results of cloud seeding experiment conducted on 17th January, 2008, in western Kyushu, Japan, using simplified time-dependent ice crystal growth and trajectory cloud model, which is characterized by 1) depositional diffusion growth process only of an ice crystal, and 2) the pursuit of the growing ice crystal based on wind field and ice crystal terminal velocity. For the estimation of the ice crystal growth and trajectory, the model specifies ice supersaturation ratio that expresses the degree of competition growth among ice crystals formed by LC seeding for existing water vapor, assuming no effect of natural ice crystals. The model is based on ice crystal growth along a- and c-axes depending on air temperature and ice supersatuation, according to Chen and Lamb (1994). The cloud seeding experiment was conducted by applying homogeneous nucleation (rapid cooling of air mass and subsequent formation of many ice crystals~1013/g LC) of Liquid Carbon (LC) dioxide seeding under typical winter-type snowfall-inducing weather situation characterized by the outbreak of cold air masses from the Siberia. The result of aircraft horizontally-penetrating seeding of LC into lower layer (-2 degree C) of supercooled convective cloud with 1km thickness above the freezing level led to the formation of an artificially-induced 'isolated' radar echo (the left figures of Fig. 1) in dominant 'no-natural radar echo region'. In other words, natural biases were eliminated by the formation of the isolated radar echo. This fact provides the shortcut for evaluating the result of cloud seeding experiment. In the next, the observed cloud seeding results were evaluated by estimating the trajectory of artificially-induced growing ice crystal. The results show that the trajectory of artificial ice crystals depends on the degree of completion growth mode. Free growth brings rapid growth of an ice crystal and, therefore, the ice crystal falls into lower layers for a short time. On the other hand, as the degree of competition is higher, ice crystal growth and falling are slower. The result (the right figure of Fig. 1) showed that the movement of observed isolated radar echo formed after LC cloud seeding is closely related to the trajectories of artificially-induced ice crystals depending on the specification of ice supersaturation. Therefore, it was found that time-dependent ice crystal growth and trajectory model is a useful tool for the evaluation of cloud seeding results regardless of its simplification and many uncertain factors. Fig.1 The left figure shows the movement of isolated radar echo formed by LC seeding. The right figure shows the comparison between observed radar echo location and estimated ice crystal location.

  11. Mimicry of ice structure by surface hydroxyls and water of a beta-helix antifreeze protein.

    PubMed

    Liou, Y C; Tocilj, A; Davies, P L; Jia, Z

    2000-07-20

    Insect antifreeze proteins (AFP) are much more effective than fish AFPs at depressing solution freezing points by ice-growth inhibition. AFP from the beetle Tenebrio molitor is a small protein (8.4 kDa) composed of tandem 12-residue repeats (TCTxSxxCxxAx). Here we report its 1.4-A resolution crystal structure, showing that this repetitive sequence translates into an exceptionally regular beta-helix. Not only are the 12-amino-acid loops almost identical in the backbone, but also the conserved side chains are positioned in essentially identical orientations, making this AFP perhaps the most regular protein structure yet observed. The protein has almost no hydrophobic core but is stabilized by numerous disulphide and hydrogen bonds. On the conserved side of the protein, threonine-cysteine-threonine motifs are arrayed to form a flat beta-sheet, the putative ice-binding surface. The threonine side chains have exactly the same rotameric conformation and the spacing between OH groups is a near-perfect match to the ice lattice. Together with tightly bound co-planar external water, three ranks of oxygen atoms form a two-dimensional array, mimicking an ice section. PMID:10917536

  12. A model predicting the evolution of ice particle size spectra and radiative properties of cirrus clouds. Part 2: Dependence of absorption and extinction on ice crystal morphology

    NASA Technical Reports Server (NTRS)

    Mitchell, David L.; Arnott, W. Patrick

    1994-01-01

    This study builds upon the microphysical modeling described in Part 1 by deriving formulations for the extinction and absorption coefficients in terms of the size distribution parameters predicted from the micro-physical model. The optical depth and single scatter albedo of a cirrus cloud can then be determined, which, along with the asymmetry parameter, are the input parameters needed by cloud radiation models. Through the use of anomalous diffraction theory, analytical expressions were developed describing the absorption and extinction coefficients and the single scatter albedo as functions of size distribution parameters, ice crystal shapes (or habits), wavelength, and refractive index. The extinction coefficient was formulated in terms of the projected area of the size distribution, while the absorption coefficient was formulated in terms of both the projected area and mass of the size distribution. These properties were formulated as explicit functions of ice crystal geometry and were not based on an 'effective radius.' Based on simulations of the second cirrus case study described in Part 1, absorption coefficients predicted in the near infrared for hexagonal columns and rosettes were up to 47% and 71% lower, respectively, than absorption coefficients predicted by using equivalent area spheres. This resulted in single scatter albedos in the near-infrared that were considerably greater than those predicted by the equivalent area sphere method. Reflectances in this region should therefore be underestimated using the equivalent area sphere approach. Cloud optical depth was found to depend on ice crystal habit. When the simulated cirrus cloud contained only bullet rosettes, the optical depth was 142% greater than when the cloud contained only hexagonal columns. This increase produced a doubling in cloud albedo. In the near-infrared (IR), the single scatter albedo also exhibited a significant dependence on ice crystal habit. More research is needed on the geometrical properties of ice crystals before the influence of ice crystal shape on cirrus radiative properties can be adequately understood. This study provides a way of coupling the radiative properties of absorption, extinction, and single scatter albedo to the microphysical properties of cirrus clouds. The dependence of extinction and absorption on ice crystal shape was not just due to geometrical differences between crystal types, but was also due to the effect these differences had on the evolution of ice particle size spectra. The ice particle growth model in Part 1 and the radiative properties treated here are based on analytical formulations, and thus represent a computationally efficient means of modeling the microphysical and radiative properties of cirrus clouds.

  13. Preparation for Scaling Studies of Ice-Crystal Icing at the NRC Research Altitude Test Facility

    NASA Technical Reports Server (NTRS)

    Struk, Peter M.; Bencic, Timothy J.; Tsao, Jen-Ching; Fuleki, Dan; Knezevici, Daniel C.

    2013-01-01

    This paper describes experiments conducted at the National Research Council (NRC) of Canadas Research Altitiude Test Facility between March 26 and April 11, 2012. The tests, conducted collaboratively between NASA and NRC, focus on three key aspects in preparation for later scaling work to be conducted with a NACA 0012 airfoil model in the NRC Cascade rig: (1) cloud characterization, (2) scaling model development, and (3) ice-shape profile measurements. Regarding cloud characterization, the experiments focus on particle spectra measurements using two shadowgraphy methods, cloud uniformity via particle scattering from a laser sheet, and characterization of the SEA Multi-Element probe. Overviews of each aspect as well as detailed information on the diagnostic method are presented. Select results from the measurements and interpretation are presented which will help guide future work.

  14. Backscatter ratios for arbitrary oriented hexagonal ice crystals of cirrus clouds.

    PubMed

    Borovoi, Anatoli; Konoshonkin, Alexander; Kustova, Natalia

    2014-10-01

    Three dimensionless ratios widely used for interpretation of lidar signals, i.e., the color ratio, lidar ratio, and depolarization ratio, have been calculated for hexagonal ice crystals of cirrus clouds as functions of their spatial orientation. The physical-optics algorithm developed earlier by the authors is applied. It is shown that these ratios are minimal at the horizontal crystal orientation. Then these quantities increase with the effective tilt angle approaching the asymptotic values of the random particle orientation. The values obtained are consistent with the available experimental data. PMID:25360985

  15. On the observation of unusual high concentration of small chain-like aggregate ice crystals and large ice water contents near the top of a deep convective cloud during the CIRCLE-2 experiment

    NASA Astrophysics Data System (ADS)

    Gayet, J.-F.; Mioche, G.; Bugliaro, L.; Protat, A.; Minikin, A.; Wirth, M.; Drnbrack, A.; Shcherbakov, V.; Mayer, B.; Garnier, A.; Gourbeyre, C.

    2011-08-01

    During the CIRCLE-2 experiment carried out over Western Europe in May 2007, combined in situ and remote sensing observations allowed to describe microphysical and optical properties near-top of an overshooting convective cloud (11 080 m/-58 C). The airborne measurements were performed with the DLR Falcon aircraft specially equipped with a unique set of instruments for the extensive in situ cloud measurements of microphysical and optical properties (Polar Nephelometer, FSSP-300, Cloud Particle Imager and PMS 2D-C) and nadir looking remote sensing observations (DLR WALES Lidar). Quasi-simultaneous space observations from MSG/SEVIRI, CALIPSO/CALIOP-WFC-IIR and CloudSat/CPR combined with airborne RASTA radar reflectivity from the French Falcon aircraft flying above the DLR Falcon depict very well convective cells which overshoot by up to 600 m the tropopause level. Unusual high values of the concentration of small ice particles, extinction, ice water content (up to 70 cm-3, 30 km-1 and 0.5 g m-3, respectively) are experienced. This very dense cloud causes a strong attenuation of the WALES and CALIOP lidar returns. The mean effective diameter is of 43 ?m and the maximum particle size is about 300 ?m. The SEVIRI retrieved parameters confirm the occurrence of small ice crystals at the top of the convective cell. Smooth and featureless phase functions with asymmetry factors of 0.776 indicate fairly uniform optical properties. Due to small ice crystals the power-law relationship between ice water content (IWC) and radar reflectivity appears to be very different from those usually found in cirrus and anvil clouds. For a given equivalent reflectivity factor, IWCs are significantly larger for the overshooting cell than for the cirrus. Assuming the same prevalent microphysical properties over the depth of the overshooting cell, RASTA reflectivity profiles scaled into ice water content show that retrieved IWC up to 1 g m-3 may be observed near the cloud top. Extrapolating the relationship for stronger convective clouds with similar ice particles, IWC up to 5 g m-3 could be experienced with reflectivity factors no larger than about 20 dBZ. This means that for similar situations, indication of rather weak radar echo does not necessarily warn the occurrence of high ice water content carried by small ice crystals. All along the cloud penetration the shape of the ice crystals is dominated by chain-like aggregates of frozen droplets. Our results confirm previous observations that the chains of ice crystals are found in a continental deep convective systems which are known generally to generate intense electric fields causing efficient ice particle aggregation processes. Vigorous updrafts could lift supercooled droplets which are frozen extremely rapidly by homogeneous nucleation near the -37 C level, producing therefore high concentrations of very small ice particles at upper altitudes. They are sufficient to deplete the water vapour and suppress further nucleation as confirmed by humidity measurements. These observations address scientific issues related to the microphysical properties and structure of deep convective clouds and confirm that particles smaller than 50 ?m may control the radiative properties in convective-related clouds. These unusual observations may also provide some possible insights regarding engineering issues related to the failure of jet engines commonly used on commercial aircraft during flights through areas of high ice water content.

  16. On the observation of unusual high concentration of small chain-like aggregate ice crystals and large ice water contents near the top of a deep convective cloud during the CIRCLE-2 experiment

    NASA Astrophysics Data System (ADS)

    Gayet, J.-F.; Mioche, G.; Bugliaro, L.; Protat, A.; Minikin, A.; Wirth, M.; Drnbrack, A.; Shcherbakov, V.; Mayer, B.; Garnier, A.; Gourbeyre, C.

    2012-01-01

    During the CIRCLE-2 experiment carried out over Western Europe in May 2007, combined in situ and remote sensing observations allowed to describe microphysical and optical properties near-top of an overshooting convective cloud (11 080 m/-58 C). The airborne measurements were performed with the DLR Falcon aircraft specially equipped with a unique set of instruments for the extensive in situ cloud measurements of microphysical and optical properties (Polar Nephelometer, FSSP-300, Cloud Particle Imager and PMS 2-D-C) and nadir looking remote sensing observations (DLR WALES Lidar). Quasi-simultaneous space observations from MSG/SEVIRI, CALIPSO/CALIOP-WFC-IIR and CloudSat/CPR combined with airborne RASTA radar reflectivity from the French Falcon aircraft flying above the DLR Falcon depict very well convective cells which overshoot by up to 600 m the tropopause level. Unusual high values of the concentration of small ice particles, extinction, ice water content (up to 70 cm-3, 30 km-1 and 0.5 g m-3, respectively) are experienced. The mean effective diameter and the maximum particle size are 43 ?m and about 300 ?m, respectively. This very dense cloud causes a strong attenuation of the WALES and CALIOP lidar returns. The SEVIRI retrieved parameters confirm the occurrence of small ice crystals at the top of the convective cell. Smooth and featureless phase functions with asymmetry factors of 0.776 indicate fairly uniform optical properties. Due to small ice crystals the power-law relationship between ice water content (IWC) and radar reflectivity appears to be very different from those usually found in cirrus and anvil clouds. For a given equivalent reflectivity factor, IWCs are significantly larger for the overshooting cell than for the cirrus. Assuming the same prevalent microphysical properties over the depth of the overshooting cell, RASTA reflectivity profiles scaled into ice water content show that retrieved IWC up to 1 g m-3 may be observed near the cloud top. Extrapolating the relationship for stronger convective clouds with similar ice particles, IWC up to 5 g m-3 could be experienced with reflectivity factors no larger than about 20 dBZ. This means that for similar situations, indication of rather weak radar echo does not necessarily warn the occurrence of high ice water content carried by small ice crystals. All along the cloud penetration the shape of the ice crystals is dominated by chain-like aggregates of frozen droplets. Our results confirm previous observations that the chains of ice crystals are found in a continental deep convective systems which are known generally to generate intense electric fields causing efficient ice particle aggregation processes. Vigorous updrafts could lift supercooled droplets which are frozen extremely rapidly by homogeneous nucleation near the -37 C level, producing therefore high concentrations of very small ice particles at upper altitudes. They are sufficient to deplete the water vapour and suppress further nucleation as confirmed by humidity measurements. These observations address scientific issues related to the microphysical properties and structure of deep convective clouds and confirm that particles smaller than 50 ?m may control the radiative properties in convective-related clouds. These unusual observations may also provide some possible insights regarding engineering issues related to the failure of jet engines commonly used on commercial aircraft during flights through areas of high ice water content. However, large uncertainties of the measured and derived parameters limit our observations.

  17. Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature.

    PubMed

    Sellberg, J A; Huang, C; McQueen, T A; Loh, N D; Laksmono, H; Schlesinger, D; Sierra, R G; Nordlund, D; Hampton, C Y; Starodub, D; DePonte, D P; Beye, M; Chen, C; Martin, A V; Barty, A; Wikfeldt, K T; Weiss, T M; Caronna, C; Feldkamp, J; Skinner, L B; Seibert, M M; Messerschmidt, M; Williams, G J; Boutet, S; Pettersson, L G M; Bogan, M J; Nilsson, A

    2014-06-19

    Water has a number of anomalous physical properties, and some of these become drastically enhanced on supercooling below the freezing point. Particular interest has focused on thermodynamic response functions that can be described using a normal component and an anomalous component that seems to diverge at about 228 kelvin (refs 1-3). This has prompted debate about conflicting theories that aim to explain many of the anomalous thermodynamic properties of water. One popular theory attributes the divergence to a phase transition between two forms of liquid water occurring in the 'no man's land' that lies below the homogeneous ice nucleation temperature (TH) at approximately 232 kelvin and above about 160 kelvin, and where rapid ice crystallization has prevented any measurements of the bulk liquid phase. In fact, the reliable determination of the structure of liquid water typically requires temperatures above about 250 kelvin. Water crystallization has been inhibited by using nanoconfinement, nanodroplets and association with biomolecules to give liquid samples at temperatures below TH, but such measurements rely on nanoscopic volumes of water where the interaction with the confining surfaces makes the relevance to bulk water unclear. Here we demonstrate that femtosecond X-ray laser pulses can be used to probe the structure of liquid water in micrometre-sized droplets that have been evaporatively cooled below TH. We find experimental evidence for the existence of metastable bulk liquid water down to temperatures of 227(-1)(+2) kelvin in the previously largely unexplored no man's land. We observe a continuous and accelerating increase in structural ordering on supercooling to approximately 229 kelvin, where the number of droplets containing ice crystals increases rapidly. But a few droplets remain liquid for about a millisecond even at this temperature. The hope now is that these observations and our detailed structural data will help identify those theories that best describe and explain the behaviour of water. PMID:24943953

  18. Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature

    NASA Astrophysics Data System (ADS)

    Sellberg, J. A.; Huang, C.; McQueen, T. A.; Loh, N. D.; Laksmono, H.; Schlesinger, D.; Sierra, R. G.; Nordlund, D.; Hampton, C. Y.; Starodub, D.; Deponte, D. P.; Beye, M.; Chen, C.; Martin, A. V.; Barty, A.; Wikfeldt, K. T.; Weiss, T. M.; Caronna, C.; Feldkamp, J.; Skinner, L. B.; Seibert, M. M.; Messerschmidt, M.; Williams, G. J.; Boutet, S.; Pettersson, L. G. M.; Bogan, M. J.; Nilsson, A.

    2014-06-01

    Water has a number of anomalous physical properties, and some of these become drastically enhanced on supercooling below the freezing point. Particular interest has focused on thermodynamic response functions that can be described using a normal component and an anomalous component that seems to diverge at about 228 kelvin (refs 1,2,3 ). This has prompted debate about conflicting theories that aim to explain many of the anomalous thermodynamic properties of water. One popular theory attributes the divergence to a phase transition between two forms of liquid water occurring in the `no man's land' that lies below the homogeneous ice nucleation temperature (TH) at approximately 232 kelvin and above about 160 kelvin, and where rapid ice crystallization has prevented any measurements of the bulk liquid phase. In fact, the reliable determination of the structure of liquid water typically requires temperatures above about 250 kelvin. Water crystallization has been inhibited by using nanoconfinement, nanodroplets and association with biomolecules to give liquid samples at temperatures below TH, but such measurements rely on nanoscopic volumes of water where the interaction with the confining surfaces makes the relevance to bulk water unclear. Here we demonstrate that femtosecond X-ray laser pulses can be used to probe the structure of liquid water in micrometre-sized droplets that have been evaporatively cooled below TH. We find experimental evidence for the existence of metastable bulk liquid water down to temperatures of kelvin in the previously largely unexplored no man's land. We observe a continuous and accelerating increase in structural ordering on supercooling to approximately 229 kelvin, where the number of droplets containing ice crystals increases rapidly. But a few droplets remain liquid for about a millisecond even at this temperature. The hope now is that these observations and our detailed structural data will help identify those theories that best describe and explain the behaviour of water.

  19. Ice friction: The effects of surface roughness, structure, and hydrophobicity

    SciTech Connect

    Kietzig, Anne-Marie; Hatzikiriakos, Savvas G.; Englezos, Peter

    2009-07-15

    The effect of surface roughness, structure, and hydrophobicity on ice friction is studied systematically over a wide range of temperature and sliding speeds using several metallic interfaces. Hydrophobicity in combination with controlled roughness at the nanoscale is achieved by femtosecond laser irradiation to mimic the lotus effect on the slider's surface. The controlled roughness significantly increases the coefficient of friction at low sliding speeds and temperatures well below the ice melting point. However, at temperatures close to the melting point and relatively higher speeds, roughness and hydrophobicity significantly decrease ice friction. This decrease in friction is mainly due to the suppression of capillary bridges in spite of the presence of surface asperities that facilitate their formation. Finally, grooves oriented in the sliding direction also significantly decrease friction in the low velocity range compared to scratches and grooves randomly distributed over a surface.

  20. Coarsening dynamics of ice crystals intercalated between graphene and supporting mica

    NASA Astrophysics Data System (ADS)

    Bampoulis, Pantelis; Lohse, Detlef; Zandvliet, Harold J. W.; Poelsema, Bene

    2016-01-01

    The effect of humidity on intercalated water between exfoliated graphene and mica has been previously reported. At low humidity, epitaxial one-layer thick ice fractals form. The growth of the ice fractal is initiated by the heat extracted from the system by evaporation, into the 3D ambient, of the second layer of water intercalated between mica and graphene under low humidity conditions. Here, we study the fractal shape dependence on the graphene cover and the evaporation rate of the water molecules from the double bilayer. We found that the thickness of the fractals' fingers scale as the square root of the ratio of the bending energy of graphene plus the surface energy of the intercalated ice and the product of the velocity of the fractal front and a term related to hindrance of the water ad-molecules. Ice fractals formed under a thick graphene cover and upon a low evaporation rate are thick with few side branches, whereas fractals grown upon high growth rate under single-layer graphene are thin and very ramified. We attribute the coarsening of fractals to the extra degree of freedom of the surrounding water molecules, enabled by the non-complete adaptation of the ice crystal's morphology by the graphene cover.

  1. Lattice distortion in ice crystals from the Vostok core (Antarctica) revealed by hard X-ray diffraction; implication in the deformation of ice at low stresses

    NASA Astrophysics Data System (ADS)

    Montagnat, Maurine; Duval, Paul; Bastie, Pierre; Hamelin, Bernard; Lipenkov, Volodya Ya.

    2003-09-01

    Hard X-ray diffraction experiments have been carried out on ice monocrystals taken from the 3623 m long Vostok core (Antarctica). Strain gradients associated with the storage of geometrically necessary dislocations appear to be a general feature of the deformation microstructure of ice. The observed lattice distortion is related to the bending of the basal plane and the torsion of the lattice around the c-axis. The lattice distortion is shown to be compatible with the basal dislocations generally observed in ice crystals, supporting the assumption of deformation modes governed by basal slip and accommodated by recrystallization processes. The dependence of the ice viscosity on grain size in ice sheets appears to be compatible with these accommodation modes.

  2. The Structure of Ice Nanoclusters and Thin-films of Water Ice: Implications for Icy Grains in Cold Molecular Clouds

    NASA Technical Reports Server (NTRS)

    Delzeit, Lance; Blake, David; Uffindell, Christine; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    The cubic to hexagonal phase transformation in water ice (I(sub c) yields I(sub h)) is used to measure the extent to which surface structure and impurities control bulk properties. In pure crystalline (I(sub c)) water ice nanoclusters and in thin-films of impure water ice, I(sub c) yields I(sub h) occurs at lower temperatures than in thin-films of pure water ice. The disordered surface of the 20 nm diameter nanoclusters promotes transformations or reactions which would otherwise be kinetically hindered. Likewise, impurities such as methanol introduce defects into the ice network, thereby allowing sluggish structural transitions to proceed. Such surface-related phenomena play an important role in promoting chemical reactions on interstellar ice grains within cold molecular clouds, where the first organic compounds are formed.

  3. Chemical Characterization of Individual Particles and Residuals of Cloud Droplets and Ice Crystals Collected On Board Research Aircraft in the ISDAC 2008 Study

    SciTech Connect

    Hiranuma, Naruki; Brooks, Sarah D.; Moffet, Ryan C.; Glen, Andrew; Laskin, Alexander; Gilles, Marry K.; Liu, Peter; MacDonald, A. M.; Strapp, J. Walter; McFarquhar, Greg

    2013-06-24

    Although it has been shown that size of atmospheric particles has a direct correlation with their ability to act as cloud droplet and ice nuclei, the influence of composition of freshly emitted and aged particles in nucleation processes is poorly understood. In this work we combine data from field measurements of ice nucleation with chemical imaging of the sampled particles to link aerosol composition with ice nucleation ability. Field measurements and sampling were conducted during the Indirect and Semidirect Aerosols Campaign (ISDAC) over Barrow, Alaska, in the springtime of 2008. In-situ ice nucleation measurements were conducted using a Continuous Flow Diffusion Chamber (CFDC). Measured number concentrations of ice nuclei (IN) varied from frequent values of 0.01 per liter to more than 10 per liter. Residuals of airborne droplets and ice crystals were collected through a counterflow virtual impactor (CVI). The compositions of individual atmospheric particles and the residuals were studied using Computer Controlled Scanning Electron Microscopy with Energy Dispersive X-ray analysis (CCSEM/EDX) and Scanning Transmission X-ray Microscopy coupled with Near Edge X-ray Absorption Fine Structure spectroscopy (STXM/NEXAFS). Chemical analysis of cloud particle residuals collected during an episode of high ice nucleation suggests that both size and composition may influence aerosol's ability to act as IN. The STXM/NEXAFS chemical composition maps of individual residuals have characteristic structures of either inorganic or black carbon cores coated by organic materials. In a separate flight, particle samples from a biomass burning plume were collected. Although it has previously been suggested that episodes of biomass burning contribute to increased numbers of highly effective ice nuclei, in this episode we observed that only a small fraction were effective ice nuclei. Most of the particles from the biomass plume episode were smaller in size and were composed of homogeneous organic material without identifiable cores.

  4. Ab initio molecular crystal structures, spectra, and phase diagrams.

    PubMed

    Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

    2014-09-16

    Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Mller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling illustrations of their unprecedented power in addressing some of the outstanding problems of solid-state chemistry, high-pressure chemistry, or geochemistry. They are the structure and spectra of ice Ih, in particular, the origin of two peaks in the hydrogen-bond-stretching region of its inelastic neutron scattering spectra, a solid-solid phase transition from CO2-I to elusive, metastable CO2-III, pressure tuning of Fermi resonance in solid CO2, and the structure and spectra of solid formic acid, all at the level of second-order Mller-Plesset perturbation theory or higher. PMID:24754304

  5. Sensitivity of cirrus cloud radiative properties to ice crystal size and shape in general circulation model simulations

    SciTech Connect

    Mitchell, D.L.; Kristjansson, J.E.; Newman, M.J.

    1995-04-01

    Recent research has shown that the radiative properties of cirrus clouds (i.e., optical depth, albedo, emissivity) depend on the shapes and sizes of ice crystals. For instance, the cloud albedo may vary by a factor of two, depending on whether hexagonal columns or bullet rosette ice crystals are assumed for a given ice water path (IWP). This variance occurs primarily because, at sizes characteristic of cirrus clouds, bullet rosettes have less mass than columns of the same size. However, their projected areas may be comparable. Thus, for a given IWP and mean cloud ice particle size, the optical depth will be considerably greater for rosettes, since many more rosettes are required to account for the IWP than are columns. The same could be said of hexagonal plates and columns, with plates exhibiting the greater optical depth. Satellite information suggests that the albedos of tropical cirrus clouds are greater than those of midlatitude cirrus, with albedos as high as 60%-80%. The reasons for this are not understood, but might be attributed in part to differences in ice particle size and shape. For instance, in the tropical western Pacific, ice crystal size distributions in cirrus near the tropopause exhibited median mass dimensions (D{sub m} around 30 {mu}m) and contained planar polycrystals. Very small ice crystals (typically 10 {mu}m, often ranging from about 2 {mu}m - 100 {mu}m) of indeterminate shape were sampled in anvil cirrus by an ice particle replicator in this region during the Tropical Ocean Global Atmosphere (TOGA) Coupled Ocean Atmosphere Response Experiment (COARE). If fewer columnar ice crystals were present in tropical versus midlatitude cirrus and/or sizes were smaller, tropical cirrus should exhibit greater size distribution projected area, producing greater optical depth, albedo, and emissivity for the same IWP. Smaller crystal sizes would also promote higher albedos via enhanced backscattering.

  6. Structures of cyano-biphenyl liquid crystals

    NASA Technical Reports Server (NTRS)

    Chu, Yuan-Chao; Tsang, Tung; Rahimzadeh, E.; Yin, L.

    1989-01-01

    The structures of p-alkyl- p'-cyano- bicyclohexanes, C(n)H(2n+1) (C6H10)(C6H10) CN (n-CCH), and p-alkyl- p'-cyano- biphenyls, C(n)H(2n+1) (C6H4)(C6H4) CN (n-CBP), were studied. It is convenient to use an x ray image intensification device to search for symmetric x ray diffraction patterns. Despite the similarities in molecular structures of these compounds, very different crystal structures were found. For the smectic phase of 2CCH, the structure is close to rhombohedral with threefold symmetry. In contrast, the structure is close to hexagonal close-packed with two molecules per unit cell for 4CCH. Since intermolecular forces may be quite weak for these liquid crystals systems, it appears that crystal structures change considerably when the alkyl chain length is slightly altered. Different structures were also found in the crystalline phase of n-CBP for n = 6 to 9. For n = 7 to 9, the structures are close to monclinic. The structures are reminiscent of the smectic-A liquid crystal structures with the linear molecules slightly tilted away from the c-axis. In contrast, the structure is quite different for n = 6 with the molecules nearly perpendicular to the c-axis.

  7. Liquid crystal light valve structures

    NASA Technical Reports Server (NTRS)

    Koda, N. J. (inventor)

    1985-01-01

    An improved photosensor film and liquid crystal light valves embodying said film is provided. The photosensor film and liquid crystal light valve is characterized by a significant lower image retention time while maintaining acceptable photosensitivity. The photosensor film is produced by sputter depositing CdS onto an ITO substrate in an atmosphere of argon/H2S gas while maintaining the substrate at a temperature in the range of about 130 C to about 200 C and while introducing nitrogen gas into the system to the extent of not more than about 1% of plasma mixture. Following sputter deposition of the CdS, the film is annealed in an inert gas at temperatures ranging from about 300 C to about 425 C.

  8. Diversity of transition pathways in the course of crystallization into ice VII.

    PubMed

    Mochizuki, Kenji; Himoto, Kazuhiro; Matsumoto, Masakazu

    2014-08-21

    We report various types of pathways emerging in the course of freezing into a high pressure ice VII by large-scale molecular dynamics (MD) simulations at 10 GPa, 425 K. Some trajectories showed an apparently stepwise transition via the unique metastable "phase" in accordance with Ostwald's step rule. The metastable structure was identified as one of the tetrahedrally close-packed structures having the nature of a rotator phase (plastic phase). The unit cell consists of 21 water molecules that has not yet been reported by simulation or by experiments. Structure analysis of numerous trajectories reveals that the nucleation of ice VII easily occurs at the grain boundaries of the metastable embryos, known as epitaxy-mediated transformation in line with Ostwald's step rule. The size of the grain boundaries is thus responsible for the lifetime of the metastable phase. On the other hand, once the embryo of ice VII appears prior to that of the metastable phase in liquid, direct transition to ice VII takes place. We also show that the plastic behavior of the metastable phase is not uniform but is sensitive to the interaction strength of adjacent molecules and the local structure, thus we call "partially plastic ice". PMID:24901352

  9. Evaluation of Morphological Change and Aggregation Process of Ice Crystals in Frozen Food by Using Fractal Analysis

    NASA Astrophysics Data System (ADS)

    Koshiro, Yoko; Watanabe, Manabu; Takai, Rikuo; Hagiwara, Tomoaki; Suzuki, Toru

    Size and shape of ice crystals in frozen food materials are very important because they affect not only quality of foods but also the viability of industrial processing such as freeze-drying of concentration. In this study, 30%wt sucrose solution is used as test samples. For examining the effect of stabilizerspectine and xantan gum is added to the sucrose solution. They are frozen on the cold stage of microscope to be observed their growing ice crystals under the circumstance of -10C. Their size and shape are measured and quantitatively evaluated by applying fractal analysis. lce crystal of complicated shape has large fractal dimension, and vice versa. It successflly categorized the ice crystals into two groups; one is a group of large size and complicated shape, and the other is a group of small size and plain shape. The critical crystal size between the two groups is found to become larger with increasing holding time. It suggests a phenomenological model for metamorphoses process of ice crystals. Further, it is indicated that xantan gum is able to suppress the smoothing of ice crystals.

  10. Communication: Anti-icing characteristics of superhydrophobic surfaces investigated by quartz crystal microresonators

    NASA Astrophysics Data System (ADS)

    Lee, Moonchan; Yim, Changyong; Jeon, Sangmin

    2015-01-01

    We investigated the anti-icing characteristics of superhydrophobic surfaces with various morphologies by using quartz crystal microresonators. Anodic aluminum oxide (AAO) or ZnO nanorods were synthesized directly on gold-coated quartz crystal substrates and their surfaces were rendered hydrophobic via chemical modifications with octyltrichlorosilane (OTS), octadecyltrichlorosilane (ODS), or octadecanethiol (ODT). Four different hydrophobic nanostructures were prepared on the quartz crystals: ODT-modified hydrophobic plain gold (C18-Au), an OTS-modified AAO nanostructure (C8-AAO), an ODS-modified AAO nanostructure (C18-AAO), and ODT-modified ZnO nanorods (C18-ZnO). The water contact angles on the C18-Au, C8-AAO, C18-AAO, and C18-ZnO surfaces were measured to be 91.4, 147.2, 156.3, and 157.8, respectively. A sessile water droplet was placed on each quartz crystal and its freezing temperature was determined by monitoring the drastic changes in the resonance frequency and Q-factor upon freezing. The freezing temperature of a water droplet was found to decrease with decreases in the water contact radius due to the decreases in the number of active sites available for ice nucleation.

  11. Communication: anti-icing characteristics of superhydrophobic surfaces investigated by quartz crystal microresonators.

    PubMed

    Lee, Moonchan; Yim, Changyong; Jeon, Sangmin

    2015-01-28

    We investigated the anti-icing characteristics of superhydrophobic surfaces with various morphologies by using quartz crystal microresonators. Anodic aluminum oxide (AAO) or ZnO nanorods were synthesized directly on gold-coated quartz crystal substrates and their surfaces were rendered hydrophobic via chemical modifications with octyltrichlorosilane (OTS), octadecyltrichlorosilane (ODS), or octadecanethiol (ODT). Four different hydrophobic nanostructures were prepared on the quartz crystals: ODT-modified hydrophobic plain gold (C18-Au), an OTS-modified AAO nanostructure (C8-AAO), an ODS-modified AAO nanostructure (C18-AAO), and ODT-modified ZnO nanorods (C18-ZnO). The water contact angles on the C18-Au, C8-AAO, C18-AAO, and C18-ZnO surfaces were measured to be 91.4°, 147.2°, 156.3°, and 157.8°, respectively. A sessile water droplet was placed on each quartz crystal and its freezing temperature was determined by monitoring the drastic changes in the resonance frequency and Q-factor upon freezing. The freezing temperature of a water droplet was found to decrease with decreases in the water contact radius due to the decreases in the number of active sites available for ice nucleation. PMID:25637961

  12. Influence of particle aspect ratio on the midinfrared extinction spectra of wavelength-sized ice crystals.

    PubMed

    Wagner, Robert; Benz, Stefan; Mhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Leisner, Thomas

    2007-12-20

    We have used the T-matrix method and the discrete dipole approximation to compute the midinfrared extinction cross-sections (4500-800 cm(-1)) of randomly oriented circular ice cylinders for aspect ratios extending up to 10 for oblate and down to 1/6 for prolate particle shapes. Equal-volume sphere diameters ranged from 0.1 to 10 microm for both particle classes. A high degree of particle asphericity provokes a strong distortion of the spectral habitus compared to the extinction spectrum of compactly shaped ice crystals with an aspect ratio around 1. The magnitude and the sign (increase or diminution) of the shape-related changes in both the absorption and the scattering cross-sections crucially depend on the particle size and the values for the real and imaginary part of the complex refractive index. When increasing the particle asphericity for a given equal-volume sphere diameter, the values for the overall extinction cross-sections may change in opposite directions for different parts of the spectrum. We have applied our calculations to the analysis of recent expansion cooling experiments on the formation of cirrus clouds, performed in the large coolable aerosol and cloud chamber AIDA of Forschungszentrum Karlsruhe at a temperature of 210 K. Depending on the nature of the seed particles and the temperature and relative humidity characteristics during the expansion, ice crystals of various shapes and aspect ratios could be produced. For a particular expansion experiment, using Illite mineral dust particles coated with a layer of secondary organic matter as seed aerosol, we have clearly detected the spectral signatures characteristic of strongly aspherical ice crystal habits in the recorded infrared extinction spectra. We demonstrate that the number size distributions and total number concentrations of the ice particles that were generated in this expansion run can only be accurately derived from the recorded infrared spectra when employing aspect ratios as high as 10 in the retrieval approach. Remarkably, the measured spectra could also be accurately fitted when employing an aspect ratio of 1 in the retrieval. The so-deduced ice particle number concentrations, however, exceeded the true values, determined with an optical particle counter, by more than 1 order of magnitude. Thus, the shape-induced spectral changes between the extinction spectra of platelike ice crystals of aspect ratio 10 and compactly shaped particles of aspect ratio 1 can be efficiently balanced by deforming the true number size distribution of the ice cloud. As a result of this severe size/shape ambiguity in the spectral analysis, we consider it indispensable to cross-check the infrared retrieval results of wavelength-sized ice particles with independent reference measurements of either the number size distribution or the particle morphology. PMID:18004822

  13. Crystal Structure Studies of Organic Superconductors

    NASA Astrophysics Data System (ADS)

    Thorup, N.; Rindorf, G.; Soling, H.

    1982-06-01

    X-ray crystal structure determinations have been carried out on (TMTSF)2X, where TMTSF = tetramethyltetraselenafulvalene and X = PF6-, ClO4-, ReO4-. These solids exhibit superconductivity at low temperature (~ 1 K); for PF6- and ReO4- hydrostatic pressure of the order 10 kbar is also required. This paper deals with a description and a comparison of the crystal structures, which have been determined at ambient temperature and pressure. Possible relationships between structural features and physical properties are discussed.

  14. Mineralogical and Crystal Chemical Characterization of Dust Particles From Antarctica Ice Cores

    NASA Astrophysics Data System (ADS)

    Sala, M.; Dapiaggi, M.; Artioli, G.; Marino, F.; Delmonte, B.; Maggi, V.; Frezzotti, M.

    2006-12-01

    Antarctic ice cores are actively studied to understand and reconstruct past climatic changes. Valuable data to this aim are the physical and chemical characteristics of the very cold ice, that in several places in Antarctica laid undisturbed since the time of deposition, carrying information on depostion rates and trapped chemical components, and especially the aeolian mineral particles, which is mainly transported by the wind, its mineralogical and chemical composition being influenced by a complex interplay of atmospheric, hydrological, geographical and geological parameters. Besides a few pioneering studies in the eighties there are no recent detailed investigations on the mineralogical composition of the dust particulate enclosed in the Antarctic ice cores, so that its compostion is commonly evaluated indirectly, by means of recalculations from chemical analyses. A recent project was started to set up an analytical protocol to define the mineralogical and crystal chemical composition of ice dust material. The main challenge is the very small amount of solid particles, which is generally below the ppm range (1-100 mg of dust per kg of melted ice), which makes sample preparation for the different analytical techniques very difficult and prone to external contamination. The developed protocol encompasses X-ray powder diffraction (XRPD), high-resolution transmission electron microscopy (HR-TEM) coupled to energy dispersive X-ray fluorescence analysis (ED-XRF), and proton induced X-ray emission analysis (PIXE) on the same sample, so to combine single-particle and bulk analysis of the material. The results from the different techniques provide for robust procedures for mineral phases identification, as the XRPD informations are cross-checked with single particle TEM results. At the same time XRPD provides for the statistics intrinsically lacking in single particle TEM evaluation. Moreover, the TEM-associated ED-XRF analysis yields an approximate crystal chemistry of each mineral phase, which combined to the quantitative phase analysis obtained by XRPD allows for proper assessment of the PIXE data. Successful identification and analysis has been performed on smectite, illite, kaolinite, talc, K-feldspar, albite, quartz and calcite of a few samples from the EPICA (EPICA - Dome C; 7506' S, 12324' E, 3233 m a.s.l., mean annual accumulation rate 2.5 g cm-2 yr-1 and Talos Dome (TDC, 15904'E, 7246'S, 2316 m a.s.l., mean annual accumulation rate 8 g cm-2 yr-1 ice cores. The procedure is now being applied systematically to the investigation of all dust components from the ice of these drillings.

  15. Variation of Ice Crystal Size, Shape and Asymmetry Parameter in Tops of Convective Storm Systems Observed during SEAC4RS

    NASA Astrophysics Data System (ADS)

    van Diedenhoven, B.; Cairns, B.; Fridlind, A. M.; Ackerman, A. S.

    2014-12-01

    The sizes and shapes of ice particles in tops of convective storms have a significant impact on their radiative properties. Ice crystal sizes and shapes likely vary with altitude, environmental conditions and convective strength, but these relationships are not well characterized. The rich dataset of the NASA SEAC4RS field campaign offers unique perspectives to further identify variations of ice crystal sizes and shapes and their relations to environmental and dynamical conditions. Here we focus on data acquired with the Research Scanning Polarimeter (RSP), which was mounted on the high-altitude ER-2 aircraft during SEAC4RS. RSP's unique multi-angular, multi-wavelength total and polarized reflectance measurements allow retrieval of ice effective radius, the aspect ratio of components of ice crystals, the crystal distortion level and ice asymmetry parameter, as well as cloud optical thickness and cloud top height. Using RSP data, as well as data from the eMAS and CPL sensors and in situ probes, we explore the statistical variation of ice properties retrieved during SEAC4RS in tops of convective systems. The data indicates that, in general, ice crystal populations consistent with plate-like components with aspect ratios near 0.4 are prevalent at cloud tops. The asymmetry parameter is around 0.76-0.8 and generally decreases with increasing cloud top height, mainly because the ice crystal distortion increases with height. Below about 12 km height, the effective radius decreases with increasing altitude, as previously shown for convective clouds using satellite data, but at higher levels the SEAC4RS data indicate a transition to effective radii increasing with cloud top height. Here we explore some possible explanations for this transition, related to its approximate coincidence with the level of minimum stability and the homogeneous freezing level, either of which could affect ice crystal formation and evolution. Additionally, we will demonstrate some of the variability in ice crystal size, shape and asymmetry parameter at different locations and atmospheric conditions observed during SEAC4RS.

  16. Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation.

    PubMed

    Kondo, Hidemasa; Hanada, Yuichi; Sugimoto, Hiroshi; Hoshino, Tamotsu; Garnham, Christopher P; Davies, Peter L; Tsuda, Sakae

    2012-06-12

    Antifreeze proteins (AFPs) are found in organisms ranging from fish to bacteria, where they serve different functions to facilitate survival of their host. AFPs that protect freeze-intolerant fish and insects from internal ice growth bind to ice using a regular array of well-conserved residues/motifs. Less is known about the role of AFPs in freeze-tolerant species, which might be to beneficially alter the structure of ice in or around the host. Here we report the 0.95-Å high-resolution crystal structure of a 223-residue secreted AFP from the snow mold fungus Typhula ishikariensis. Its main structural element is an irregular β-helix with six loops of 18 or more residues that lies alongside an α-helix. β-Helices have independently evolved as AFPs on several occasions and seem ideally structured to bind to several planes of ice, including the basal plane. A novelty of the β-helical fold is the nonsequential arrangement of loops that places the N- and C termini inside the solenoid of β-helical coils. The ice-binding site (IBS), which could not be predicted from sequence or structure, was located by site-directed mutagenesis to the flattest surface of the protein. It is remarkable for its lack of regularity and its poor conservation in homologs from psychrophilic diatoms and bacteria and other fungi. PMID:22645341

  17. Ice-binding site of snow mold fungus antifreeze protein deviates from structural regularity and high conservation

    PubMed Central

    Kondo, Hidemasa; Hanada, Yuichi; Sugimoto, Hiroshi; Hoshino, Tamotsu; Garnham, Christopher P.; Davies, Peter L.; Tsuda, Sakae

    2012-01-01

    Antifreeze proteins (AFPs) are found in organisms ranging from fish to bacteria, where they serve different functions to facilitate survival of their host. AFPs that protect freeze-intolerant fish and insects from internal ice growth bind to ice using a regular array of well-conserved residues/motifs. Less is known about the role of AFPs in freeze-tolerant species, which might be to beneficially alter the structure of ice in or around the host. Here we report the 0.95-Å high-resolution crystal structure of a 223-residue secreted AFP from the snow mold fungus Typhula ishikariensis. Its main structural element is an irregular β-helix with six loops of 18 or more residues that lies alongside an α-helix. β-Helices have independently evolved as AFPs on several occasions and seem ideally structured to bind to several planes of ice, including the basal plane. A novelty of the β-helical fold is the nonsequential arrangement of loops that places the N- and C termini inside the solenoid of β-helical coils. The ice-binding site (IBS), which could not be predicted from sequence or structure, was located by site-directed mutagenesis to the flattest surface of the protein. It is remarkable for its lack of regularity and its poor conservation in homologs from psychrophilic diatoms and bacteria and other fungi. PMID:22645341

  18. Ice island creation, drift, recurrences, mechanical properties, and interactions with arctic offshore oil production structures

    SciTech Connect

    Sackinger, W.M.; Jeffries, M.O.; Li, Fucheng; Lu, Mingchi.

    1991-03-01

    Research and engineering studies on first-year sea ice for over two decades has resulted in the design, construction, and operation of jacket platforms, of artificial islands, and of massive gravity structures which routinely withstand moving sea ice of thickness up to 2 meters. However, the less-common interactions between such structures and moving multiyear ice ([ge]3 meters thick), and also moving ice islands (10 to 60 meters thick) remain as the unknown and potentially most serious hazard for Arctic offshore structures. In this study, research was addressed across the complete span of remaining questions regarding such features. Ice island components, thickness distributions, scenarios and models for the interactions of massive ice features with offshore structures, all were considered. Ice island morphology and calving studies were directed at the cluster of 19 ice islands produced in a calving from the Ward Hunt Ice Shelf on Ellesmere Island in 1983, and also at a calving from the Milne Ice Shelf in 1988. The statistics of ice island dynamics, on both a short-term small-scale basis and also on a long-term basis, were studied. Typical wind velocities of 5 to 7.5 meters per second led to ice island speeds of about 0.014 of the wind speed, at an angle of 20[degrees] to the right of the wind direction. Ice island samples were tested for their stress/strain characteristics. Compressive strength values ranged from 1.64 MPa at a strain rate of 2 [times] 10[sup [minus]7] s[sup [minus]1] to 6.75 MPa at a strain rate of 1 [times] 10[sup [minus]3] s[sup [minus]1]. Scenarios for ice island/structure interactions were developed, and protective countermeasures such as spray ice and ice rubble barriers were suggested. Additional computer modeling of structure/ice interactions for massive ice features is recommended.

  19. Crystal structure of 9-methacryloylanthracene

    PubMed Central

    Agrahari, Aditya; Wagers, Patrick O.; Schildcrout, Steven M.; Masnovi, John; Youngs, Wiley J.

    2015-01-01

    In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030?(16)? out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30?(3) and the stereochemistry about the Csp 2Csp 2 bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallelplanar orientations [shortest centroidcentroid distance = 3.6320?(7)?]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in the a-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction. PMID:26029389

  20. Crystallization and preliminary X-ray crystallographic analysis of an ice-binding protein (FfIBP) from Flavobacterium frigoris PS1.

    PubMed

    Do, Hackwon; Lee, Jun Hyuck; Lee, Sung Gu; Kim, Hak Jun

    2012-07-01

    Ice growth in a cold environment is fatal for polar organisms, not only because of the physical destruction of inner cell organelles but also because of the resulting chemical damage owing to processes such as osmotic shock. The properties of ice-binding proteins (IBPs), which include antifreeze proteins (AFPs), have been characterized and IBPs exhibit the ability to inhibit ice growth by binding to specific ice planes and lowering the freezing point. An ice-binding protein (FfIBP) from the Gram-negative bacterium Flavobacterium frigoris PS1, which was isolated from the Antarctic, has recently been overexpressed. Interestingly, the thermal hysteresis activity of FfIBP was approximately 2.5?K at 50?M, which is ten times higher than that of the moderately active IBP from Arctic yeast (LeIBP). Although FfIBP closely resembles LeIBP in its amino-acid sequence, the antifreeze activity of FfIBP appears to be much greater than that of LeIBP. In an effort to understand the reason for this difference, an attempt was made to solve the crystal structure of FfIBP. Here, the crystallization and X-ray diffraction data of FfIBP are reported. FfIBP was crystallized using the hanging-drop vapour-diffusion method with 0.1?M sodium acetate pH 4.4 and 3?M sodium chloride as precipitant. A complete diffraction data set was collected to a resolution of 2.9?. The crystal belonged to space group P4(1)22, with unit-cell parameters a = b = 69.4, c = 178.2?. The asymmetric unit contained one monomer. PMID:22750870

  1. Crystal structure of ammonia dihydrate II

    NASA Astrophysics Data System (ADS)

    Griffiths, Gareth I. G.; Fortes, A. Dominic; Pickard, Chris J.; Needs, R. J.

    2012-05-01

    We have used density-functional-theory (DFT) methods together with a structure searching algorithm to make an experimentally constrained prediction of the structure of ammonia dihydrate II (ADH-II). The DFT structure is in good agreement with neutron diffraction data and verifies the prediction. The structure consists of the same basic structural elements as ADH-I, with a modest alteration to the packing, but a considerable reduction in volume. The phase diagram of the known ADH and ammonia monohydrate + water-ice structures is calculated with the Perdew-Burke-Ernzerhof density functional, and the effects of a semi-empirical dispersion corrected functional are investigated. The results of our DFT calculations of the finite-pressure elastic constants of ADH-II are compared with the available experimental data for the elastic strain coefficients.

  2. Ice formation and growth shape bacterial community structure in Baltic Sea drift ice.

    PubMed

    Eronen-Rasimus, Eeva; Lyra, Christina; Rintala, Janne-Markus; Jürgens, Klaus; Ikonen, Vilma; Kaartokallio, Hermanni

    2015-02-01

    Drift ice, open water and under-ice water bacterial communities covering several developmental stages from open water to thick ice were studied in the northern Baltic Sea. The bacterial communities were assessed with 16S rRNA gene terminal-restriction fragment length polymorphism and cloning, together with bacterial abundance and production measurements. In the early stages, open water and pancake ice were dominated by Alphaproteobacteria and Actinobacteria, which are common bacterial groups in Baltic Sea wintertime surface waters. The pancake ice bacterial communities were similar to the open-water communities, suggesting that the parent water determines the sea-ice bacterial community in the early stages of sea-ice formation. In consolidated young and thick ice, the bacterial communities were significantly different from water bacterial communities as well as from each other, indicating community development in Baltic Sea drift ice along with ice-type changes. The thick ice was dominated by typical sea-ice genera from classes Flavobacteria and Gammaproteobacteria, similar to those in polar sea-ice bacterial communities. Since the thick ice bacterial community was remarkably different from that of the parent seawater, results indicate that thick ice bacterial communities were recruited from the rarer members of the seawater bacterial community. PMID:25764550

  3. Data mining chemistry and crystal structure

    NASA Astrophysics Data System (ADS)

    Yang, Lusann W.

    The availability of large amounts of data generated by high-throughput computing and experimentation has generated interest in the application of machine learning techniques to materials science. Machine learning of materials behavior requires the use of feature vectors that capture compositional or structural information influence a target property. We present methods for assessing the similarity of compositions, substructures, and crystal structures. Similarity measures are important for the classification and clustering of data points, allowing for the organization of data and the prediction of materials properties. The similarity functions between ions, compositions, substructures and crystal structure are based upon a data-mined probability with which two ions will substitute for each other within the same structure prototype. The composition similarity is validated via the prediction of crystal structure prototypes for oxides from the Inorganic Crystal Structure Database. It performs particularly well on the quaternary oxides, predicting the correct prototype within 5 guesses 90% of the time. The sustructural similarity is validated via the prediction of Li insertion sites in the oxides; it finds all of the Li sites with less than 8 incorrect guesses 90% of the time.

  4. Size and location of ice crystals in pork frozen by high-pressure-assisted freezing as compared to classical methods.

    PubMed

    Martino, M N; Otero, L; Sanz, P D; Zaritzky, N E

    1998-11-01

    In high-pressure-assisted freezing, samples are cooled under pressure (200 MPa) to - 20 °C without ice formation then pressure is released (0.1 MPa) and the high super-cooling reached (approx. 20 °C), promotes uniform and rapid ice nucleation. The size and location of ice crystals in large meat pieces (Longissimus dorsi pork muscle) as a result of high-pressure-assisted freezing were compared to those obtained by air-blast and liquid N(2). Samples from the surface and centre of the frozen muscle were histologically analysed using an indirect technique (isothermal-freeze fixation). Air-blast and cryogenic fluid freezing, having thermal gradients, showed non-uniform ice crystal distributions. High-pressure-assisted frozen samples, both at the surface and at the central zones, showed similar, small-sized ice crystals. This technique is particularly useful for freezing large pieces of food when uniform ice crystal sizes are required. PMID:22061149

  5. Crystal structure and chirality of natural floridoside.

    PubMed

    Simon-Colin, Christelle; Michaud, Franois; Lger, Jean-Michel; Deslandes, Eric

    2003-10-31

    The crystal structure and absolute configuration of natural floridoside (2-O-alpha-D-galactopyranosylglycerol) were determined by single-crystal X-ray diffraction analysis. The space group is orthorhombic P2(1)2(1)2(1) with Z=4, a=4.885(1), b=9.734(1), c=23.886(2) A at 296 +/- 2 K. The structure was solved by a direct method and refined to R=0.0351 from 1914 reflections of Cu Kalpha radiation. PMID:14572727

  6. Crystal structure of potassium sodium tartrate trihydrate

    SciTech Connect

    Egorova, A. E. Ivanov, V. A.; Somov, N. V.; Portnov, V. N.; Chuprunov, E. V.

    2011-11-15

    Crystals of potassium sodium tartrate trihydrate (dl-KNaC{sub 4}H{sub 4}O{sub 6} {center_dot} 3H{sub 2}O) were obtained from an aqueous solution. The crystal shape was described. The atomic structure of the compound was determined and compared with the known structures of dl-KNaC{sub 4}H{sub 4}O{sub 6} {center_dot} 4H{sub 2}O and l-KNaC{sub 4}H{sub 4}O{sub 6} {center_dot} 4H{sub 2}O.

  7. The crystal structure and crystal chemistry of fernandinite and corvusite

    USGS Publications Warehouse

    Evans, H.T., Jr.; Post, J.E.; Ross, D.R.; Nelen, J.A.

    1994-01-01

    Using type material of fernandinite from Minasragra, Peru, and corvusite from the Jack Claim, La Sal Mountains, Utah, the properties and crystal chemistry of these minerals have been determined by Rietveld analysis of the powder X-ray-diffraction patterns. The crystal structure of both species is isotypic with the V2O5 -type layer first found for ??-Ag0.68V2O5; it consists of chains of VO6 octahedra linked by opposite corners (parallel to b) condensed by edge-sharing to form the layer. The vanadium has average valence 4.8, and the resulting layer-charge is balanced by varying amounts of Ca, Na, and K in the interlayer region accompanied by labile water. This study has confirmed the validity of fernandinite as a unique mineral species. It is closely related to corvusite, from which it is distinguished on the basis of the dominant interlayer cation: Ca for fernandinite, Na for curvusite. -Authors

  8. Variation of Ice Crystal Size, Shape and Asymmetry Parameter in Tops of Tropical Deep Convective Clouds

    NASA Technical Reports Server (NTRS)

    Diedenhoven, Bastiaan van; Fridlind, Ann M.; Cairns, Brian; Ackerman, Andrew S.

    2014-01-01

    The variation of ice crystal properties in the tops of deep convective clouds off the north coast of Australia is analyzed. Cloud optical thickness, ice effective radius, aspect ratio of ice crystal components, crystal distortion parameter and asymmetry parameter are simultaneously retrieved from combined measurements of the Moderate Resolution Imaging Spectroradiometer (MODIS) and Polarization and Directionality of the Earth's Reflectances (POLDER) satellite instruments. The data are divided into periods with alternating weak and strong convection. Mostly plate-like particle components with aspect ratios closer to unity and lower asymmetry parameters characterize strongly convective periods, while weakly convective periods generally show lower aspect ratios, relatively more column-like shapes and somewhat greater asymmetry parameters. Results for strongly convective periods show that, with increasing cloud top temperature, the distortion parameter generally decreases, while the asymmetry parameter and effective radius increase. For one of the strongly convective periods, the rate at which effective radii increase with cloud top temperature is more than double that of the other periods, while the temperature dependence of the other microphysical quantities for this period is substantially weaker. Atmospheric state analysis indicates that these differences are concurrent with differences in middle-to-upper tropospheric zonal wind shear. The observed variation of microphysical properties may have significant effects on the shortwave radiative fluxes and cloud absorption associated with deep convection. Additionally, MODIS collection 5 effective radii are estimated to be biased small with an artificially narrow range. Collection 6 products are expected to have less severe biases that depend on cloud top temperature and atmospheric conditions.

  9. Model tests of multi-legged structures in continuous and broken ice fields

    SciTech Connect

    Toyama, Y.; Yashima, N.

    1994-12-31

    This paper describes the results of model tests of a nine-legged fixed structure in ice-infested water. The objective of this experimental study is to understand the interactive behavior of multiple legs and to obtain a practical method for predicting the total loads on entire structure in continuous level ice as well as in broken ice fields. In order to estimate the buckling loads of floating ice flows, finite element analyses of plates on an elastic foundation were performed.

  10. Computing stoichiometric molecular composition from crystal structures

    PubMed Central

    Graulis, Saulius; Merkys, Andrius; Vaitkus, Antanas; Okuli?-Kazarinas, Mykolas

    2015-01-01

    Crystallographic investigations deliver high-accuracy information about positions of atoms in crystal unit cells. For chemists, however, the structure of a molecule is most often of interest. The structure must thus be reconstructed from crystallographic files using symmetry information and chemical properties of atoms. Most existing algorithms faithfully reconstruct separate molecules but not the overall stoichiometry of the complex present in a crystal. Here, an algorithm that can reconstruct stoichiometrically correct multimolecular ensembles is described. This algorithm uses only the crystal symmetry information for determining molecule numbers and their stoichiometric ratios. The algorithm can be used by chemists and crystallographers as a standalone implementation for investigating above-molecular ensembles or as a function implemented in graphical crystal analysis software. The greatest envisaged benefit of the algorithm, however, is for the users of large crystallographic and chemical databases, since it will permit database maintainers to generate stoichiometrically correct chemical representations of crystal structures automatically and to match them against chemical databases, enabling multidisciplinary searches across multiple databases. PMID:26089747

  11. Electromagnetic scattering and absorption by thin walled dielectric cylinders with application to ice crystals

    NASA Technical Reports Server (NTRS)

    Senior, T. B. A.; Weil, H.

    1977-01-01

    Important in the atmospheric heat balance are the reflection, transmission, and absorption of visible and infrared radiation by clouds and polluted atmospheres. Integral equations are derived to evaluate the scattering and absorption of electromagnetic radiation from thin cylindrical dielectric shells of arbitrary cross section when irradiated by a plane wave of any polarization incident in a plane perpendicular to the generators. Application of the method to infinitely long hexagonal cylinders has yielded numerical scattering and absorption data which simulate columnar sheath ice crystals. It is found that the numerical procedures are economical for cylinders having perimeters less than approximately fifteen free-space wavelengths.

  12. Crystal structure of Arabidopsis thaliana cytokinin dehydrogenase

    SciTech Connect

    Bae, Euiyoung; Bingman, Craig A.; Bitto, Eduard; Aceti, David J.; Phillips, Jr., George N.

    2008-08-13

    Since first discovered in Zea mays, cytokinin dehydrogenase (CKX) genes have been identified in many plants including rice and Arabidopsis thaliana, which possesses CKX homologues (AtCKX1-AtCKX7). So far, the three-dimensional structure of only Z. mays CKX (ZmCKX1) has been determined. The crystal structures of ZmCKX1 have been solved in the native state and in complex with reaction products and a slowly reacting substrate. The structures revealed four glycosylated asparagine residues and a histidine residue covalently linked to FAD. Combined with the structural information, recent biochemical analyses of ZmCKX1 concluded that the final products of the reaction, adenine and a side chain aldehyde, are formed by nonenzymatic hydrolytic cleavage of cytokinin imine products resulting directly from CKX catalysis. Here, we report the crystal structure of AtCKX7 (gene locus At5g21482.1, UniProt code Q9FUJ1).

  13. Structure-property evolution during polymer crystallization

    NASA Astrophysics Data System (ADS)

    Arora, Deepak

    The main theme of this research is to understand the structure-property evolution during crystallization of a semicrystalline thermoplastic polymer. A combination of techniques including rheology, small angle light scattering, differential scanning calorimetry and optical microscopy are applied to follow the mechanical and optical properties along with crystallinity and the morphology. Isothermal crystallization experiments on isotactic poly-1-butene at early stages of spherulite growth provide quantitative information about nucleation density, volume fraction of spherulites and their crystallinity, and the mechanism of connecting into a sample spanning structure. Optical microscopy near the fluid-to-solid transition suggests that the transition, as determined by time-resolved mechanical spectroscopy, is not caused by packing/jamming of spherulites but by the formation of a percolating network structure. The effect of strain, Weissenberg number (We ) and specific mechanical work (w) on rate of crystallization (nucleation followed by growth) and on growth of anisotropy was studied for shear-induced crystallization of isotactic poly-1-butene. The samples were sheared for a finite strain at the beginning of the experiment and then crystallized without further flow (Janeschitz-Kriegl protocol). Strain requirements to attain steady state/leveling off of the rate of crystallization were found to be much larger than the strain needed to achieve steady state of flow. The large strain and We>1 criteria were also observed for morphological transition from spherulitic growth to oriented growth. An apparatus for small angle light scattering (SALS) and light transmission measurements under shear was built and tested at the University of Massachusetts Amherst. As a new development, the polarization direction can be rotated by a liquid crystal polarization rotator (LCPR) with a short response time of 20 ms. The experiments were controlled and analyzed with a LabVIEW(TM) based code (LabVIEW(TM) 7.1) in real time. The SALS apparatus was custom built for ExxonMobil Research in Clinton NJ.

  14. Requirements for structure determination of aperiodic crystals

    SciTech Connect

    Li, X.; Stern, E.A.; Ma, Y. )

    1991-01-15

    Using computer simulation, we compared the Patterson functions of one-dimensional (1D) randomly packed and quasiperiodic Fibonacci lattices with or without disorder, and a 2D Penrose lattice and random packing of pentagons (icosahedral glass model). Based on these comparisons, we derived some empirical guidelines for distinguishing ideal quasicrystals from aperiodic crystals with disorder using diffraction data. In contrast to periodic crystals, it is essential to include the background to obtain correct Patterson functions of the average structure since the background contains unresolved peaks. In particular, a Bragg peak scattering measurement {ital cannot}, in general, determine the structure of aperiodic crystals. Instead, a diffuse scattering measurement is required, which determines the absolute value of the diffraction background, in addition to the Bragg peaks. We further estimate that, dependent upon the disorder present, it is necessary to include up to 75% of the total diffracted intensity in any analysis.

  15. Ice-crystal absorption: a comparison between theory and implications for remote sensing.

    PubMed

    Baran, A J; Foot, J S; Mitchell, D L

    1998-04-20

    The problem of the disagreement between cirrus crystal sizes determined remotely and by in situ measurements is shown to be due to inappropriate application of Mie theory. We retrieved the absorption optical depth at 8.3 and 11.1 mum from 11 tropical anvil cirrus clouds, using data from the High Resolution Infrared Radiation Sounder (HIRS). We related the absorption optical depth ratio between the two wavelengths to crystal size (the size was defined in terms of the crystal median mass dimension) by assuming Mie theory applied to ice spheres and anomalous diffraction theory (ADT) applied to hexagonal columns, hexagonal plates, bullet rosettes, and aggregates (polycrystals). The application of Mie theory to retrievals yielded crystal sizes approximately one third those obtained with ADT. The retrievals of crystal size by use of HIRS data are compared with measurements of habit and crystal size obtained from in situ measurements of tropical anvil cirrus particles. The results of the comparison show that ADT provides the more realistic retrieval. Moreover, we demonstrate that at infrared wavelengths retrieval of crystal size depends on assumed habit. The reason why Mie theory predicts smaller sizes than ADT is shown to result from particle geometry and enhanced absorption owing to the capture of photons from above the edge of the particle (tunneling). The contribution of particle geometry to absorption is three times greater than from tunneling, but this process enhances absorption by a further 35%. The complex angular momentum and T-matrix methods are used to show that the contribution to absorption by tunneling is diminished as the asphericity of spheroidal particles is increased. At an aspect ratio of 6 the contribution to the absorption that is due to tunneling is substantially reduced for oblate particles, whereas for prolate particles the tunneling contribution is reduced by 50% relative to the sphere. PMID:18273143

  16. Ice-Crystal Absorption: A Comparison Between Theory and Implications for Remote Sensing

    NASA Astrophysics Data System (ADS)

    Baran, Anthony J.; Foot, John S.; Mitchell, David L.

    1998-04-01

    The problem of the disagreement between cirrus crystal sizes determined remotely and by in situ measurements is shown to be due to inappropriate application of Mie theory. We retrieved the absorption optical depth at 8.3 and 11.1 m from 11 tropical anvil cirrus clouds, using data from the High Resolution Infrared Radiation Sounder (HIRS). We related the absorption optical depth ratio between the two wavelengths to crystal size (the size was defined in terms of the crystal median mass dimension) by assuming Mie theory applied to ice spheres and anomalous diffraction theory (ADT) applied to hexagonal columns, hexagonal plates, bullet rosettes, and aggregates (polycrystals). The application of Mie theory to retrievals yielded crystal sizes approximately one third those obtained with ADT. The retrievals of crystal size by use of HIRS data are compared with measurements of habit and crystal size obtained from in situ measurements of tropical anvil cirrus particles. The results of the comparison show that ADT provides the more realistic retrieval. Moreover, we demonstrate that at infrared wavelengths retrieval of crystal size depends on assumed habit. The reason why Mie theory predicts smaller sizes than ADT is shown to result from particle geometry and enhanced absorption owing to the capture of photons from above the edge of the particle (tunneling). The contribution of particle geometry to absorption is three times greater than from tunneling, but this process enhances absorption by a further 35%. The complex angular momentum and T -matrix methods are used to show that the contribution to absorption by tunneling is diminished as the asphericity of spheroidal particles is increased. At an aspect ratio of 6 the contribution to the absorption that is due to tunneling is substantially reduced for oblate particles, whereas for prolate particles the tunneling contribution is reduced by 50% relative to the sphere.

  17. Interaction of ice binding proteins with ice, water and ions.

    PubMed

    Oude Vrielink, Anneloes S; Aloi, Antonio; Olijve, Luuk L C; Voets, Ilja K

    2016-01-01

    Ice binding proteins (IBPs) are produced by various cold-adapted organisms to protect their body tissues against freeze damage. First discovered in Antarctic fish living in shallow waters, IBPs were later found in insects, microorganisms, and plants. Despite great structural diversity, all IBPs adhere to growing ice crystals, which is essential for their extensive repertoire of biological functions. Some IBPs maintain liquid inclusions within ice or inhibit recrystallization of ice, while other types suppress freezing by blocking further ice growth. In contrast, ice nucleating proteins stimulate ice nucleation just below 0 °C. Despite huge commercial interest and major scientific breakthroughs, the precise working mechanism of IBPs has not yet been unraveled. In this review, the authors outline the state-of-the-art in experimental and theoretical IBP research and discuss future scientific challenges. The interaction of IBPs with ice, water and ions is examined, focusing in particular on ice growth inhibition mechanisms. PMID:26787386

  18. Supressed Water Crystallization in Nano-Structured Physical Hydrogel

    NASA Astrophysics Data System (ADS)

    Wiener, Clinton; Vogt, Bryan; Weiss, Robert

    2015-03-01

    Suppressed water crystallization occurs in some organisms, such as the common wood frog, which allows it to hibernate in a frozen state without damage to its cells. Knowledge of the behavior of supercooled water and alternate ice forms may have many implications to many fields of science. Supercooling of water by several degrees below the normal freezing point is often observed in hydrogels that have attractive interactions with water, e.g., hydrogen bonding. Repulsive confinement, such as in hydrophobic porous carbon, can have even more significant effects on the supercooling of the entrapped water. This talk describes the freezing behavior in nano-structured, hydrophobically modified poly(dimethyl acrylamide) hydrogels that possess attractive and repulsive interactions with water and are physically crosslinked by hydrophobic nanodomains. Three distinct water freezing regimes were observed in the hydrogel swollen to about 50% water by weight. Differential scanning calorimetry detected three crystallization exotherms at 254K, 244K, and 227K. Quasi-elastic neutron scattering experiments have shown that although the water mobility was suppressed at room temperature, the water remained significantly mobile below the normal freezing point of water. The talk will discuss how tuning the concentration of the hydrophobic composition of the hydrogel affects the porous length scales in the hydrogel, which may alter the state of water and the crystal form produced by supercooling.

  19. In situ Determination of Surface Tension-to-Shear Viscosity Ratio for Quasiliquid Layers on Ice Crystal Surfaces

    NASA Astrophysics Data System (ADS)

    Murata, Ken-ichiro; Asakawa, Harutoshi; Nagashima, Ken; Furukawa, Yoshinori; Sazaki, Gen

    2015-12-01

    We have experimentally determined the surface tension-to-shear viscosity ratio (the so-called characteristic velocity) of quasiliquid layers (QLLs) on ice crystal surfaces from their wetting dynamics. Using an advanced optical microscope, whose resolution reaches the molecular level in the height direction, we directly observed the coalescent process of QLLs and followed the relaxation modes of their contact lines. The relaxation dynamics is known to be governed by the characteristic velocity, which allows us to access the physical properties of QLLs in a noninvasive way. Here we quantitatively demonstrate that QLLs, when completely wetting ices, have a thickness of 9 3 nm and an approximately 200 times lower characteristic velocity than bulk water, whereas QLLs, when partially wetting ices, have a velocity that is 20 times lower than the bulk. This indicates that ice crystal surfaces significantly affect the physical properties of QLLs localized near the surfaces at a nanometer scale.

  20. Shear induced structures in crystallizing cocoa butter

    NASA Astrophysics Data System (ADS)

    Mazzanti, Gianfranco; Guthrie, Sarah E.; Sirota, Eric B.; Marangoni, Alejandro G.; Idziak, Stefan H. J.

    2004-03-01

    Cocoa butter is the main structural component of chocolate and many cosmetics. It crystallizes in several polymorphs, called phases I to VI. We used Synchrotron X-ray diffraction to study the effect of shear on its crystallization. A previously unreported phase (phase X) was found and a crystallization path through phase IV under shear was observed. Samples were crystallized under shear from the melt in temperature controlled Couette cells, at final crystallization temperatures of 17.5^oC, 20^oC and 22.5^oC in Beamline X10A of NSLS. The formation of phase X was observed at low shear rates (90 s-1) and low crystallization temperature (17.5^oC), but was absent at high shear (720 s-1) and high temperature (20^oC). The d-spacing and melting point suggest that this new phase is a mixture rich on two of the three major components of cocoa butter. We also found that, contrary to previous reports, the transition from phase II to phase V can happen through the intermediate phase IV, at high shear rates and temperature.

  1. Architecture of crystal structures from square planes.

    PubMed

    Hauck, J; Mika, K

    2000-10-01

    The crystal structures of ordered b.c.c. (body-centered cubic), f.c. c. (face-centered cubic) or primitive cubic alloys AxBy and related NaCl, ZnS or CaF(2) derivative structures are characterized by the self-coordination numbers T(1), T(2) of the A atoms with A atoms. Structures with identical T(1) and T(2) values for all A atoms are at the corners of T(1) and T(2) structure maps, and can be analyzed for attractive or repulsive interactions of A atoms. Most observed structures are at the borders of the structure map and can be obtained by approximately 10 different combinations of structural units. The different combination mechanisms explain e.g. the shear structures of CuAu II or Nb(2)O(5) and the occurrence of vacancies in NaCl-related structures like NbO. PMID:11006550

  2. Structure analysis on synthetic emerald crystals

    NASA Astrophysics Data System (ADS)

    Lee, Pei-Lun; Lee, Jiann-Shing; Huang, Eugene; Liao, Ju-Hsiou

    2013-05-01

    Single crystals of emerald synthesized by means of the flux method were adopted for crystallographic analyses. Emerald crystals with a wide range of Cr3+-doping content up to 3.16 wt% Cr2O3 were examined by X-ray single crystal diffraction refinement method. The crystal structures of the emerald crystals were refined to R 1 (all data) of 0.019-0.024 and w R 2 (all data) of 0.061-0.073. When Cr3+ substitutes for Al3+, the main adjustment takes place in the Al-octahedron and Be-tetrahedron. The effect of substitution of Cr3+ for Al3+ in the beryl structure results in progressively lengthening of the Al-O distance, while the length of the other bonds remains nearly unchanged. The substitution of Cr3+ for Al3+ may have caused the expansion of a axis, while keeping the c axis unchanged in the emerald lattice. As a consequence, the Al-O-Si and Al-O-Be bonding angles are found to decrease, while the angle of Si-O-Be increases as the Al-O distance increases during the Cr replacement.

  3. Crystal structure of a plectonemic RNA supercoil

    SciTech Connect

    Stagno, Jason R.; Ma, Buyong; Li, Jess; Altieri, Amanda S.; Byrd, R. Andrew; Ji, Xinhua

    2012-12-14

    Genome packaging is an essential housekeeping process in virtually all organisms for proper storage and maintenance of genetic information. Although the extent and mechanisms of packaging vary, the process involves the formation of nucleic-acid superstructures. Crystal structures of DNA coiled coils indicate that their geometries can vary according to sequence and/or the presence of stabilizers such as proteins or small molecules. However, such superstructures have not been revealed for RNA. Here we report the crystal structure of an RNA supercoil, which displays one level higher molecular organization than previously reported structures of DNA coiled coils. In the presence of an RNA-binding protein, two interlocking RNA coiled coils of double-stranded RNA, a 'coil of coiled coils', form a plectonemic supercoil. Molecular dynamics simulations suggest that protein-RNA interaction is required for the stability of the supercoiled RNA. This study provides structural insight into higher order packaging mechanisms of nucleic acids.

  4. Spectrally Consistent Scattering, Absorption, and Polarization Properties of Atmospheric Ice Crystals at Wavelengths from 0.2 to 100 um

    NASA Technical Reports Server (NTRS)

    Yang, Ping; Bi, Lei; Baum, Bryan A.; Liou, Kuo-Nan; Kattawar, George W.; Mishchenko, Michael I.; Cole, Benjamin

    2013-01-01

    A data library is developed containing the scattering, absorption, and polarization properties of ice particles in the spectral range from 0.2 to 100 microns. The properties are computed based on a combination of the Amsterdam discrete dipole approximation (ADDA), the T-matrix method, and the improved geometric optics method (IGOM). The electromagnetic edge effect is incorporated into the extinction and absorption efficiencies computed from the IGOM. A full set of single-scattering properties is provided by considering three-dimensional random orientations for 11 ice crystal habits: droxtals, prolate spheroids, oblate spheroids, solid and hollow columns, compact aggregates composed of eight solid columns, hexagonal plates, small spatial aggregates composed of 5 plates, large spatial aggregates composed of 10 plates, and solid and hollow bullet rosettes. The maximum dimension of each habit ranges from 2 to 10,000 microns in 189 discrete sizes. For each ice crystal habit, three surface roughness conditions (i.e., smooth, moderately roughened, and severely roughened) are considered to account for the surface texture of large particles in the IGOM applicable domain. The data library contains the extinction efficiency, single-scattering albedo, asymmetry parameter, six independent nonzero elements of the phase matrix (P11, P12, P22, P33, P43, and P44), particle projected area, and particle volume to provide the basic single-scattering properties for remote sensing applications and radiative transfer simulations involving ice clouds. Furthermore, a comparison of satellite observations and theoretical simulations for the polarization characteristics of ice clouds demonstrates that ice cloud optical models assuming severely roughened ice crystals significantly outperform their counterparts assuming smooth ice crystals.

  5. Crystal Structure of Human Enterovirus 71

    SciTech Connect

    Plevka, Pavel; Perera, Rushika; Cardosa, Jane; Kuhn, Richard J.; Rossmann, Michael G.

    2013-04-08

    Enterovirus 71 is a picornavirus associated with fatal neurological illness in infants and young children. Here, we report the crystal structure of enterovirus 71 and show that, unlike in other enteroviruses, the 'pocket factor,' a small molecule that stabilizes the virus, is partly exposed on the floor of the 'canyon.' Thus, the structure of antiviral compounds may require a hydrophilic head group designed to interact with residues at the entrance of the pocket.

  6. Crystal structure of zwitterionic bisimidazolium sulfonates

    NASA Astrophysics Data System (ADS)

    Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao

    2012-05-01

    Crystal structures of three zwitterionic bisimidazolium salts 1-3 in which imidazolium sulfonate moieties were connected with aromatic linkers, p-xylylene, 4,4'-dimethylenebiphenyl, and phenylene, respectively, were examined. The latter two were obtained as hydrates. An S-shaped molecular structure in which the sulfonate moiety was placed on the imidazolium ring was observed for 1. A helical array of hydrated water molecules was obtained for 2 while a linear array of hydrated water molecules was observed for 3.

  7. Direct determination of interfacial supercooling for ice crystal growth in aquious Antifreeze Glico-Protein solution

    NASA Astrophysics Data System (ADS)

    Furukawa, Yoshinori; Inohara, Naomi

    2001-03-01

    Ice crystal growth from aqueous solution of Antifreeze Glico Protein (AFGP) was carried out using an experimental apparatus of one-directional growth. Pattern developments at the ice/water interface were observed in-situ using an interference microscope. Completely flat interfaces before the beginning of growth were changed to randomly perturbed patterns and finally to the periodically jagged interfaces composed of flat prismatic faces. We found that the interfacial supercooling temperatures, δ T, at the ice/AFGP solution interface were directly determined from the distances between the top and bottom of zigzag patterns. δ T increased with increasing growth rates of interface at the slower growth rates, but these relations were reversed when the growth rates went over a critical value. If we assume that δ T is proportionally dependent on the density of adsorbed molecules at the interface, this result may be explained by the interaction between the rejection rates of AFGP molecules at the interface and the replacement rates of new interfaces. The observations of growth steps on the prismatic faces will be also introduced.

  8. Flies expand the repertoire of protein structures that bind ice.

    PubMed

    Basu, Koli; Graham, Laurie A; Campbell, Robert L; Davies, Peter L

    2015-01-20

    An antifreeze protein (AFP) with no known homologs has been identified in Lake Ontario midges (Chironomidae). The midge AFP is expressed as a family of isoforms at low levels in adults, which emerge from fresh water in spring before the threat of freezing temperatures has passed. The 9.1-kDa major isoform derived from a preproprotein precursor is glycosylated and has a 10-residue tandem repeating sequence xxCxGxYCxG, with regularly spaced cysteines, glycines, and tyrosines comprising one-half its 79 residues. Modeling and molecular dynamics predict a tightly wound left-handed solenoid fold in which the cysteines form a disulfide core to brace each of the eight 10-residue coils. The solenoid is reinforced by intrachain hydrogen bonds, side-chain salt bridges, and a row of seven stacked tyrosines on the hydrophobic side that forms the putative ice-binding site. A disulfide core is also a feature of the similar-sized beetle AFP that is a β-helix with seven 12-residue coils and a comparable circular dichroism spectrum. The midge and beetle AFPs are not homologous and their ice-binding sites are radically different, with the latter comprising two parallel arrays of outward-pointing threonines. However, their structural similarities is an amazing example of convergent evolution in different orders of insects to cope with change to a colder climate and provide confirmation about the physical features needed for a protein to bind ice. PMID:25561557

  9. Flies expand the repertoire of protein structures that bind ice

    PubMed Central

    Basu, Koli; Graham, Laurie A.; Campbell, Robert L.; Davies, Peter L.

    2015-01-01

    An antifreeze protein (AFP) with no known homologs has been identified in Lake Ontario midges (Chironomidae). The midge AFP is expressed as a family of isoforms at low levels in adults, which emerge from fresh water in spring before the threat of freezing temperatures has passed. The 9.1-kDa major isoform derived from a preproprotein precursor is glycosylated and has a 10-residue tandem repeating sequence xxCxGxYCxG, with regularly spaced cysteines, glycines, and tyrosines comprising one-half its 79 residues. Modeling and molecular dynamics predict a tightly wound left-handed solenoid fold in which the cysteines form a disulfide core to brace each of the eight 10-residue coils. The solenoid is reinforced by intrachain hydrogen bonds, side-chain salt bridges, and a row of seven stacked tyrosines on the hydrophobic side that forms the putative ice-binding site. A disulfide core is also a feature of the similar-sized beetle AFP that is a β-helix with seven 12-residue coils and a comparable circular dichroism spectrum. The midge and beetle AFPs are not homologous and their ice-binding sites are radically different, with the latter comprising two parallel arrays of outward-pointing threonines. However, their structural similarities is an amazing example of convergent evolution in different orders of insects to cope with change to a colder climate and provide confirmation about the physical features needed for a protein to bind ice. PMID:25561557

  10. Calorimetric study of crystal growth of ice in hydrated methemoglobin and of redistribution of the water clusters formed on melting the ice.

    PubMed Central

    Sartor, G; Mayer, E

    1994-01-01

    Calorimetric studies of the melting patterns of ice in hydrated methemoglobin powders containing between 0.43 and 0.58 (g water)/(g protein), and of their dependence on annealing at subzero temperatures and on isothermal treatment at ambient temperature are reported. Cooling rates were varied between approximately 1500 and 5 K min-1 and heating rate was 30 K min-1. Recrystallization of ice during annealing is observed at T > 228 K. The melting patterns of annealed samples are characteristically different from those of unannealed samples by the shifting of the melting temperature of the recrystallized ice fraction to higher temperatures toward the value of "bulk" ice. The "large" ice crystals formed during recrystallization melt on heating into "large" clusters of water whose redistribution and apparent equilibration is followed as a function of time and/or temperature by comparison with melting endotherms. We have also studied the effect of cooling rate on the melting pattern of ice with a methemoglobin sample containing 0.50 (g water)/(g protein), and we surmise that for this hydration cooling at rates of > or = approximately 150 K min-1 preserves on the whole the distribution of water molecules present at ambient temperature. PMID:7819504

  11. Photonic Crystal Laser-Driven Accelerator Structures

    SciTech Connect

    Cowan, Benjamin M.

    2007-08-22

    Laser-driven acceleration holds great promise for significantly improving accelerating gradient. However, scaling the conventional process of structure-based acceleration in vacuum down to optical wavelengths requires a substantially different kind of structure. We require an optical waveguide that (1) is constructed out of dielectric materials, (2) has transverse size on the order of a wavelength, and (3) supports a mode with speed-of-light phase velocity in vacuum. Photonic crystals---structures whose electromagnetic properties are spatially periodic---can meet these requirements. We discuss simulated photonic crystal accelerator structures and describe their properties. We begin with a class of two-dimensional structures which serves to illustrate the design considerations and trade-offs involved. We then present a three-dimensional structure, and describe its performance in terms of accelerating gradient and efficiency. We discuss particle beam dynamics in this structure, demonstrating a method for keeping a beam confined to the waveguide. We also discuss material and fabrication considerations. Since accelerating gradient is limited by optical damage to the structure, the damage threshold of the dielectric is a critical parameter. We experimentally measure the damage threshold of silicon for picosecond pulses in the infrared, and determine that our structure is capable of sustaining an accelerating gradient of 300 MV/m at 1550 nm. Finally, we discuss possibilities for manufacturing these structures using common microfabrication techniques.

  12. FAST TRACK COMMUNICATION: Growth melt asymmetry in ice crystals under the influence of spruce budworm antifreeze protein

    NASA Astrophysics Data System (ADS)

    Pertaya, Natalya; Celik, Yeliz; Di Prinzio, Carlos L.; Wettlaufer, J. S.; Davies, Peter L.; Braslavsky, Ido

    2007-10-01

    Here we describe studies of the crystallization behavior of ice in an aqueous solution of spruce budworm antifreeze protein (sbwAFP) at atmospheric pressure. SbwAFP is an ice binding protein with high thermal hysteresis activity, which helps protect Choristoneura fumiferana (spruce budworm) larvae from freezing as they overwinter in the spruce and fir forests of the north eastern United States and Canada. Different types of ice binding proteins have been found in many other species. They have a wide range of applications in cryomedicine and cryopreservation, as well as the potential to protect plants and vegetables from frost damage through genetic engineering. However, there is much to learn regarding the mechanism of action of ice binding proteins. In our experiments, a solution containing sbwAFP was rapidly frozen and then melted back, thereby allowing us to produce small single crystals. These maintained their hexagonal shapes during cooling within the thermal hysteresis gap. Melt-growth-melt sequences in low concentrations of sbwAFP reveal the same shape transitions as are found in pure ice crystals at low temperature (-22 °C) and high pressure (2000 bar) (Cahoon et al 2006 Phys. Rev. Lett. 96 255502) while both growth and melt shapes display faceted hexagonal morphology, they are rotated 30° relative to one another. Moreover, the initial melt shape and orientation is recovered in the sequence. To visualize the binding of sbwAFP to ice, we labeled the antifreeze protein with enhanced green fluorescent protein (eGFP) and observed the sbwAFP-GFP molecules directly on ice crystals using confocal microscopy. When cooling the ice crystals, facets form on the six primary prism planes (slowest growing planes) that are evenly decorated with sbwAFP-GFP. During melting, apparent facets form on secondary prism planes (fastest melting planes), leaving residual sbwAFP at the six corners of the hexagon. Thus, the same general growth-melt behavior of an apparently rotated crystal that is observed in pure ice under high pressure and low temperature is reproduced in ice under the influence of sbwAFP at ambient pressure and temperatures near 0 °C.

  13. Comparison in Schemes for Simulating Depositional Growth of Ice Crystal between Theoretical and Laboratory Data

    NASA Astrophysics Data System (ADS)

    Zhai, Guoqing; Li, Xiaofan

    2015-04-01

    The Bergeron-Findeisen process has been simulated using the parameterization scheme for the depositional growth of ice crystal with the temperature-dependent theoretically predicted parameters in the past decades. Recently, Westbrook and Heymsfield (2011) calculated these parameters using the laboratory data from Takahashi and Fukuta (1988) and Takahashi et al. (1991) and found significant differences between the two parameter sets. There are two schemes that parameterize the depositional growth of ice crystal: Hsie et al. (1980), Krueger et al. (1995) and Zeng et al. (2008). In this study, we conducted three pairs of sensitivity experiments using three parameterization schemes and the two parameter sets. The pre-summer torrential rainfall event is chosen as the simulated rainfall case in this study. The analysis of root-mean-squared difference and correlation coefficient between the simulation and observation of surface rain rate shows that the experiment with the Krueger scheme and the Takahashi laboratory-derived parameters produces the best rain-rate simulation. The mean simulated rain rates are higher than the mean observational rain rate. The calculations of 5-day and model domain mean rain rates reveal that the three schemes with Takahashi laboratory-derived parameters tend to reduce the mean rain rate. The Krueger scheme together with the Takahashi laboratory-derived parameters generate the closest mean rain rate to the mean observational rain rate. The decrease in the mean rain rate caused by the Takahashi laboratory-derived parameters in the experiment with the Krueger scheme is associated with the reductions in the mean net condensation and the mean hydrometeor loss. These reductions correspond to the suppressed mean infrared radiative cooling due to the enhanced cloud ice and snow in the upper troposphere.

  14. Role of small ice crystals in radiative properties of cirrus: A case study, FIRE II, November 22, 1991

    NASA Technical Reports Server (NTRS)

    Arnott, W. Patrick; Dong, Yayi; Hallett, John; Poellot, Michael R.

    1994-01-01

    Aircraft observations of cirrus cloud were made near Coffeyville, Kansas, during November 1991 as part of the First ISCCP Regional Experiment II (FIRE II) project. Cloud ice particle spectra measurements were made using both a particle measuring system (PMS) 2DC probe and an ice particle replicator. Particles larger than 200 micrometers were column rosettes. The replicator shows the presence of large numbers of ice crystals smaller than 66 micrometers (two PMS size bins) that are not recorded by the PMS 2DC probe. Calculations based on the replicator data of the geometrical blocked area and absorption cross section of the cloud per unit volume show that small particles can contribute significantly to and sometimes dominate both the solar extinction and the infrared emission. Intercomparison is made of the ice particle size, area, and mass distributions determined by these different instruments. Power law relationships for area occluded by a crystal as a function of crystal maximum dimension were computed from the PMS 2DC data. The wavelength-dependent infrared absorption cross section per volume was computed using a simple model based on anomalous diffraction and area and mass dimensional relationships for the ice crystals.

  15. Advanced Optical Diagnostics for Ice Crystal Cloud Measurements in the NASA Glenn Propulsion Systems Laboratory

    NASA Technical Reports Server (NTRS)

    Bencic, Timothy J.; Fagan, Amy; Van Zante, Judith F.; Kirkegaard, Jonathan P.; Rohler, David P.; Maniyedath, Arjun; Izen, Steven H.

    2013-01-01

    A light extinction tomography technique has been developed to monitor ice water clouds upstream of a direct connected engine in the Propulsion Systems Laboratory (PSL) at NASA Glenn Research Center (GRC). The system consists of 60 laser diodes with sheet generating optics and 120 detectors mounted around a 36-inch diameter ring. The sources are pulsed sequentially while the detectors acquire line-of-sight extinction data for each laser pulse. Using computed tomography algorithms, the extinction data are analyzed to produce a plot of the relative water content in the measurement plane. To target the low-spatial-frequency nature of ice water clouds, unique tomography algorithms were developed using filtered back-projection methods and direct inversion methods that use Gaussian basis functions. With the availability of a priori knowledge of the mean droplet size and the total water content at some point in the measurement plane, the tomography system can provide near real-time in-situ quantitative full-field total water content data at a measurement plane approximately 5 feet upstream of the engine inlet. Results from ice crystal clouds in the PSL are presented. In addition to the optical tomography technique, laser sheet imaging has also been applied in the PSL to provide planar ice cloud uniformity and relative water content data during facility calibration before the tomography system was available and also as validation data for the tomography system. A comparison between the laser sheet system and light extinction tomography resulting data are also presented. Very good agreement of imaged intensity and water content is demonstrated for both techniques. Also, comparative studies between the two techniques show excellent agreement in calculation of bulk total water content averaged over the center of the pipe.

  16. Crystal structure of riboflavin synthase

    SciTech Connect

    Liao, D.-I.; Wawrzak, Z.; Calabrese, J.C.; Viitanen, P.V.; Jordan, D.B.

    2010-03-05

    Riboflavin synthase catalyzes the dismutation of two molecules of 6,7-dimethyl-8-(1'-D-ribityl)-lumazine to yield riboflavin and 4-ribitylamino-5-amino-2,6-dihydroxypyrimidine. The homotrimer of 23 kDa subunits has no cofactor requirements for catalysis. The enzyme is nonexistent in humans and is an attractive target for antimicrobial agents of organisms whose pathogenicity depends on their ability to biosynthesize riboflavin. The first three-dimensional structure of the enzyme was determined at 2.0 {angstrom} resolution using the multiwavelength anomalous diffraction (MAD) method on the Escherichia coli protein containing selenomethionine residues. The homotrimer consists of an asymmetric assembly of monomers, each of which comprises two similar {beta} barrels and a C-terminal {alpha} helix. The similar {beta} barrels within the monomer confirm a prediction of pseudo two-fold symmetry that is inferred from the sequence similarity between the two halves of the protein. The {beta} barrels closely resemble folds found in phthalate dioxygenase reductase and other flavoproteins. The three active sites of the trimer are proposed to lie between pairs of monomers in which residues conserved among species reside, including two Asp-His-Ser triads and dyads of Cys-Ser and His-Thr. The proposed active sites are located where FMN (an analog of riboflavin) is modeled from an overlay of the {beta} barrels of phthalate dioxygenase reductase and riboflavin synthase. In the trimer, one active site is formed, and the other two active sites are wide open and exposed to solvent. The nature of the trimer configuration suggests that only one active site can be formed and be catalytically competent at a time.

  17. The Surface Structure of Ground Metal Crystals

    NASA Technical Reports Server (NTRS)

    Boas, W.; Schmid, E.

    1944-01-01

    The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).

  18. A design protocol for tailoring ice-templated scaffold structure

    PubMed Central

    Pawelec, K. M.; Husmann, A.; Best, S. M.; Cameron, R. E.

    2014-01-01

    In this paper, we show, for the first time, the key link between scaffold architecture and latent heat evolution during the production of porous biomedical collagen structures using freeze-drying. Collagen scaffolds are used widely in the biomedical industry for the repair and reconstruction of skeletal tissues and organs. Freeze-drying of collagen slurries is a standard industrial process, and, until now, the literature has sought to characterize the influence of set processing parameters including the freezing protocol and weight percentage of collagen. However, we are able to demonstrate, by monitoring the local thermal events within the slurry during solidification, that nucleation, growth and annealing processes can be controlled, and therefore we are able to control the resulting scaffold architecture. Based on our correlation of thermal profile measurements with scaffold architecture, we hypothesize that there is a link between the fundamental freezing of ice and the structure of scaffolds, which suggests that this concept is applicable not only for collagen but also for ceramics and pharmaceuticals. We present a design protocol of strategies for tailoring the ice-templated scaffold structure. PMID:24402916

  19. A design protocol for tailoring ice-templated scaffold structure.

    PubMed

    Pawelec, K M; Husmann, A; Best, S M; Cameron, R E

    2014-03-01

    In this paper, we show, for the first time, the key link between scaffold architecture and latent heat evolution during the production of porous biomedical collagen structures using freeze-drying. Collagen scaffolds are used widely in the biomedical industry for the repair and reconstruction of skeletal tissues and organs. Freeze-drying of collagen slurries is a standard industrial process, and, until now, the literature has sought to characterize the influence of set processing parameters including the freezing protocol and weight percentage of collagen. However, we are able to demonstrate, by monitoring the local thermal events within the slurry during solidification, that nucleation, growth and annealing processes can be controlled, and therefore we are able to control the resulting scaffold architecture. Based on our correlation of thermal profile measurements with scaffold architecture, we hypothesize that there is a link between the fundamental freezing of ice and the structure of scaffolds, which suggests that this concept is applicable not only for collagen but also for ceramics and pharmaceuticals. We present a design protocol of strategies for tailoring the ice-templated scaffold structure. PMID:24402916

  20. Impacts of Crystallization on Protein Structural Dynamics

    NASA Astrophysics Data System (ADS)

    Kelemen, Lorand; Nie, Beining; Xie, Aihua; Anderson, Spencer; Philip, Andrew; Hoff, Wouter D.

    2005-10-01

    X-ray crystallographic technique is a powerful technique for structural determination of steady state proteins. Now this technique has been further developed to determine the structures of transient states of proteins during their functional processes. Can a protein function in the crystalline state? It is often assumed but untested that the functionally important structural dynamics of a protein are preserved in the crystalline state. This lack of test is largely due to the fact that major structural determination techniques, x-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy, can only be applied to either crystalline state or solution state, not both. Here we report our direct study on the impacts of protein crystallization on the structural dynamics of a blue light photoreceptor protein using time-resolved Fourier transform infrared (FTIR) difference spectroscopic techniques. We found that proteins in crystalline state experience suppressed conformational changes, accelerated kinetics, and altered proton transfer pathway upon light activation. Furthermore, we show that crystallization salt itself has profound impacts on structural dynamics and proton transfer pathway. These results strongly demonstrate that it is necessary and crucial to test and determine whether transient/cold-trapped x-ray crystallography can resolve the protein structures of intermediate states that reflect the natural protein structural dynamics.

  1. Coagulation factor XII protease domain crystal structure

    PubMed Central

    Pathak, M; Wilmann, P; Awford, J; Li, C; Hamad, BK; Fischer, PM; Dreveny, I; Dekker, LV; Emsley, J

    2015-01-01

    Background Coagulation factor XII is a serine protease that is important for kinin generation and blood coagulation, cleaving the substrates plasma kallikrein and FXI. Objective To investigate FXII zymogen activation and substrate recognition by determining the crystal structure of the FXII protease domain. Methods and results A series of recombinant FXII protease constructs were characterized by measurement of cleavage of chromogenic peptide and plasma kallikrein protein substrates. This revealed that the FXII protease construct spanning the light chain has unexpectedly weak proteolytic activity compared to β-FXIIa, which has an additional nine amino acid remnant of the heavy chain present. Consistent with these data, the crystal structure of the light chain protease reveals a zymogen conformation for active site residues Gly193 and Ser195, where the oxyanion hole is absent. The Asp194 side chain salt bridge to Arg73 constitutes an atypical conformation of the 70-loop. In one crystal form, the S1 pocket loops are partially flexible, which is typical of a zymogen. In a second crystal form of the deglycosylated light chain, the S1 pocket loops are ordered, and a short α-helix in the 180-loop of the structure results in an enlarged and distorted S1 pocket with a buried conformation of Asp189, which is critical for P1 Arg substrate recognition. The FXII structures define patches of negative charge surrounding the active site cleft that may be critical for interactions with inhibitors and substrates. Conclusions These data provide the first structural basis for understanding FXII substrate recognition and zymogen activation. PMID:25604127

  2. Crystal structures of two orthorhombic zirconias

    SciTech Connect

    Howard, C.J. ); Kisi, E.H. ); Ohtaka, O. )

    1991-09-01

    The crystal structures of orthorhombic zirconias formed by cooling magnesia-partially-stabilized zirconia (Mg-PSZ) (space group Pbc2{sub 1}) and by quenching zirconia powder from 600{degrees} C and 6 GPa (space group Pbca) are compared and contrasted. It is demonstrated that the two structures are easily distinguished by the neutron powder diffraction techniques used to establish them. The occurrence of two distinct phases is hence proved. Structural relationships between these two phases and also with the in situ high-pressure structure proposed from x-ray diffraction (XRD) are discussed. In this paper the three structures are virtually indistinguishable by XRD and so the structure of the high-pressure form in situ is considered to remain unknown.

  3. Solar radiative transfer in cirrus clouds. I - Single-scattering and optical properties of hexagonal ice crystals. II - Theory and computations of multiple scattering in an anisotropic medium

    NASA Technical Reports Server (NTRS)

    Takano, Yoshihide; Liou, Kuo-Nan

    1989-01-01

    The light scattering and absorption programs of Cai and Liou (1982) and Takano and Jaweera (1985) are extended to include hexagonal ice crystals randomly and horizontally oriented in space. The scattering and polarization results for the ice crystals are calculated. The results are compared with measurement data. The single-scattering properties for horizontally oriented columns and plates are presented and used to explain halos and arcs observed in the atmopshere. In the second section, the theory and computations for multiple scattering in cirrus clouds containing oriented ice crystals are presented. The radiative transfer in clouds composed of horizontally oriented ice crystals is formulated. Also, reflected and transmitted intensities, planetary albedo, and polarization in multiple scattering by ice crystals are discussed.

  4. Structural phase transitions in layered perovskitelike crystals

    SciTech Connect

    Aleksandrov, K.S.

    1995-03-01

    Possible symmetry changes due to small tilts of octahedra are considered for layered perovskite-like crystals containing slabs of several ({ell}) layers of comer-sharing octahedra. In the crystals with {ell} > 1, four types of distortions are possible; as a rule, these distortions correspond to the librational modes of the parent lattice. Condensation of these soft modes is the reason for structural phase transitions or sequences of phase transitions. The results obtained are compared with the known experimental data for a number of layered ferroelectric and ferroelastic perovskite-like compounds. An application of the results to the initial stage of determining unknown structures is discussed with particular attention paid to high-temperature superconductors. 76 refs., 9 figs., 7 tabs.

  5. Crystal structure of sodium cyclodinitridoimidodisulfophosphate dihydrate

    SciTech Connect

    Sokol, V.I.; Porai-Koshits, M.A.; Kop'eva, M.A.; Rozanov, I.A.; Beresnev, E.N.

    1987-04-01

    An x-ray structural investigation of the sodium salt with a heterocyclic anion containing P, N, and S atoms Na3HN3S2PO6 x 2H2O has been carried out (lambdaMo, 2485 reflections, anisotropic least-squares method to R = 0.043). The crystals are monoclinic: a = 7.832(2), b = 9.954(3), c = 13.281(4) A, US = 91.06, Z = 4, space group P21/n. The structure is built up from cyclic (H3S2PO4)T anions, Na cations, and molecules of water of crystallization. The heterocycle has a chair conformation and exists in the dinitridoimido tautomeric form, and the proton is located at a nitrogen atom positioned between a sulfur atom and the phosphorus atom.

  6. Amine free crystal structure: The crystal structure of d(CGCGCG){sub 2} and methylamine complex crystal

    SciTech Connect

    Ohishi, Hirofumi . E-mail: ohishi@gly.oups.ac.jp; Tsukamoto, Koji; Hiyama, Yoichi; Maezaki, Naoyoshi; Tanaka, Tetsuaki; Ishida, Toshimasa

    2006-09-29

    We succeeded in the crystallization of d(CGCGCG){sub 2} and methylamine Complex. The crystal was clear and of sufficient size to collect the X-ray crystallographic data up to 1.0 A resolution using synchrotron radiation. As a result of X-ray crystallographic analysis of 2F {sub o} - F {sub c} map was much clear and easily traced. It is First time monoamine co-crystallizes with d(CGCGCG){sub 2}. However, methylamine was not found from the complex crystal of d(CGCGCG){sub 2} and methylamine. Five Mg ions were found around d(CGCGCG){sub 2} molecules. These Mg ions neutralized the anion of 10 values of the phosphate group of DNA with five Mg{sup 2+}. DNA stabilized only by a metallic ion and there is no example of analyzing the X-ray crystal structure like this. Mg ion stabilizes the conformation of Z-DNA. To use monoamine for crystallization of DNA, we found that we can get only d(CGCGCG){sub 2} and Mg cation crystal. Only Mg cation can stabilize the conformation of Z-DNA. The method of using the monoamine for the crystallization of DNA can be applied to the crystallization of DNA of long chain of length in the future like this.

  7. THE STRUCTURE OF SURFACE H{sub 2}O LAYERS OF ICE-COVERED PLANETS WITH HIGH-PRESSURE ICE

    SciTech Connect

    Ueta, S.; Sasaki, T. E-mail: takanori@geo.titech.ac.jp

    2013-10-01

    Many extrasolar (bound) terrestrial planets and free-floating (unbound) planets have been discovered. While the existence of bound and unbound terrestrial planets with liquid water is an important question, of particular importance is the question of these planets' habitability. Even for a globally ice-covered planet, geothermal heat from the planetary interior may melt the interior ice, creating an internal ocean covered by an ice shell. In this paper, we discuss the conditions that terrestrial planets must satisfy for such an internal ocean to exist on the timescale of planetary evolution. The question is addressed in terms of planetary mass, distance from a central star, water abundance, and abundance of radiogenic heat sources. In addition, we investigate the structure of the surface H{sub 2}O layers of ice-covered planets by considering the effects of ice under high pressure (high-pressure ice). As a fiducial case, a 1 M{sub ⊕} planet at 1 AU from its central star and with 0.6-25 times the H{sub 2}O mass of the Earth could have an internal ocean. We find that high-pressure ice layers may appear between the internal ocean and the rock portion on a planet with an H{sub 2}O mass over 25 times that of the Earth. The planetary mass and abundance of surface water strongly restrict the conditions under which an extrasolar terrestrial planet may have an internal ocean with no high-pressure ice under the ocean. Such high-pressure ice layers underlying the internal ocean are likely to affect the habitability of the planet.

  8. Observations on the crystal structures of lueshite

    NASA Astrophysics Data System (ADS)

    Mitchell, Roger H.; Burns, Peter C.; Knight, Kevin S.; Howard, Christopher J.; Chakhmouradian, Anton R.

    2014-06-01

    Laboratory powder XRD patterns of the perovskite-group mineral lueshite from the type locality (Lueshe, Kivu, DRC) and pure NaNbO3 demonstrate that lueshite does not adopt the same space group ( Pbma; #57) as the synthetic compound. The crystal structures of lueshite (2 samples) from Lueshe, Mont Saint-Hilaire (Quebec, Canada) and Sallanlatvi (Kola, Russia) have been determined by single-crystal CCD X-ray diffraction. These room temperature X-ray data for all single-crystal samples can be satisfactorily refined in the orthorhombic space group Pbnm (#62). Cell dimensions, atomic coordinates of the atoms, bond lengths and octahedron tilt angles are given for four crystals. Conventional neutron diffraction patterns for Lueshe lueshite recorded over the temperature range 11-1,000 K confirm that lueshite does not adopt space group Pbma within these temperatures. Neutron diffraction indicates no phase changes on cooling from room temperature to 11 K. None of these neutron diffraction data give satisfactorily refinements but suggest that this is the space group Pbnm. Time-of-flight neutron diffraction patterns for Lueshe lueshite recorded from room temperature to 700 C demonstrate phase transitions above 550 C from Cmcm through P4 /mbm to above 650 C. Cell dimensions and atomic coordinates of the atoms are given for the three high-temperature phases. The room temperature to 400 C structures cannot be satisfactorily resolved, and it is suggested that the lueshite at room temperature consists of domains of pinned metastable phases with orthorhombic and/or monoclinic structures. However, the sequence of high-temperature phase transitions observed is similar to those determined for synthetic NaTaO3, suggesting that the equilibrated room temperature structure of lueshite is orthorhombic Pbnm.

  9. Crystal Structures of New Ammonium 5-Aminotetrazolates

    PubMed Central

    Lampl, Martin; Salchner, Robert; Laus, Gerhard; Braun, Doris E.; Kahlenberg, Volker; Wurst, Klaus; Fuhrmann, Gerda; Schottenberger, Herwig; Huppertz, Hubert

    2015-01-01

    The crystal structures of three salts of anionic 5-aminotetrazole are described. The tetramethylammonium salt (P1?) forms hydrogen-bonded ribbons of anions which accept weak CH?N contacts from the cations. The cystamine salt (C2/c) shows wave-shaped ribbons of anions linked by hydrogen bonds to screw-shaped dications. The tetramethylguanidine salt (P21/c) exhibits layers of anions hydrogen-bonded to the cations. PMID:26753100

  10. Nonlinear dynamic response of a simple ice-structure interaction model

    SciTech Connect

    Karr, D.G.; Troesch, A.W.; Wingate, W.C. . Dept. of Naval Architecture and Marine Engineering)

    1993-11-01

    The problem addressed in the continuous indentation of a ship or offshore structure into an ice sheet. The impacting ship or offshore structure is represented by a mass-spring-dashpot system having a constant velocity relative to the ice sheet. The dynamic response of this simple analogue model of ice-structure interaction is studied in considerable detail. The complicated, highly nonlinear dynamic response is due to intermittent ice breakage and intermittent contact of the structure with the ice. Periodic motions are found and the periodicity for a particular system is dependent upon initial conditions. For a representative system, a Poincare map is presented showing the fixed points. A description of some of the effects of random variations in system parameters is also presented. Some implications of these findings regarding structural design for ice interaction are discussed.

  11. Importance of aggregation and small ice crystals in cirrus clouds, based on observations and an ice particle growth model

    NASA Technical Reports Server (NTRS)

    Mitchell, David L.; Chai, Steven K.; Dong, Yayi; Arnott, W. Patrick; Hallett, John

    1993-01-01

    The 1 November 1986 FIRE I case study was used to test an ice particle growth model which predicts bimodal size spectra in cirrus clouds. The model was developed from an analytically based model which predicts the height evolution of monomodal ice particle size spectra from the measured ice water content (IWC). Size spectra from the monomodal model are represented by a gamma distribution, N(D) = N(sub o)D(exp nu)exp(-lambda D), where D = ice particle maximum dimension. The slope parameter, lambda, and the parameter N(sub o) are predicted from the IWC through the growth processes of vapor diffusion and aggregation. The model formulation is analytical, computationally efficient, and well suited for incorporation into larger models. The monomodal model has been validated against two other cirrus cloud case studies. From the monomodal size spectra, the size distributions which determine concentrations of ice particles less than about 150 mu m are predicted.

  12. Tectonics of icy satellites driven by melting and crystallization of water bodies inside their ice shells

    NASA Astrophysics Data System (ADS)

    Johnston, Stephanie Ann

    Enceladus and Europa are icy satellites that currently support bodies of liquid water in the outer solar system Additionally, they show signs of being geologically active. Developing numerical models informed by observations of these icy satellites allows for the development of additional constraints and an improved understanding of the tectonics and evolution of icy satellites. The formation mechanisms for both chaos and ridges on Europa are thought to involve water as albedo changes observed in association with them imply the deposition of salt-rich water near these features. Ridges are the most ubiquitous feature on Europa and are described as central troughs flanked by two raised edifices, range in height from tens to hundreds of meters. Europan ridges can extend hundreds of km continuously along strike but are only about 2 km across. A model of a crystallizing dike--like water intrusion is able to match the overall morphology of ridges, and is consistent the long continuous strike. However, the intrusion of a large volume of water is required to match the most common heights of the ridges. Chaos on Europa is defined as a large area of disrupted ice that contain blocks of pre-existing material separated by a hummocky matrix. A proposed mechanism for the formation of Chaos is that a region of heterogeneous ice within the shell is melted and then recrystallizes. Comparing the model results with the geology of Thera Macula, a region where it has been proposed that Chaos is currently forming, suggests that additional processes may be needed to fully understand the development of Chaos. Water-rich plumes erupt from the south pole of Enceladus, suggesting the presence of a pressurized water reservoir. If a pressurized sea is located beneath the south polar terrain, its geometry and size in the ice shell would contribute to the stress state in the ice shell. The geometry and location of such an ocean, as well as the boundary conditions and thickness of an ice shell have important implications for the faulting and tectonic deformation anticipated at the surface.

  13. Earth Structure, Ice Mass Changes, and the Local Dynamic Geoid

    NASA Astrophysics Data System (ADS)

    Harig, C.; Simons, F. J.

    2014-12-01

    Spherical Slepian localization functions are a useful method for studying regional mass changes observed by satellite gravimetry. By projecting data onto a sparse basis set, the local field can be estimated more easily than with the full spherical harmonic basis. We have used this method previously to estimate the ice mass change in Greenland from GRACE data, and it can also be applied to other planetary problems such as global magnetic fields. Earth's static geoid, in contrast to the time-variable field, is in large part related to the internal density and rheological structure of the Earth. Past studies have used dynamic geoid kernels to relate this density structure and the internal deformation it induces to the surface geopotential at large scales. These now classical studies of the eighties and nineties were able to estimate the mantle's radial rheological profile, placing constraints on the ratio between upper and lower mantle viscosity. By combining these two methods, spherical Slepian localization and dynamic geoid kernels, we have created local dynamic geoid kernels which are sensitive only to density variations within an area of interest. With these kernels we can estimate the approximate local radial rheological structure that best explains the locally observed geoid on a regional basis. First-order differences of the regional mantle viscosity structure are accessible to this technique. In this contribution we present our latest, as yet unpublished results on the geographical and temporal pattern of ice mass changes in Antarctica over the past decade, and we introduce a new approach to extract regional information about the internal structure of the Earth from the static global gravity field. Both sets of results are linked in terms of the relevant physics, but also in being developed from the marriage of Slepian functions and geoid kernels. We make predictions on the utility of our approach to derive fully three-dimensional rheological Earth models, to be used for corrections for glacio-isostatic adjustment, as necessary for the interpretation of time-variable gravity observations in terms of ice sheet mass-balance studies.

  14. Predicting polymeric crystal structures by evolutionary algorithms

    NASA Astrophysics Data System (ADS)

    Zhu, Qiang; Sharma, Vinit; Oganov, Artem R.; Ramprasad, Ramamurthy

    2014-10-01

    The recently developed evolutionary algorithm USPEX proved to be a tool that enables accurate and reliable prediction of structures. Here we extend this method to predict the crystal structure of polymers by constrained evolutionary search, where each monomeric unit is treated as a building block with fixed connectivity. This greatly reduces the search space and allows the initial structure generation with different sequences and packings of these blocks. The new constrained evolutionary algorithm is successfully tested and validated on a diverse range of experimentally known polymers, namely, polyethylene, polyacetylene, poly(glycolic acid), poly(vinyl chloride), poly(oxymethylene), poly(phenylene oxide), and poly (p-phenylene sulfide). By fixing the orientation of polymeric chains, this method can be further extended to predict the structures of complex linear polymers, such as all polymorphs of poly(vinylidene fluoride), nylon-6 and cellulose. The excellent agreement between predicted crystal structures and experimentally known structures assures a major role of this approach in the efficient design of the future polymeric materials.

  15. Artificial antifreeze polypeptides: alpha-helical peptides with KAAK motifs have antifreeze and ice crystal morphology modifying properties.

    PubMed

    Zhang, W; Laursen, R A

    1999-07-23

    Antifreeze polypeptides from fish are generally thought to inhibit ice crystal growth by specific adsorption onto ice surfaces and preventing addition of water molecules to the ice lattice. Recent studies have suggested that this adsorption results from hydrogen bonding through the side chains of polar amino acids as well as hydrophobic interactions between the non-polar domains on the ice-binding side of antifreeze polypeptides and the clathrate-like surfaces of ice. In order to better understand the activity of one of the antifreeze polypeptide families, namely the alpha-helical type I antifreeze polypeptides, four alpha-helical peptides having sequences not directly analogous to those of known antifreeze polypeptides and containing only positively charged and non-polar side chains were synthesized. Two peptides with regularly spaced lysine residues, GAAKAAKAAAAAAAKAAKAAAAAAAKAAKAAGGY-NH2 and GAALKAAKAAAAAALKAAKAAAAAALKAAKAAGGY-NH2, showed antifreeze activity, albeit weaker than seen in natural antifreeze polypeptides, by the criteria of freezing point depression (thermal hysteresis) and ice crystal modification to a hexagonal trapezohedron. Peptides with irregular spacing of Lys residues were completely inactive. Up to now, lysine residues have not been generally associated with antifreeze activity, though they have been implicated in some antifreeze polypeptides. This work also shows that lysine residues in themselves, when properly positioned on an alpha-helical polyalanine scaffold, have all the requisite properties needed for such an activity. PMID:10437807

  16. Ice rule correlations in stuffed spin ice

    NASA Astrophysics Data System (ADS)

    Aldus, R. J.; Fennell, T.; Deen, P. P.; Ressouche, E.; Lau, G. C.; Cava, R. J.; Bramwell, S. T.

    2013-01-01

    Stuffed spin ice is a chemical variation of a spin ice material like Ho2Ti2O7 in which extra magnetic ions are inserted into the crystal structure. Previous studies have shown that the degree of stuffing has very little effect on the residual entropy in the system, which takes a value very close to the spin ice entropy. We argue, however, that the observation of this entropy does not imply long range coherence of the ice rules, that determine the local spin configurations. We have characterized deviations from the ice rules by means of a polarized neutron diffraction study of a single crystal of Ho2+δTi2-δO7-δ/2 with δ = 0.3. Our results demonstrate that the ice rules in stuffed spin ice are strictly valid only over a relatively short range, and that at longer range stuffed spin ice exhibits some characteristics of a ‘cluster glass’, with a tendency to more conventional ferromagnetic correlations.

  17. ORTEP2. Crystal Structure Illustration Plots

    SciTech Connect

    Johnson, C.K.

    1982-02-17

    ORTEP2 draws crystal structure illustrations using a CalComp plotter. Ball and stick type illustrations of publication quality are produced with either spheres or thermal motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are calculated also as part of the structural study. ORTEP2 includes a hidden line algorithm to eliminate those portions of atoms or bonds behind other atoms or bonds.

  18. Crystal structure and DFT calculations of andrographiside

    NASA Astrophysics Data System (ADS)

    Seth, Saikat Kumar; Banerjee, Sukdeb; Kar, Tanusree

    2010-02-01

    Crystal and molecular structure of a labdane diterpenoid glucoside, andrographiside ( 1) is determined from 2D-NMR and X-ray diffraction data. The 2D-NMR study indicates that the carbohydrate moiety is in ?-linkage and the sugar moiety is linked to C-19 of the aglycon. These observations are further confirmed from the X-ray diffraction studies. Both the six-membered rings are in chair conformation whereas the glucose ring adopts a twist-boat conformation. The molecular geometries and electronic structure of ( 1) were calculated at the DFT level using the hybrid exchange-correlation functional, BLYP, PW91 and PBE.

  19. Crystallization and preliminary X-ray crystallographic studies of the ice-binding protein from the Arctic [correction of Aantarctic] yeast Leucosporidium sp. AY30.

    PubMed

    Park, Ae Kyung; Park, Kyoung Sun; Kim, Hak Jun; Park, Hyun; Ahn, In Young; Chi, Young Min; Moon, Jin Ho

    2011-07-01

    Freezing is dangerous to cellular organisms because it causes an increase in the concentration of ions and other solutes in the plasma, denatures biomolecules and ruptures cell membranes. Some cold-adapted organisms can survive at subzero temperatures by producing proteins that bind to and inhibit the growth of ice crystals. To better understand the structure and function of these proteins, the ice-binding protein from Leucosporidium sp. AY30 (LeIBP) was overexpressed, purified and crystallized. The native crystal belonged to space group P4(3)2(1)2, with unit-cell parameters a=b=98.05, c=106.13?. Since LeIBP lacks any cysteine or methionine residues, two leucine residues (Leu69 and Leu155) were substituted by methionine residues in order to obtain selenomethionine-substituted LeIBP for use in multiple-wavelength anomalous diffraction (MAD) phasing. The selenomethionine-substituted mutant crystallized in the same space group as the native protein. PMID:21795798

  20. The coefficient of friction between sea ice and various materials used in offshore structure

    SciTech Connect

    Saeki, H.; Nakazawa, N.; Ono, T.; Sakai, M.; Tanaka, S.

    1984-05-01

    When structures having inclined surfaces, such as cone type and inclined pile structures, are constructed in coastal and offshore cold regions, sea ice pressure must be considered in their design. In order to estimate this ice pressure, the relationship of the coefficients of static and kinetic friction between sea ice in various conditions and construction materials must be clarified. The authors have been conducting, for four years, coefficient of friction experiments between sea ice and various commonly used offshore construction materials such as concrete and steel. These coefficients have been found to be affected by the following: i) relative velocity ii) sea ice temperature iii) surface roughness of construction material They have been found to be relatively unaffected by the following: i) contact area ii) vertical stress iii) growth direction of sea ice iv) water in the sea ice interface

  1. Fourier Analysis and Structure Determination--Part III: X-ray Crystal Structure Analysis.

    ERIC Educational Resources Information Center

    Chesick, John P.

    1989-01-01

    Discussed is single crystal X-ray crystal structure analysis. A common link between the NMR imaging and the traditional X-ray crystal structure analysis is reported. Claims that comparisons aid in the understanding of both techniques. (MVL)

  2. Retrieval of cirrus optical thickness and assessment of ice crystal shape from ground-based imaging spectrometry

    NASA Astrophysics Data System (ADS)

    Schfer, M.; Bierwirth, E.; Ehrlich, A.; Heyner, F.; Wendisch, M.

    2013-08-01

    A ground-based hyperspectral imaging spectrometer (AisaEAGLE, manufactured by Specim Ltd., Finland) is applied to measure downward spectral radiance fields with high spatial (1024 spatial pixels within 36.7 field of view), spectral (488 spectral pixels, 400-970 nm, 1.25 nm full width at half maximum), and temporal (4-30 Hz) resolution. The calibration, measurement and data evaluation procedures are introduced. A new method is presented to retrieve the cirrus optical thickness (?ci) using the spectral radiance data collected by AisaEAGLE. The data were collected during the Cloud Aerosol Radiation and tuRbulence of trade wInd cumuli over BArbados (CARRIBA) project in 2011. The spatial inhomogeneity of the investigated cirrus is characterised by the standard deviation of the retrieved ?ci as well as the width of its frequency distribution. By comparing measured and simulated downward solar spectral radiance as a function of scattering angle, some evidence of the prevailing cirrus ice crystal shape can be obtained and subsequently used to substantiate the retrieval of ?ci. The sensitivity of the retrieval method with respect to surface albedo, effective radius (reff), cloud height and ice crystal shape is quantified. An enhanced sensitivity of the retrieved ?ci is found with respect to the surface albedo (up to 30%) and ice crystal shape (up to 90%). The sensitivity with regard to the effective ice crystal radius (≤ 5%) and the cloud height (≤ 0.5%) is rather small and can be neglected.

  3. T-1020 NaI crystal test for DM-Ice

    SciTech Connect

    Maruyama, Reina; Heeger, Karsten; Pierpoint, Zachary; Pettus, Walter; Broerman, Benjamin; Hilgenberg, Chris; Webber, David; /Wisconsin U., Madison

    2011-11-03

    This is a memorandum of understanding between the Fermi National Accelerator Laboratory (Fermilab) and the experiments of the NaI Crystal Test for DM-Ice from the University of Wisconsin who have committed to participate in detector tests to be carried out during the 2011-2012 Fermilab Neutrino program. The memorandum is intended primarily for the purpose of recording expectations for budget estimates and work allocations for Fermilab, the funding agencies and the participating institutions. It reflects an arrangement that currently is satisfactory to the parties; however, it is recognized and anticipated that changing circumstances of the evolving research program will necessitate revisions. The parties agree to modify this memorandum to reflect such required adjustments. Actual contractual obligations will be set forth in separate documents. The DM-Ice collaboration is designing a sodium-iodide (NaI) based detector for a direct dark matter search. The detectors should have low readout noise and background levels to carry out a sensitive search. A 17-kg version of the experiment is running at the South Pole, 2500 m deep in the Antarctic ice, and a large scale experiment is currently being designed. One of the keys to the success of the experiment is to have a good understanding of the background levels intrinsic in the NaI detectors. To measure the background level, the detectors have to be shielded against cosmic rays. The lead shielding used for DAMIC in the Minos Underground Areas is a well-suited location for this test since it offers enough overburden to shield against cosmic rays, lead shielding, and experimental infrastructure. The goal of the test is to assess the background levels in the detector and to assess the characteristics of phosphorescence induced by muons and 100 keV-3 MeV gamma rays.

  4. Beam-splitting code for light scattering by ice crystal particles within geometric-optics approximation

    NASA Astrophysics Data System (ADS)

    Konoshonkin, Alexander V.; Kustova, Natalia V.; Borovoi, Anatoli G.

    2015-10-01

    The open-source beam-splitting code is described which implements the geometric-optics approximation to light scattering by convex faceted particles. This code is written in C++ as a library which can be easy applied to a particular light scattering problem. The code uses only standard components, that makes it to be a cross-platform solution and provides its compatibility to popular Integrated Development Environments (IDE's). The included example of solving the light scattering by a randomly oriented ice crystal is written using Qt 5.1, consequently it is a cross-platform solution, too. Both physical and computational aspects of the beam-splitting algorithm are discussed. Computational speed of the beam-splitting code is obviously higher compared to the conventional ray-tracing codes. A comparison of the phase matrix as computed by our code with the ray-tracing code by A. Macke shows excellent agreement.

  5. The single-crystal, basal face of ice I(h) investigated with sum frequency generation.

    PubMed

    Groenzin, Henning; Li, Irene; Buch, Victoria; Shultz, Mary Jane

    2007-12-01

    Sum frequency generation spectroscopy has been used to investigate the hydrogen-bonded region of single-crystal, hexagonal ice in the temperature range of 113-178 K. The temperature and polarization dependences of the signal are used in conjunction with a recent theoretical model to suggest an interpretation of the bluest and reddest of the hydrogen-bonded peaks. The reddest feature is associated with strong hydrogen bonding; the dynamic polarizability of this feature is primarily parallel to the surface. It is assigned to a cooperative motion among the companion to the free-OH and four-coordinate oscillators hydrogen bonded to dangling lone-pair molecules on the surface. The bluest hydrogen-bonded feature is similarly assigned to a cooperative motion of the OH stretch of dangling lone-pair molecules and of four-coordinate molecules in the lower half bilayer that are hydrogen bonded to free-OH molecules. Reconstruction induced strain is present at as low as 113 K. These results provide a richer picture of the ice surface than has heretofore been possible. PMID:18067359

  6. Convective Troposphere-Stratosphere Transport in the Tropics and Hydration by ice Crystals Geysers

    NASA Astrophysics Data System (ADS)

    Pommereau, J.

    2008-12-01

    Twenty-five years ago the suggestion was made by Danielsen of direct fast convective penetration of tropospheric air in the stratosphere over land convective systems. Although the existence of the mechanism is accepted, it was thought to be rare and thus its contribution to Troposphere-Stratosphere Transport (TST) of chemical species and water vapour at global scale unimportant at global scale. In contrast to this assumption, observations of temperature, water vapour, ice particles, long-lived tropospheric species during HIBISCUS, TROCCINOX and SCOUT-O3 over Brazil, Australia and Africa and more recently CALIPSO aerosols observations suggest that it is a general feature of tropical land convective regions in the summer. Particularly relevant to stratospheric water vapour is the observation of geyser like ice crystals in the TTL over overshooting events which may result in the moistening of the stratosphere. Although such events successfully captured by small scale Cloud-Resolving Models may have a significant impact on stratospheric ozone chemistry and climate, they are currently totally ignored by NWPs, CTMs and CCMs. Several recent balloon and aircraft observations of overshoots and CRM simulations will be shown illustrating the mechanism, as well as observations from a variety of satellites suggesting a significant impact at global scale.

  7. Crystal structure of the eukaryotic ribosome.

    PubMed

    Ben-Shem, Adam; Jenner, Lasse; Yusupova, Gulnara; Yusupov, Marat

    2010-11-26

    Crystal structures of prokaryotic ribosomes have described in detail the universally conserved core of the translation mechanism. However, many facets of the translation process in eukaryotes are not shared with prokaryotes. The crystal structure of the yeast 80S ribosome determined at 4.15 angstrom resolution reveals the higher complexity of eukaryotic ribosomes, which are 40% larger than their bacterial counterparts. Our model shows how eukaryote-specific elements considerably expand the network of interactions within the ribosome and provides insights into eukaryote-specific features of protein synthesis. Our crystals capture the ribosome in the ratcheted state, which is essential for translocation of mRNA and transfer RNA (tRNA), and in which the small ribosomal subunit has rotated with respect to the large subunit. We describe the conformational changes in both ribosomal subunits that are involved in ratcheting and their implications in coordination between the two associated subunits and in mRNA and tRNA translocation. PMID:21109664

  8. Crystal structures and freezing of dipolar fluids.

    PubMed

    Groh, B; Dietrich, S

    2001-02-01

    We investigate the crystal structure of classical systems of spherical particles with an embedded point dipole at T=0. The ferroelectric ground state energy is calculated using generalizations of the Ewald summation technique. Due to the reduced symmetry compared to the nonpolar case the crystals are never strictly cubic. For the Stockmayer (i.e., Lennard-Jones plus dipolar) interaction three phases are found upon increasing the dipole moment: hexagonal, body-centered orthorhombic, and body-centered tetragonal. An even richer phase diagram arises for dipolar soft spheres with a purely repulsive inverse power law potential approximately r(-n). A crossover between qualitatively different sequences of phases occurs near the exponent n=12. The results are applicable to electro- and magnetorheological fluids. In addition to the exact ground state analysis we study freezing of the Stockmayer fluid by density-functional theory. PMID:11308482

  9. Crystal structure of MboIIA methyltransferase.

    SciTech Connect

    Osipiuk, J.; Walsh, M. A.; Joachimiak, A.; Biosciences Division; Univ. of Gdansk; Medical Research Council France

    2003-09-15

    DNA methyltransferases (MTases) are sequence-specific enzymes which transfer a methyl group from S-adenosyl-L-methionine (AdoMet) to the amino group of either cytosine or adenine within a recognized DNA sequence. Methylation of a base in a specific DNA sequence protects DNA from nucleolytic cleavage by restriction enzymes recognizing the same DNA sequence. We have determined at 1.74 {angstrom} resolution the crystal structure of a {beta}-class DNA MTase MboIIA (M {center_dot} MboIIA) from the bacterium Moraxella bovis, the smallest DNA MTase determined to date. M {center_dot} MboIIA methylates the 3' adenine of the pentanucleotide sequence 5'-GAAGA-3'. The protein crystallizes with two molecules in the asymmetric unit which we propose to resemble the dimer when M {center_dot} MboIIA is not bound to DNA. The overall structure of the enzyme closely resembles that of M {center_dot} RsrI. However, the cofactor-binding pocket in M {center_dot} MboIIA forms a closed structure which is in contrast to the open-form structures of other known MTases.

  10. The First Mammalian Aldehyde Oxidase Crystal Structure

    PubMed Central

    Coelho, Catarina; Mahro, Martin; Trinco, Jos; Carvalho, Alexandra T. P.; Ramos, Maria Joo; Terao, Mineko; Garattini, Enrico; Leimkhler, Silke; Romo, Maria Joo

    2012-01-01

    Aldehyde oxidases (AOXs) are homodimeric proteins belonging to the xanthine oxidase family of molybdenum-containing enzymes. Each 150-kDa monomer contains a FAD redox cofactor, two spectroscopically distinct [2Fe-2S] clusters, and a molybdenum cofactor located within the protein active site. AOXs are characterized by broad range substrate specificity, oxidizing different aldehydes and aromatic N-heterocycles. Despite increasing recognition of its role in the metabolism of drugs and xenobiotics, the physiological function of the protein is still largely unknown. We have crystallized and solved the crystal structure of mouse liver aldehyde oxidase 3 to 2.9 ?. This is the first mammalian AOX whose structure has been solved. The structure provides important insights into the protein active center and further evidence on the catalytic differences characterizing AOX and xanthine oxidoreductase. The mouse liver aldehyde oxidase 3 three-dimensional structure combined with kinetic, mutagenesis data, molecular docking, and molecular dynamics studies make a decisive contribution to understand the molecular basis of its rather broad substrate specificity. PMID:23019336

  11. Crystal Structure of the Human Primase*

    PubMed Central

    Baranovskiy, Andrey G.; Zhang, Yinbo; Suwa, Yoshiaki; Babayeva, Nigar D.; Gu, Jianyou; Pavlov, Youri I.; Tahirov, Tahir H.

    2015-01-01

    DNA replication in bacteria and eukaryotes requires the activity of DNA primase, a DNA-dependent RNA polymerase that lays short RNA primers for DNA polymerases. Eukaryotic and archaeal primases are heterodimers consisting of small catalytic and large accessory subunits, both of which are necessary for RNA primer synthesis. Understanding of RNA synthesis priming in eukaryotes is currently limited due to the lack of crystal structures of the full-length primase and its complexes with substrates in initiation and elongation states. Here we report the crystal structure of the full-length human primase, revealing the precise overall organization of the enzyme, the relative positions of its functional domains, and the mode of its interaction with modeled DNA and RNA. The structure indicates that the dramatic conformational changes in primase are necessary to accomplish the initiation and then elongation of RNA synthesis. The presence of a long linker between the N- and C-terminal domains of p58 provides the structural basis for the bulk of enzyme's conformational flexibility. Deletion of most of this linker affected the initiation and elongation steps of the primer synthesis. PMID:25550159

  12. Millimeter wave scattering from ice crystals and their aggregates: Comparing cloud model simulations with X- and Ka-band radar measurements

    NASA Astrophysics Data System (ADS)

    Botta, Giovanni; Aydin, Kultegin; Verlinde, Johannes; Avramov, Alexander E.; Ackerman, Andrew S.; Fridlind, Ann M.; McFarquhar, Greg M.; Wolde, Mengistu

    2011-01-01

    Arctic clouds are often mixed-phase, such that the radiative properties of the clouds are a strong function of the relative amounts of cloud liquid and ice. Modeling studies have shown that the poorly understood ice phase processes are the regulators of the liquid water fraction. However, evaluating the fidelity of the model ice parameterizations has proven to be a difficult task. This study evaluates results of different ice microphysics representations in a cloud resolving model (CRM) using cloud radar measurements. An algorithm is presented to generate realistic ice crystals and their aggregates from which radar backscattering cross sections may be calculated using a generalized solution for a cluster of spheres. The aggregate is composed of a collection of ice crystals, each of which is constructed from a cluster of tiny ice spheres. Each aggregate satisfies the constraints set by the component crystal type and the mass-dimensional relationship used in the cloud resolving model, but is free to adjust its aspect ratio. This model for calculating radar backscattering is compared to two spherical and two spheroidal (bulk model) representations for ice hydrometeors. It was found that a refined model for representing the ice hydrometeors, both pristine crystals and their aggregates, is required in order to obtain good comparisons between the CRM calculations and the radar measurements. The addition of the radar-CRM comparisons to CRM-in situ measurements comparisons allowed conclusions about the appropriateness of different CRM ice microphysics parameterizations.

  13. Radiostratigraphy and age structure of the Greenland Ice Sheet

    PubMed Central

    MacGregor, Joseph A; Fahnestock, Mark A; Catania, Ginny A; Paden, John D; Prasad Gogineni, S; Young, S Keith; Rybarski, Susan C; Mabrey, Alexandria N; Wagman, Benjamin M; Morlighem, Mathieu

    2015-01-01

    Several decades of ice-penetrating radar surveys of the Greenland and Antarctic ice sheets have observed numerous widespread internal reflections. Analysis of this radiostratigraphy has produced valuable insights into ice sheet dynamics and motivates additional mapping of these reflections. Here we present a comprehensive deep radiostratigraphy of the Greenland Ice Sheet from airborne deep ice-penetrating radar data collected over Greenland by The University of Kansas between 1993 and 2013. To map this radiostratigraphy efficiently, we developed new techniques for predicting reflection slope from the phase recorded by coherent radars. When integrated along track, these slope fields predict the radiostratigraphy and simplify semiautomatic reflection tracing. Core-intersecting reflections were dated using synchronized depth-age relationships for six deep ice cores. Additional reflections were dated by matching reflections between transects and by extending reflection-inferred depth-age relationships using the local effective vertical strain rate. The oldest reflections, dating to the Eemian period, are found mostly in the northern part of the ice sheet. Within the onset regions of several fast-flowing outlet glaciers and ice streams, reflections typically do not conform to the bed topography. Disrupted radiostratigraphy is also observed in a region north of the Northeast Greenland Ice Stream that is not presently flowing rapidly. Dated reflections are used to generate a gridded age volume for most of the ice sheet and also to determine the depths of key climate transitions that were not observed directly. This radiostratigraphy provides a new constraint on the dynamics and history of the Greenland Ice Sheet. Key Points Phase information predicts reflection slope and simplifies reflection tracing Reflections can be dated away from ice cores using a simple ice flow model Radiostratigraphy is often disrupted near the onset of fast ice flow PMID:26213664

  14. Crystal Structure of the 30S Ribosomal Subunit from Thermus Thermophilus. Purification, Crystallization and Structure Determination

    SciTech Connect

    Clemons, William M.; Brodersen, Ditlev E.; McCutcheonn, John P.; May, Joanna L.C.; Carter, Andrew P.; Morgan-Warren, Robert J.; Wimberly, Brian T.; Ramakrishnan, Venki

    2009-10-07

    We describe the crystallization and structure determination of the 30 S ribosomal subunit from Thermus thermophilus. Previous reports of crystals that diffracted to 10 {angstrom} resolution were used as a starting point to improve the quality of the diffraction. Eventually, ideas such as the addition of substrates or factors to eliminate conformational heterogeneity proved less important than attention to detail in yielding crystals that diffracted beyond 3 {angstrom} resolution. Despite improvements in technology and methodology in the last decade, the structure determination of the 30 S subunit presented some very challenging technical problems because of the size of the asymmetric unit, crystal variability and sensitivity to radiation damage. Some steps that were useful for determination of the atomic structure were: the use of anomalous scattering from the LIII edges of osmium and lutetium to obtain the necessary phasing signal; the use of tunable, third-generation synchrotron sources to obtain data of reasonable quality at high resolution; collection of derivative data precisely about a mirror plane to preserve small anomalous differences between Bijvoet mates despite extensive radiation damage and multi-crystal scaling; the pre-screening of crystals to ensure quality, isomorphism and the efficient use of scarce third-generation synchrotron time; pre-incubation of crystals in cobalt hexaammine to ensure isomorphism with other derivatives; and finally, the placement of proteins whose structures had been previously solved in isolation, in conjunction with biochemical data on protein-RNA interactions, to map out the architecture of the 30 S subunit prior to the construction of a detailed atomic-resolution model.

  15. Deformation, Ecosystem Structure, and Dynamics of Ice (DESDynI)

    NASA Technical Reports Server (NTRS)

    Donnellan, Andrea; Rosen, Paul; Ranson, Jon; Zebker, Howard

    2008-01-01

    The National Research Council Earth Science Decadal Survey, Earth Science Applications from Space, recommends that DESDynI (Deformation, Ecosystem Structure, and Dynamics of Ice), an integrated L-band InSAR and multibeam Lidar mission, launch in the 2010- 2013 timeframe. The mission will measure surface deformation for solid Earth and cryosphere objectives and vegetation structure for understanding the carbon cycle. InSAR has been used to study surface deformation of the solid Earth and cryosphere and more recently vegetation structure for estimates of biomass and ecosystem function. Lidar directly measures topography and vegetation structure and is used to estimate biomass and detect changes in surface elevation. The goal of DESDynI is to take advantage of the spatial continuity of InSAR and the precision and directness of Lidar. There are several issues related to the design of the DESDynI mission, including combining the two instruments into a single platform, optimizing the coverage and orbit for the two techniques, and carrying out the science modeling to define and maximize the scientific output of the mission.

  16. Crystal structure of the dynein motor domain.

    PubMed

    Carter, Andrew P; Cho, Carol; Jin, Lan; Vale, Ronald D

    2011-03-01

    Dyneins are microtubule-based motor proteins that power ciliary beating, transport intracellular cargos, and help to construct the mitotic spindle. Evolved from ring-shaped hexameric AAA-family adenosine triphosphatases (ATPases), dynein's large size and complexity have posed challenges for understanding its structure and mechanism. Here, we present a 6 angstrom crystal structure of a functional dimer of two ~300-kilodalton motor domains of yeast cytoplasmic dynein. The structure reveals an unusual asymmetric arrangement of ATPase domains in the ring-shaped motor domain, the manner in which the mechanical element interacts with the ATPase ring, and an unexpected interaction between two coiled coils that create a base for the microtubule binding domain. The arrangement of these elements provides clues as to how adenosine triphosphate-driven conformational changes might be transmitted across the motor domain. PMID:21330489

  17. Crystal structure of plant photosystem I

    NASA Astrophysics Data System (ADS)

    Ben-Shem, Adam; Frolow, Felix; Nelson, Nathan

    2003-12-01

    Oxygenic photosynthesis is the principal producer of both oxygen and organic matter on Earth. The conversion of sunlight into chemical energy is driven by two multisubunit membrane protein complexes named photosystem I and II. We determined the crystal structure of the complete photosystem I (PSI) from a higher plant (Pisum sativum var. alaska) to 4.4 resolution. Its intricate structure shows 12 core subunits, 4 different light-harvesting membrane proteins (LHCI) assembled in a half-moon shape on one side of the core, 45 transmembrane helices, 167 chlorophylls, 3 Fe-S clusters and 2 phylloquinones. About 20 chlorophylls are positioned in strategic locations in the cleft between LHCI and the core. This structure provides a framework for exploration not only of energy and electron transfer but also of the evolutionary forces that shaped the photosynthetic apparatus of terrestrial plants after the divergence of chloroplasts from marine cyanobacteria one billion years ago.

  18. The Crystal Structures of Potentially Tautomeric Compounds

    NASA Astrophysics Data System (ADS)

    Furmanova, Nina G.

    1981-08-01

    Data on the structures of potentially proto-, metallo-, and carbono-tropic compounds, obtained mainly by X-ray diffraction, are surveyed. The results of neutron and electron diffraction studies have also been partly used. It is shown that a characteristic feature of all the systems considered is the formation of hydrogen or secondary bonds ensuring the contribution of both possible tautomeric forms to the structure. Systematic consideration of the experimental data leads to the conclusion that there is a close relation between the crystal structure and the dynamic behaviour of the molecules in solution and that secondary and hydrogen bonds play a significant role in the tautomeric transition. The bibliography includes 152 references.

  19. Crystal structure prediction from first principles: The crystal structures of glycine

    NASA Astrophysics Data System (ADS)

    Lund, Albert M.; Pagola, Gabriel I.; Orendt, Anita M.; Ferraro, Marta B.; Facelli, Julio C.

    2015-04-01

    Here we present the results of our unbiased searches of glycine polymorphs obtained using the genetic algorithms search implemented in MGAC, modified genetic algorithm for crystals, coupled with the local optimization and energy evaluation provided by Quantum Espresso. We demonstrate that it is possible to predict the crystal structures of a biomedical molecule using solely first principles calculations. We were able to find all the ambient pressure stable glycine polymorphs, which are found in the same energetic ordering as observed experimentally and the agreement between the experimental and predicted structures is of such accuracy that the two are visually almost indistinguishable.

  20. Portlandite crystal: Bulk, bilayer, and monolayer structures

    NASA Astrophysics Data System (ADS)

    Aierken, Y.; Sahin, H.; Iyikanat, F.; Horzum, S.; Suslu, A.; Chen, B.; Senger, R. T.; Tongay, S.; Peeters, F. M.

    2015-06-01

    Ca(OH)2 crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)2 is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)2 is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)2 are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)2 and identified the high-frequency OH stretching mode A1 g at 3620 cm-1 . In this study, bilayer and monolayer portlandite [Ca(OH)2 ] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.

  1. Crystal structure of a DNA catalyst.

    PubMed

    Ponce-Salvatierra, Almudena; Wawrzyniak-Turek, Katarzyna; Steuerwald, Ulrich; Hbartner, Claudia; Pena, Vladimir

    2016-01-14

    Catalysis in biology is restricted to RNA (ribozymes) and protein enzymes, but synthetic biomolecular catalysts can also be made of DNA (deoxyribozymes) or synthetic genetic polymers. In vitro selection from synthetic random DNA libraries identified DNA catalysts for various chemical reactions beyond RNA backbone cleavage. DNA-catalysed reactions include RNA and DNA ligation in various topologies, hydrolytic cleavage and photorepair of DNA, as well as reactions of peptides and small molecules. In spite of comprehensive biochemical studies of DNA catalysts for two decades, fundamental mechanistic understanding of their function is lacking in the absence of three-dimensional models at atomic resolution. Early attempts to solve the crystal structure of an RNA-cleaving deoxyribozyme resulted in a catalytically irrelevant nucleic acid fold. Here we report the crystal structure of the RNA-ligating deoxyribozyme 9DB1 (ref. 14) at 2.8? resolution. The structure captures the ligation reaction in the post-catalytic state, revealing a compact folding unit stabilized by numerous tertiary interactions, and an unanticipated organization of the catalytic centre. Structure-guided mutagenesis provided insights into the basis for regioselectivity of the ligation reaction and allowed remarkable manipulation of substrate recognition and reaction rate. Moreover, the structure highlights how the specific properties of deoxyribose are reflected in the backbone conformation of the DNA catalyst, in support of its intricate three-dimensional organization. The structural principles underlying the catalytic ability of DNA elucidate differences and similarities in DNA versus RNA catalysts, which is relevant for comprehending the privileged position of folded RNA in the prebiotic world and in current organisms. PMID:26735012

  2. Ice crystal habits from cloud chamber studies obtained by in-line holographic microscopy related to depolarization measurements.

    PubMed

    Amsler, Peter; Stetzer, Olaf; Schnaiter, Martin; Hesse, Evelyn; Benz, Stefan; Moehler, Ottmar; Lohmann, Ulrike

    2009-10-20

    We investigate hydrometeor habits at the AIDA chamber with a newly developed in-line holographic microscope HOLographic Imager for Microscopic Objects (HOLIMO). Sizes and habits of ice crystals and droplets in a mixed-phase cloud experiment are related to relative humidity with respect to ice (RH(ice)), temperature (T), and experiment time. This experiment is initiated with supercooled water drops. As a result, ice crystals within a maximum particle diameter size range of 2 to 118 microm (average size of 19 microm) are detected and 63% of them reveal regular habits. The observed particle habits match those predicted for a given RH(ice) and T. Two different growth modes emerge from this cloud. The first one appears during water injection and reveals mainly optical particle sizes in the range of 5 to 250 microm. The second mode grows to sizes of 5 to 63 microm, just after the particles of the first one fall out. It is found that an increasing aspect ratio chi of maximum length over thickness from 2 to 20 as obtained by HOLIMO corresponds to a decreasing linear depolarization ratio from 0.1 to 0.04, as independently obtained by depolarization measurements. PMID:19844319

  3. Temperature dependent spin structures in Hexaferrite crystal

    NASA Astrophysics Data System (ADS)

    Chao, Y. C.; Lin, J. G.; Chun, S. H.; Kim, K. H.

    2016-01-01

    In this work, the Hexaferrite Ba0.5Sr1.5Zn2Fe12O22 (BSZFO) is studied due to its interesting characteristics of long-wavelength spin structure. Ferromagnetic resonance (FMR) is used to probe the magnetic states of BSZFO single crystal and its temperature dependence behavior is analyzed by decomposing the multiple lines of FMR spectra into various phases. Distinguished phase transition is observed at 110 K for one line, which is assigned to the ferro(ferri)-magnetic transition from non-collinear to collinear spin state.

  4. Elasticity of some mantle crystal structures. II.

    NASA Technical Reports Server (NTRS)

    Wang, H.; Simmons, G.

    1973-01-01

    The single-crystal elastic constants are determined as a function of pressure and temperature for rutile structure germanium dioxide (GeO2). The data are qualitatively similar to those of rutile TiO2 measured by Manghnani (1969). The compressibility in the c direction is less than one-half that in the a direction, the pressure derivative of the shear constant is negative, and the pressure derivative of the bulk modulus has a relatively high value of about 6.2. According to an elastic strain energy theory, the negative shear modulus derivative implies that the kinetic barrier to diffusion decreases with increasing pressure.

  5. Isothermal ice crystallization kinetics in the gas-diffusion layer of a proton-exchange-membrane fuel cell.

    PubMed

    Dursch, T J; Ciontea, M A; Radke, C J; Weber, A Z

    2012-01-17

    Nucleation and growth of ice in the fibrous gas-diffusion layer (GDL) of a proton-exchange membrane fuel cell (PEMFC) are investigated using isothermal differential scanning calorimetry (DSC). Isothermal crystallization rates and pseudo-steady-state nucleation rates are obtained as a function of subcooling from heat-flow and induction-time measurements. Kinetics of ice nucleation and growth are studied at two polytetrafluoroethylene (PTFE) loadings (0 and 10 wt %) in a commercial GDL for temperatures between 240 and 273 K. A nonlinear ice-crystallization rate expression is developed using Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory, in which the heat-transfer-limited growth rate is determined from the moving-boundary Stefan problem. Induction times follow a Poisson distribution and increase upon addition of PTFE, indicating that nucleation occurs more slowly on a hydrophobic fiber than on a hydrophilic fiber. The determined nucleation rates and induction times follow expected trends from classical nucleation theory. A validated rate expression is now available for predicting ice-crystallization kinetics in GDLs. PMID:22133053

  6. Origin and dynamic significance of longitudinal structures ("flow stripes") in the Antarctic Ice Sheet

    NASA Astrophysics Data System (ADS)

    Glasser, N. F.; Jennings, S. J. A.; Hambrey, M. J.; Hubbard, B.

    2015-04-01

    Longitudinal ice-surface structures in the Antarctic Ice Sheet can be traced continuously down-ice for distances of up to 1200 km. A map of the distribution of ~ 3600 of these features, compiled from satellite images, shows that they mirror the location of fast-flowing glaciers and ice streams that are dominated by basal sliding rates above tens of metres per annum and are strongly guided by subglacial topography. Longitudinal ice-surface structures dominate regions of converging flow, where ice flow is subject to non-coaxial strain and simple shear. They can be traced continuously through crevasse fields and through blue-ice areas, indicating that they represent the surface manifestation of a three-dimensional structure, interpreted as foliation. Flow lines are linear and undeformed for all major flow units described here in the Antarctic Ice Sheet except for the Kamb Ice Stream and the Institute and Mller Ice Stream areas, where areas of flow perturbation are evident. Parcels of ice along individual flow paths on the Lambert Glacier, Recovery Glacier, Byrd Glacier and Pine Island Glacier may reside in the glacier system for ~ 2500 to 18 500 years. Although it is unclear how long it takes for these features to form and decay, we infer that the major ice-flow configuration of the ice sheet may have remained largely unchanged for the last few hundred years, and possibly even longer. This conclusion has implications for our understanding of the long-term landscape evolution of Antarctica, including large-scale patterns of glacial erosion and deposition.

  7. The strength anisotropia of sea ice

    SciTech Connect

    Evdokimov, G.N.; Rogachko, S.I.

    1994-12-31

    The hydraulic-engineering structure calculations of sea ice formation force require the sea ice strength data. The strength characteristics values and the types of sea ice formations in view of water depth define the type and the design of future structures in each particular region of supposed construction. The most objective information on the sea ice physical and technical properties can be obtained by field investigations ad the existing methods of their calculations refer to a great number of errors. The accumulated bank of data on studying the sea ice formation strength properties show one that ice as a natural material is of great crystalline structure variety. The level ice fields have a number of particularities. The crystal sizes increase in ice thickness. The crystals consist of fresh-water thin plates 0.5--0.6 mm in thickness oriented by pickle-water interlayers. Difference in thickness of the sea ice cover structure is one of the main causes of the changes strength characteristics layer. Besides that the sea ice strength depends upon the destroying force direction in reference to crystal orientation which characterizes the sea ice anisotropia as a material.

  8. Winter ice processes and pool habitat associated with two types of constructed instream structures

    USGS Publications Warehouse

    Barrineau, C.E.; Hubert, W.A.; Dey, P.D.; Annear, T.C.

    2005-01-01

    There is little information on the winter features of salmonid habitats associated with constructed instream structures to provide guidance when planning habitat improvement projects. We assessed winter habitat features for trout of the genera Oncorhynchus and Salvelinus in pools associated with two types of instream structures constructed on a low-gradient reach of a mountain stream in western Wyoming with a mean wetted width of 6.4 m. Pool habitat was affected by temporal variability in ice formations from fall into winter. As surface ice and snow accumulated with the progression of winter, variation in ice formations was less frequent and winter habitat conditions became more stable. However, groundwater inflow that maintained water temperatures at 0.2-0.6??C in a portion of the study reach appeared to contribute to incomplete surface ice cover and variation in ice formations in pools through most of the winter. Hanging dams and anchor ice dams were the primary ice features that affected winter habitat in pools associated with constructed instream structures. Trout were observed in these pools in the fall but tended to abandon pools with variation in ice formations as winter progressed. The potential impacts of groundwater inflow and winter ice processes on trout habitat in pools associated with instream structures should be considered when planning habitat improvement projects. ?? Copyright by the American Fisheries Society 2005.

  9. Crystal structure of yeast Sco1.

    PubMed

    Abajian, Carnie; Rosenzweig, Amy C

    2006-06-01

    The Sco family of proteins are involved in the assembly of the dinuclear CuA site in cytochrome c oxidase (COX), the terminal enzyme in aerobic respiration. These proteins, which are found in both eukaryotes and prokaryotes, are characterized by a conserved CXXXC sequence motif that binds copper ions and that has also been proposed to perform a thiol:disulfide oxidoreductase function. The crystal structures of Saccharomyces cerevisiae apo Sco1 (apo-ySco1) and Sco1 in the presence of copper ions (Cu-ySco1) were determined to 1.8- and 2.3-A resolutions, respectively. Yeast Sco1 exhibits a thioredoxin-like fold, similar to that observed for human Sco1 and a homolog from Bacillus subtilis. The Cu-ySco1 structure, obtained by soaking apo-ySco1 crystals in copper ions, reveals an unexpected copper-binding site involving Cys181 and Cys216, cysteine residues present in ySco1 but not in other homologs. The conserved CXXXC cysteines, Cys148 and Cys152, can undergo redox chemistry in the crystal. An essential histidine residue, His239, is located on a highly flexible loop, denoted the Sco loop, and can adopt positions proximal to both pairs of cysteines. Interactions between ySco1 and its partner proteins yeast Cox17 and yeast COX2 are likely to occur via complementary electrostatic surfaces. This high-resolution model of a eukaryotic Sco protein provides new insight into Sco copper binding and function. PMID:16570183

  10. Crystal structure of yeast Sco1

    SciTech Connect

    Abajian, Carnie; Rosenzweig, Amy C.

    2010-03-05

    The Sco family of proteins are involved in the assembly of the dinuclear CuA site in cytochrome c oxidase (COX), the terminal enzyme in aerobic respiration. These proteins, which are found in both eukaryotes and prokaryotes, are characterized by a conserved CXXXC sequence motif that binds copper ions and that has also been proposed to perform a thiol:disulfide oxidoreductase function. The crystal structures of Saccharomyces cerevisiae apo Sco1 (apo-ySco1) and Sco1 in the presence of copper ions (Cu-ySco1) were determined to 1.8- and 2.3-{angstrom} resolutions, respectively. Yeast Sco1 exhibits a thioredoxin-like fold, similar to that observed for human Sco1 and a homolog from Bacillus subtilis. The Cu-ySco1 structure, obtained by soaking apo-ySco1 crystals in copper ions, reveals an unexpected copper-binding site involving Cys181 and Cys216, cysteine residues present in ySco1 but not in other homologs. The conserved CXXXC cysteines, Cys148 and Cys152, can undergo redox chemistry in the crystal. An essential histidine residue, His239, is located on a highly flexible loop, denoted the Sco loop, and can adopt positions proximal to both pairs of cysteines. Interactions between ySco1 and its partner proteins yeast Cox17 and yeast COX2 are likely to occur via complementary electrostatic surfaces. This high-resolution model of a eukaryotic Sco protein provides new insight into Sco copper binding and function.

  11. The Crystal Structure of Human Argonaute2

    SciTech Connect

    Schirle, Nicole T.; MacRae, Ian J.

    2012-07-18

    Argonaute proteins form the functional core of the RNA-induced silencing complexes that mediate RNA silencing in eukaryotes. The 2.3 angstrom resolution crystal structure of human Argonaute2 (Ago2) reveals a bilobed molecule with a central cleft for binding guide and target RNAs. Nucleotides 2 to 6 of a heterogeneous mixture of guide RNAs are positioned in an A-form conformation for base pairing with target messenger RNAs. Between nucleotides 6 and 7, there is a kink that may function in microRNA target recognition or release of sliced RNA products. Tandem tryptophan-binding pockets in the PIWI domain define a likely interaction surface for recruitment of glycine-tryptophan-182 (GW182) or other tryptophan-rich cofactors. These results will enable structure-based approaches for harnessing the untapped therapeutic potential of RNA silencing in humans.

  12. Crystal Structure of Human Nicotinamide Riboside Kinase

    SciTech Connect

    Khan,J.; Xiang, S.; Tong, L.

    2007-01-01

    Nicotinamide riboside kinase (NRK) has an important role in the biosynthesis of NAD{sup +} as well as the activation of tiazofurin and other NR analogs for anticancer therapy. NRK belongs to the deoxynucleoside kinase and nucleoside monophosphate (NMP) kinase superfamily, although the degree of sequence conservation is very low. We report here the crystal structures of human NRK1 in a binary complex with the reaction product nicotinamide mononucleotide (NMN) at 1.5 {angstrom} resolution and in a ternary complex with ADP and tiazofurin at 2.7 {angstrom} resolution. The active site is located in a groove between the central parallel {beta} sheet core and the LID and NMP-binding domains. The hydroxyl groups on the ribose of NR are recognized by Asp56 and Arg129, and Asp36 is the general base of the enzyme. Mutation of residues in the active site can abolish the catalytic activity of the enzyme, confirming the structural observations.

  13. Crystal structure of glucokinase regulatory protein.

    PubMed

    Pautsch, Alexander; Stadler, Nadja; Lhle, Adelheid; Rist, Wolfgang; Berg, Adina; Glocker, Lucia; Nar, Herbert; Reinert, Dirk; Lenter, Martin; Heckel, Armin; Schnapp, Gisela; Kauschke, Stefan G

    2013-05-21

    Glucokinase (GK) plays a major role in the regulation of blood glucose homeostasis in both the liver and the pancreas. In the liver, GK is controlled by the GK regulatory protein (GKRP). GKRP in turn is activated by fructose 6-phosphate (F6P) and inactivated by fructose 1-phosphate (F1P). Disrupting the GK-GKRP complex increases the activity of GK in the cytosol and is considered an attractive concept for the regulation of blood glucose. We have determined the crystal structure of GKRP in its inactive F1P-bound form. The binding site for F1P is located deeply buried at a domain interface, and H-D exchange experiments confirmed that F1P and F6P compete for this site. The structure of the inactive GKRP-F1P complex provides a starting point for understanding the mechanism of fructose phosphate-dependent GK regulation at an atomic level. PMID:23621087

  14. Crystal structure of human nicotinamide riboside kinase.

    PubMed

    Khan, Javed A; Xiang, Song; Tong, Liang

    2007-08-01

    Nicotinamide riboside kinase (NRK) has an important role in the biosynthesis of NAD(+) as well as the activation of tiazofurin and other NR analogs for anticancer therapy. NRK belongs to the deoxynucleoside kinase and nucleoside monophosphate (NMP) kinase superfamily, although the degree of sequence conservation is very low. We report here the crystal structures of human NRK1 in a binary complex with the reaction product nicotinamide mononucleotide (NMN) at 1.5 A resolution and in a ternary complex with ADP and tiazofurin at 2.7 A resolution. The active site is located in a groove between the central parallel beta sheet core and the LID and NMP-binding domains. The hydroxyl groups on the ribose of NR are recognized by Asp56 and Arg129, and Asp36 is the general base of the enzyme. Mutation of residues in the active site can abolish the catalytic activity of the enzyme, confirming the structural observations. PMID:17698003

  15. Two-Dimensional Crystallization of Gastric H(+),K(+)-ATPase for Structural Analysis by Electron Crystallography.

    PubMed

    Abe, Kazuhiro

    2016-01-01

    Electron crystallography of two-dimensional (2D) crystals has provided important information on the structural biology of P-type ATPases. Here, I describe the procedure for making 2D crystals of gastric H(+),K(+)-ATPase purified from pig stomach. The 2D crystals are produced by dialyzing detergent-solubilized H(+),K(+)-ATPase mixed with synthetic phospholipids. Removal of the detergent induces the reconstitution of H(+),K(+)-ATPase molecules into the lipid bilayer. In the presence of fluorinated phosphate analogs, or in combination with transporting cations or the specific antagonist SCH28080, H(+),K(+)-ATPase forms crystalline 2D arrays. The molecular conformation and morphology of the 2D crystals vary depending on the crystallizing conditions. Using these 2D crystals, three-dimensional structures of H(+),K(+)-ATPase can be generated by data correction from ice-embedded 2D crystals using cryo-electron microscopy, followed by processing the recorded images using electron crystallography methods. PMID:26695054

  16. Formation of ridges on Europa above crystallizing water bodies inside the ice shell

    NASA Astrophysics Data System (ADS)

    Johnston, Stephanie A.; Montési, Laurent G. J.

    2014-07-01

    Jupiter’s second Galilean satellite, Europa, is a Moon-sized body with an icy shell and global ocean approximately 100 km thick surrounding a rocky interior. Its surface displays extensive tectonic activity in a geologically recent past. Europa’s most ubiquitous surface features, double ridges, have a central trough flanked by two raised edifices. Double ridges can extend hundreds of kilometers and appear genetically related to cracks formed in the Europan ice shell. The origin of the raised flanks has been the center of much debate and many models have been proposed. There are also ridges without a central trough, single ridges. These ridges are far less common than their double ridge counterparts. However, there are locations where along-strike changes in ridge type appear to occur. We explore an elastic model in which the ridges form in response to crystallization of a liquid water intrusion. In our model, liquid water fills tension cracks that open in the Europan crust in response to tidal stress or perhaps overpressure of a subsurface ocean. The crack would be long and essentially continuous, similar to dikes on Earth, explaining the remarkable continuity and lack of segmentation of Europan ridges. The freezing of the water would cause a volume expansion, compressing and buckling the adjacent crust. We find that the geometry of the intruding water body controls the shape of the resulting ridges, with single ridges forming above sill-like intrusions and double ridges above dike-like intrusions. In order to match the ridge heights observed for double ridges we would need approximately 1.5 km2 of water intruded at a shallow depth in the ice shell, potentially over the course of multiple events. Deeper intrusions result in a broader, lower amplitude ridge than shallow intrusions.

  17. The boundary element method for light scattering by ice crystals and its implementation in BEM++

    NASA Astrophysics Data System (ADS)

    Groth, S. P.; Baran, A. J.; Betcke, T.; Havemann, S.; Śmigaj, W.

    2015-12-01

    A number of methods exist for solving the problem of electromagnetic scattering by atmospheric ice crystals. Amongst these methods, only a few are used to generate "benchmark" results in the atmospheric science community. Most notably, the T-matrix method, Discrete Dipole Approximation, and the Finite-Difference Time-Domain method. The Boundary Element Method (BEM), however, has received considerably less attention in this community despite its extensive use and development in other areas of applied mathematics and engineering. Recently the group of Betcke et al. (2015 [1]) at University College London has released a high performance open source boundary element library called BEM++. In this paper, we employ BEM++ to calculate the scattering properties of hexagonal ice columns of fixed orientation, as well as more complicated particles such as hollow columns and bullet-rosettes. The results for hexagonal columns are compared to those obtained using a highly accurate and well-established T-matrix method (Baran et al., 2001 [2]) for a range of different wavelengths and size parameters. It is shown that the results are in excellent agreement and that BEM++ is a fast alternative to the T-matrix method and others for generating benchmark results. However, the large memory requirements of BEM++ cause it to be limited to size parameters ~15 on a standard desktop PC if an accuracy of roughly 1% is required. The main advantages of BEM++ over many other methods are its flexibility to be applied to homogeneous dielectric particles of arbitrarily complex shape, and its open availability. This flexibility is illustrated by the application of BEM++ to scattering by hollow columns with different cavity types, as well as bullet-rosettes with 2-6 branches.

  18. Crystal structure of bacterioferritin from Rhodobacter sphaeroides

    SciTech Connect

    Nam, Ki Hyun; Xu, Yongbin; Piao, Shunfu; Priyadarshi, Amit; Lee, Eun Hye; Kim, Hye-Yeon; Jeon, Young Ho; Ha, Nam-Chul; Hwang, Kwang Yeon

    2010-01-01

    Iron is essential for the survival of organisms, but either excess or deficient levels of iron induce oxidative stress, thereby causing cell damage. As a result, iron regulation is essential for proper cell growth and proliferation in most organisms. Bacterioferritin is a ferritin-like family protein that contains a heme molecule and a ferroxidase site at the di-iron center. This protein plays a primary role in intracellular iron storage for iron homeostasis, as well as in the maintenance of iron in a soluble and non-toxic form. Although several bacterioferritin structures have been determined, no structural studies have successfully elucidated the molecular function of the heme molecule and the ferroxidase center. Here, we report the crystal structure of bacterioferritin from Rhodobacter sphaeroides. This protein exists in a roughly spherical configuration via the assembly of 24 subunits. We describe the oligomeric arrangement, ferroxidase center and heme-binding site based on this structure. The protein contains a single iron-binding configuration in the ferroxidase center, which allows for the release of iron by His130 when the protein is in the intermediate state. The heme molecule in RsBfr is stabilized by shifting of the van der Waals interaction center between the porphyrin of the heme and Trp26. We anticipate that further structural analysis will provide a more complete understanding of the molecular mechanisms of members of the ferritin-like family.

  19. Crystal structure of strontium dinickel iron orthophosphate.

    PubMed

    Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen

    2015-10-01

    The title compound, SrNi2Fe(PO4)3, synthesized by solid-state reaction, crystallizes in an ordered variant of the ?-CrPO4 structure. In the asymmetric unit, two O atoms are in general positions, whereas all others atoms are in special positions of the space group Imma: the Sr cation and one P atom occupy the Wyckoff position 4e (mm2), Fe is on 4b (2/m), Ni and the other P atom are on 8g (2), one O atom is on 8h (m) and the other on 8i (m). The three-dimensional framework of the crystal structure is built up by [PO4] tetra-hedra, [FeO6] octa-hedra and [Ni2O10] dimers of edge-sharing octa-hedra, linked through common corners or edges. This structure comprises two types of layers stacked alternately along the [100] direction. The first layer is formed by edge-sharing octa-hedra ([Ni2O10] dimer) linked to [PO4] tetra-hedra via common edges while the second layer is built up from a strontium row followed by infinite chains of alternating [PO4] tetra-hedra and FeO6 octa-hedra sharing apices. The layers are held together through vertices of [PO4] tetra-hedra and [FeO6] octa-hedra, leading to the appearance of two types of tunnels parallel to the a- and b-axis directions in which the Sr cations are located. Each Sr cation is surrounded by eight O atoms. PMID:26594419

  20. Crystal structures of five 6-mercaptopurine derivatives.

    PubMed

    Gomes, Lígia R; Low, John Nicolson; Magalhães E Silva, Diogo; Cagide, Fernando; Borges, Fernanda

    2016-03-01

    The crystal structures of five 6-mercaptopurine derivatives, viz. 2-[(9-acetyl-9H-purin-6-yl)sulfan-yl]-1-(3-meth-oxy-phen-yl)ethan-1-one (1), C16H14N4O3S, 2-[(9-acetyl-9H-purin-6-yl)sulfan-yl]-1-(4-meth-oxy-phen-yl)ethan-1-one (2), C16H14N4O3S, 2-[(9-acetyl-9H-purin-6-yl)sulfan-yl]-1-(4-chloro-phen-yl)ethan-1-one (3), C15H11ClN4O2S, 2-[(9-acetyl-9H-purin-6-yl)sulfan-yl]-1-(4-bromo-phen-yl)ethan-1-one (4), C15H11BrN4O2S, and 1-(3-meth-oxy-phen-yl)-2-[(9H-purin-6-yl)sulfan-yl]ethan-1-one (5), C14H12N4O2S. Compounds (2), (3) and (4) are isomorphous and accordingly their mol-ecular and supra-molecular structures are similar. An analysis of the dihedral angles between the purine and exocyclic phenyl rings show that the mol-ecules of (1) and (5) are essentially planar but that in the case of the three isomorphous compounds (2), (3) and (4), these rings are twisted by a dihedral angle of approximately 38°. With the exception of (1) all mol-ecules are linked by weak C-H⋯O hydrogen bonds in their crystals. There is π-π stacking in all compounds. A Cambridge Structural Database search revealed the existence of 11 deposited compounds containing the 1-phenyl-2-sulfanyl-ethanone scaffold; of these, only eight have a cyclic ring as substituent, the majority of these being heterocycles. PMID:27006794

  1. Crystal structure of strontium dinickel iron orthophosphate

    PubMed Central

    Ouaatta, Said; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen

    2015-01-01

    The title compound, SrNi2Fe(PO4)3, synthesized by solid-state reaction, crystallizes in an ordered variant of the α-CrPO4 structure. In the asymmetric unit, two O atoms are in general positions, whereas all others atoms are in special positions of the space group Imma: the Sr cation and one P atom occupy the Wyckoff position 4e (mm2), Fe is on 4b (2/m), Ni and the other P atom are on 8g (2), one O atom is on 8h (m) and the other on 8i (m). The three-dimensional framework of the crystal structure is built up by [PO4] tetra­hedra, [FeO6] octa­hedra and [Ni2O10] dimers of edge-sharing octa­hedra, linked through common corners or edges. This structure comprises two types of layers stacked alternately along the [100] direction. The first layer is formed by edge-sharing octa­hedra ([Ni2O10] dimer) linked to [PO4] tetra­hedra via common edges while the second layer is built up from a strontium row followed by infinite chains of alternating [PO4] tetra­hedra and FeO6 octa­hedra sharing apices. The layers are held together through vertices of [PO4] tetra­hedra and [FeO6] octa­hedra, leading to the appearance of two types of tunnels parallel to the a- and b-axis directions in which the Sr cations are located. Each Sr cation is surrounded by eight O atoms. PMID:26594419

  2. Examining Crystal Fabric Develoment in Ice: Cryo EBSD, Deformation Experiments and the Link to En-glacial Reflectivity

    NASA Astrophysics Data System (ADS)

    Vaughan, Matthew; Prior, David; Seidemann, Meike; Gorman, Andrew; Lilly, Kat; Langhorne, Pat; Easingwood, Richard; Golding, Narayana; Durham, Bill

    2014-05-01

    Over the past few years, cryogenic electron back-scatter diffraction (Cryo-EBSD) has been increasingly used to examine micro-structures in both natural and experimentally deformed ice samples on a micron-scale. Experiments that investigate grain size-sensitive behavior require working on fine-grained ice. These samples present a number of experimental challenges. Issues that present particular difficulties include stable mounting of ice samples, transport of mounted samples and producing a planar, frost-free and damage-free surface. Recent work at the new Otago Ice Deformation Lab has led to the development of a number of experimental methods that help overcome these challenges and enable routine EBSD analysis of fine-grained ice. A brief outline of these experimental methods and some EBSD results from variably deformed ice samples will be presented. Shear deformation experiments on polycrystalline ice are being conducted in order to further explore the relationships between deformation, processes of recrystallization, and the development of anisotropic fabrics that lead to en-glacial seismic reflections. Self-contained, refrigerated deformation units fitted with digital controllers and hardware have been designed for unconfined deformation experiments on polycrystalline synthetic ice. Methods of analysis, from time-lapse photography to random-point tracking, are being employed for monitoring strain in real time. Various methods have been explored for monitoring the development of anisotropic fabrics in ice during progressive deformation. Ultra-sonic transducers can be used to monitor wave velocity changes in various orientations in materials under strain. These experiments have been designed with the objective of quantifying the relationship between deformation fabrics and en-glacial seismic reflectivity observed in thick grounded ice sheets.

  3. Crystal structures of the human adiponectin receptors

    PubMed Central

    Tanabe, Hiroaki; Fujii, Yoshifumi; Hosaka, Toshiaki; Motoyama, Kanna; Ikeda, Mariko; Wakiyama, Motoaki; Terada, Takaho; Ohsawa, Noboru; Hato, Masakatsu; Ogasawara, Satoshi; Hino, Tomoya; Murata, Takeshi; Iwata, So; Hirata, Kunio; Kawano, Yoshiaki; Yamamoto, Masaki; Kimura-Someya, Tomomi; Shirouzu, Mikako; Yamauchi, Toshimasa; Kadowaki, Takashi; Yokoyama, Shigeyuki

    2015-01-01

    Adiponectin stimulation of its receptors, AdipoR1 and AdipoR2, increases AMPK and PPAR activities, respectively, thereby contributing to healthy longevity as key anti-diabetic molecules. AdipoR1 and AdipoR2 were predicted to contain seven transmembrane helices with the opposite topology to G protein-coupled receptor (GPCR)s. Here we report the crystal structures of human AdipoR1 and AdipoR2 at 2.9- and 2.4- resolution, respectively, which represent a novel class of receptor structure. The seven-transmembrane helices, conformationally distinct from those of GPCRs, enclose a large cavity where three conserved histidine residues coordinate a zinc ion. The zinc-binding structure may play a role in the adiponectin-stimulated AMPK phosphorylation and UCP2 upregulation. Adiponectin may broadly interact with the extracellular face, rather than the C-terminal flexible tail, of the receptors. The present information will facilitate the understanding of novel structure-function relationships and the development and optimization of AdipoR agonists for the treatment of obesity-related diseases, such as type 2 diabetes. PMID:25855295

  4. Crystal structures of the human adiponectin receptors.

    PubMed

    Tanabe, Hiroaki; Fujii, Yoshifumi; Okada-Iwabu, Miki; Iwabu, Masato; Nakamura, Yoshihiro; Hosaka, Toshiaki; Motoyama, Kanna; Ikeda, Mariko; Wakiyama, Motoaki; Terada, Takaho; Ohsawa, Noboru; Hato, Masakatsu; Ogasawara, Satoshi; Hino, Tomoya; Murata, Takeshi; Iwata, So; Hirata, Kunio; Kawano, Yoshiaki; Yamamoto, Masaki; Kimura-Someya, Tomomi; Shirouzu, Mikako; Yamauchi, Toshimasa; Kadowaki, Takashi; Yokoyama, Shigeyuki

    2015-04-16

    Adiponectin stimulation of its receptors, AdipoR1 and AdipoR2, increases the activities of 5'AMP-activated protein kinase (AMPK) and peroxisome proliferator-activated receptor (PPAR), respectively, thereby contributing to healthy longevity as key anti-diabetic molecules. AdipoR1 and AdipoR2 were predicted to contain seven transmembrane helices with the opposite topology to G-protein-coupled receptors. Here we report the crystal structures of human AdipoR1 and AdipoR2 at 2.9 and 2.4 resolution, respectively, which represent a novel class of receptor structure. The seven-transmembrane helices, conformationally distinct from those of G-protein-coupled receptors, enclose a large cavity where three conserved histidine residues coordinate a zinc ion. The zinc-binding structure may have a role in the adiponectin-stimulated AMPK phosphorylation and UCP2 upregulation. Adiponectin may broadly interact with the extracellular face, rather thanthe carboxy-terminal tail, of the receptors. The present information will facilitate the understanding of novel structure-function relationships and the development and optimization of AdipoR agonists for the treatment of obesity-related diseases, such as type 2 diabetes. PMID:25855295

  5. Crystal structures of respiratory pathogen neuraminidases

    PubMed Central

    Hsiao, Yu-Shan; Parker, Dane; Ratner, Adam J.; Prince, Alice; Tong, Liang

    2013-01-01

    Currently there is pressing need to develop novel therapeutic agents for the treatment of infections by the human respiratory pathogens Pseudomonas aeruginosa and Streptococcus pneumoniae. The neuraminidases of these pathogens are important for host colonization in animal models of infection and are attractive targets for drug discovery. To aid in the development of inhibitors against these neuraminidases, we have determined the crystal structures of the P. aeruginosa enzyme NanPs and S. pneumoniae enzyme NanA at 1.6 and 1.7 Å resolution, respectively. In situ proteolysis with trypsin was essential for the crystallization of our recombinant NanA. The active site regions of the two enzymes are strikingly different. NanA contains a deep pocket that is similar to that in canonical neuraminidases, while the NanPs active site is much more open. The comparative studies suggest that NanPs may not be a classical neuraminidase, and may have distinct natural substrates and physiological functions. This work represents an important step in the development of drugs to prevent respiratory tract colonization by these two pathogens. PMID:19284989

  6. Crystal Structures of Respiratory Pathogen Neuraminidases

    SciTech Connect

    Hsiao, Y.; Parker, D; Ratner, A; Prince, A; Tong, L

    2009-01-01

    Currently there is pressing need to develop novel therapeutic agents for the treatment of infections by the human respiratory pathogens Pseudomonas aeruginosa and Streptococcus pneumoniae. The neuraminidases of these pathogens are important for host colonization in animal models of infection and are attractive targets for drug discovery. To aid in the development of inhibitors against these neuraminidases, we have determined the crystal structures of the P. aeruginosa enzyme NanPs and S. pneumoniae enzyme NanA at 1.6 and 1.7 {angstrom} resolution, respectively. In situ proteolysis with trypsin was essential for the crystallization of our recombinant NanA. The active site regions of the two enzymes are strikingly different. NanA contains a deep pocket that is similar to that in canonical neuraminidases, while the NanPs active site is much more open. The comparative studies suggest that NanPs may not be a classical neuraminidase, and may have distinct natural substrates and physiological functions. This work represents an important step in the development of drugs to prevent respiratory tract colonization by these two pathogens.

  7. Crystal structure of natural phaeosphaeride A

    PubMed Central

    Abzianidze, Victoria V.; Poluektova, Ekaterina V.; Bolshakova, Ksenia P.; Panikorovskii, Taras L.; Bogachenkov, Alexander S.; Berestetskiy, Alexander O.

    2015-01-01

    The asymmetric unit of the title compound, C15H23NO5, contains two independent mol­ecules. Phaeosphaeride A contains two primary sections, an alkyl chain consisting of five C atoms and a cyclic system consisting of fused five- and six-membered rings with attached substituents. In the crystal, the mol­ecules form layered structures. Nearly planar sheets, parallel to the (001) plane, form bilayers of two-dimensional hydrogen-bonded networks with the hy­droxy groups located on the inter­ior of the bilayer sheets. The network is constructed primarily of four O—H⋯O hydrogen bonds, which form a zigzag pattern in the (001) plane. The butyl chains inter­digitate with the butyl chains on adjacent sheets. The crystal was twinned by a twofold rotation about the c axis, with refined major–minor occupancy fractions of 0.718 (6):0.282 (6). PMID:26396831

  8. New insight into icing and de-icing properties of hydrophobic and hydrophilic structured surfaces based on core-shell particles.

    PubMed

    Chanda, Jagannath; Ionov, Leonid; Kirillova, Alina; Synytska, Alla

    2015-12-21

    Icing is an important problem, which often leads to emergency situations in northern countries. The reduction of icing requires a detailed understanding of this process. In this work, we report on a systematic investigation of the effects of geometry and chemical properties of surfaces on the formation of an ice layer, its properties, and thawing. We compare in detail icing and ice thawing on flat and rough hydrophilic and hydrophobic surfaces. We also show advantages and disadvantages of the surfaces of each kind. We demonstrate that water condenses in a liquid form, leading to the formation of a thin continuous water layer on a hydrophilic surface. Meanwhile, separated rounded water droplets are formed on hydrophobic surfaces. As a result of slower heat exchange, the freezing of rounded water droplets on a hydrophobic surface occurs later than the freezing of the continuous water layer on a hydrophilic one. Moreover, growth of ice on hydrophobic surfaces is slower than on the hydrophilic ones, because ice grows due to the condensation of water vapor on already formed ice crystals, and not due to the condensation on the polymer surface. Rough hydrophobic surfaces also demonstrate a very low ice adhesion value, which is because of the reduced contact area with ice. The main disadvantage of hydrophobic and superhydrophobic surfaces is the pinning of water droplets on them after thawing. Flat hydrophilic poly(ethylene glycol)-modified surfaces also exhibit very low ice adhesion, which is due to the very low freezing point of the water-poly(ethylene glycol) mixtures. Water easily leaves from flat hydrophilic poly(ethylene glycol)-modified surfaces, and they quickly become dry. However, the ice growth rate on poly(ethylene glycol)-modified hydrophilic surfaces is the highest. These results indicate that neither purely (super)hydrophobic polymeric surfaces, nor "antifreeze" hydrophilic ones provide an ideal solution to the problem of icing. PMID:26411650

  9. Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site.

    PubMed

    Middleton, Adam J; Marshall, Christopher B; Faucher, Frédérick; Bar-Dolev, Maya; Braslavsky, Ido; Campbell, Robert L; Walker, Virginia K; Davies, Peter L

    2012-03-01

    The grass Lolium perenne produces an ice-binding protein (LpIBP) that helps this perennial tolerate freezing by inhibiting the recrystallization of ice. Ice-binding proteins (IBPs) are also produced by freeze-avoiding organisms to halt the growth of ice and are better known as antifreeze proteins (AFPs). To examine the structural basis for the different roles of these two IBP types, we have solved the first crystal structure of a plant IBP. The 118-residue LpIBP folds as a novel left-handed beta-roll with eight 14- or 15-residue coils and is stabilized by a small hydrophobic core and two internal Asn ladders. The ice-binding site (IBS) is formed by a flat beta-sheet on one surface of the beta-roll. We show that LpIBP binds to both the basal and primary-prism planes of ice, which is the hallmark of hyperactive AFPs. However, the antifreeze activity of LpIBP is less than 10% of that measured for those hyperactive AFPs with convergently evolved beta-solenoid structures. Whereas these hyperactive AFPs have two rows of aligned Thr residues on their IBS, the equivalent arrays in LpIBP are populated by a mixture of Thr, Ser and Val with several side-chain conformations. Substitution of Ser or Val for Thr on the IBS of a hyperactive AFP reduced its antifreeze activity. LpIBP may have evolved an IBS that has low antifreeze activity to avoid damage from rapid ice growth that occurs when temperatures exceed the capacity of AFPs to block ice growth while retaining the ability to inhibit ice recrystallization. PMID:22306740

  10. How Does a Raindrop Grow?: Precipitation in natural clouds may develop from ice crystals or from large hygroscopic aerosols.

    PubMed

    Braham, R R

    1959-01-16

    On the basis of presently available data, combined with present-day knowledge of the physics and chemistry of cloud particle development, it is possible to make the following generalizations about the mode of precipitation in natural clouds. 1) The all-water mechanism begins to operate as soon as a parcel of cloud air is formed and continues to operate throughout the life of the cloud. The ice-crystal mechanism, on the other hand, can begin to operate only after the top of the cloud has reached levels where ice nuclei can be effective (about -15 degrees C). Some clouds never reach this height; any precipitation from them must be through the all-water mechanism. In cold climates and at high levels in the atmosphere, the cloud bases may be very close to this critical temperature. In the tropics, approximately 25,000 feet separate the bases of low clouds from the natural ice level. 2) The number of large hygroscopic nuclei in maritime air over tropical oceans is entirely adequate to rain-out any cloud with a base below about 10,000 feet, provided the cloud duration and cloud depth is sufficient for the precipitation process to operate. Extensive trajectories over land will decrease the number of sea-salt particles, both because of sedimentation and removal in rain. Measurements show an order-of-magnitude decrease in the number of large particles as maritime air moves from the Gulf of Mexico to the vicinity of St. Louis, during the summer months. Measurements in Arizona and New Mexico show even smaller chloride concentrations, presumably because of the long overland trajectories required in reaching these areas. The maritime particles lost in overland trajectories apparently are more than replaced by particles of land origin. The latter are usually of mixed composition and are less favorable for the formation of outsized solution droplets. 3) Ice nuclei, required for the formation of ice crystals and for droplet freezing, are rather rare at temperatures higher than about -10 degrees C. This, of course, accounts for the fact that natural clouds undergo extensive undercooling. Because of the scarcity of suitable nuclei, precipitation through the ice phase usually is not found in clouds warmer than about -15 degrees to -20 degrees C. Natural cirrus clouds might provide ice nuclei for precipitation at somewhat higher temperatures, but this possibility has not been extensively studied. 4) Precipitation in tropical clouds invariably first develops through the all-water mechanism; points discussed in paragraphs 1, 2, and 3 above all work toward this end. Tropical clouds which reach to heights above about 25,000 feet also develop precipitation through snow pellets. The data for mid-latitude clouds are conflicting. Some measurements suggest that summer clouds in the central United States and in the semiarid Southwest develop rain largely through the all-water process; existing theories support such a suggestion. However, flight measurements indicate that there is considerably more ice and snow in the clouds than can be accounted for by present theory; as a consequence, one must be careful in ruling out the ice mechanism in these areas. It appears to me, however, that the ice particles in these clouds are best accounted for through the hypothesis of freezing of drops which have grown to fairly large size through diffusion of vapor. Thus, the ice would be only incidental to the precipitation development. Winter clouds in the central United States and almost all of the clouds of northern United States and Canada appear to precipitate largely through the ice-crystal mechanism. The relatively cold cloud bases and the continental sources of air masses in these regions appear to retard the warm-rain mechanism to the point where the ice mechanism dominates. But here again, a great deal of research must be completed before a firm conclusion can be drawn (18). PMID:17745322

  11. Spatial and temporal variations in the age structure of Arctic sea ice

    USGS Publications Warehouse

    Belchansky, G.I.; Douglas, D.C.; Platonov, N.G.

    2005-01-01

    Spatial and temporal variations in the age structure of Arctic sea ice are investigated using a new reverse chronology algorithm that tracks ice-covered pixels to their location and date of origin based on ice motion and concentration data. The Beaufort Gyre tends to harbor the oldest (>10 years old) sea ice in the western Arctic while direct ice advection pathways toward the Transpolar Drift Stream maintain relatively young (10 years old (10+ year age class) were observed during 1989-2003. Since the mid-1990s, losses to the 10+ year age class lacked compensation by recruitment due to a prior depletion of all mature (6-10 year) age classes. Survival of the 1994 and 1996-1998 sea ice generations reestablished most mature age classes, and thereby the potential to increase extent of the 10+ year age class during the mid-2000s.

  12. Ikaite crystals in melting sea ice - implications for pCO2 and pH levels in Arctic surface waters

    NASA Astrophysics Data System (ADS)

    Rysgaard, S.; Glud, R. N.; Lennert, K.; Cooper, M.; Halden, N.; Leakey, R. J. G.; Hawthorne, F. C.; Barber, D.

    2012-08-01

    A major issue of Arctic marine science is to understand whether the Arctic Ocean is, or will be, a source or sink for air-sea CO2 exchange. This has been complicated by the recent discoveries of ikaite (a polymorph of CaCO36H2O) in Arctic and Antarctic sea ice, which indicate that multiple chemical transformations occur in sea ice with a possible effect on CO2 and pH conditions in surface waters. Here, we report on biogeochemical conditions, microscopic examinations and x-ray diffraction analysis of single crystals from a melting 1.7 km2 (0.5-1 m thick) drifting ice floe in the Fram Strait during summer. Our findings show that ikaite crystals are present throughout the sea ice but with larger crystals appearing in the upper ice layers. Ikaite crystals placed at elevated temperatures disintegrated into smaller crystallites and dissolved. During our field campaign in late June, melt reduced the ice floe thickness by 0.2 m per week and resulted in an estimated 3.8 ppm decrease of pCO2 in the ocean surface mixed layer. This corresponds to an air-sea CO2 uptake of 10.6 mmol m-2 sea ice d-1 or to 3.3 ton km-2 ice floe week-1. This is markedly higher than the estimated primary production within the ice floe of 0.3-1.3 mmol m-2 sea ice d-1. Finally, the presence of ikaite in sea ice and the dissolution of the mineral during melting of the sea ice and mixing of the melt water into the surface oceanic mixed layer accounted for half of the estimated pCO2 uptake.

  13. Meth (Crank, Ice) Facts

    MedlinePLUS

    ... Crank, Ice) Facts Meth (Crank, Ice) Facts Listen Methamphetamine—meth for short—is a white, bitter powder. ... names for meth are: Crank Ice Crystal Glass Chalk In This Section Signs of Meth Use and ...

  14. Structural Analysis of the Redesigned Ice/Frost Ramp Bracket

    NASA Technical Reports Server (NTRS)

    Phillips, D. R.; Dawicke, D. S.; Gentz, S. J.; Roberts, P. W.; Raju, I. S.

    2007-01-01

    This paper describes the interim structural analysis of a redesigned Ice/Frost Ramp bracket for the Space Shuttle External Tank (ET). The proposed redesigned bracket consists of mounts for attachment to the ET wall, supports for the electronic/instrument cables and propellant repressurization lines that run along the ET, an upper plate, a lower plate, and complex bolted connections. The eight nominal bolted connections are considered critical in the summarized structural analysis. Each bolted connection contains a bolt, a nut, four washers, and a non-metallic spacer and block that are designed for thermal insulation. A three-dimensional (3D) finite element model of the bracket is developed using solid 10-node tetrahedral elements. The loading provided by the ET Project is used in the analysis. Because of the complexities associated with accurately modeling the bolted connections in the bracket, the analysis is performed using a global/local analysis procedure. The finite element analysis of the bracket identifies one of the eight bolted connections as having high stress concentrations. A local area of the bracket surrounding this bolted connection is extracted from the global model and used as a local model. Within the local model, the various components of the bolted connection are refined, and contact is introduced along the appropriate interfaces determined by the analysts. The deformations from the global model are applied as boundary conditions to the local model. The results from the global/local analysis show that while the stresses in the bolts are well within yield, the spacers fail due to compression. The primary objective of the interim structural analysis is to show concept viability for static thermal testing. The proposed design concept would undergo continued design optimization to address the identified analytical assumptions and concept shortcomings, assuming successful thermal testing.

  15. Crystal structure of ruthenocenecarbonitrile

    PubMed Central

    Strehler, Frank; Korb, Marcus; Lang, Heinrich

    2015-01-01

    The molecular structure of ruthenocenecarbonitrile, [Ru(?5-C5H4CN)(?5-C5H5)], exhibits point group symmetry m, with the mirror plane bisecting the molecule through the CN substituent. The RuII atom is slightly shifted from the ?5-C5H4 centroid towards the CN substituent. In the crystal, molecules are arranged in columns parallel to [100]. One-dimensional intermolecular ?? interactions [3.363?(3)?] between the CN carbon atom and one carbon of the cyclopentadienyl ring of the overlaying molecule are present. PMID:26029400

  16. Crystal structure of morpholin-4-ium cinnamate

    PubMed Central

    Smith, Graham

    2015-01-01

    In the anhydrous salt formed from the reaction of morpholine with cinnamic acid, C4H10NO+C9H7O2 ?, the acid side chain in the trans-cinnamate anion is significantly rotated out of the benzene plane [CCC C torsion angle = 158.54?(17)]. In the crystal, one of the the aminium H atoms is involved in an asymmetric three-centre cationanion NH?(O,O?) R 1 2(4) hydrogen-bonding interaction with the two carboxylate O-atom acceptors of the anion. The second aminium-H atom forms an inter-species NH?Ocarboxylate hydrogen bond. The result of the hydrogen bonding is the formation of a chain structure extending along [100]. Chains are linked by CH?O interactions, forming a supramolecular layer parallel to (01-1). PMID:26594560

  17. Exploring structural phase transitions of ion crystals.

    PubMed

    Yan, L L; Wan, W; Chen, L; Zhou, F; Gong, S J; Tong, X; Feng, M

    2016-01-01

    Phase transitions have been a research focus in many-body physics over past decades. Cold ions, under strong Coulomb repulsion, provide a repealing paradigm of exploring phase transitions in stable confinement by electromagnetic field. We demonstrate various conformations of up to sixteen laser-cooled (40)Ca(+) ion crystals in a home-built surface-electrode trap, where besides the usually mentioned structural phase transition from the linear to the zigzag, two additional phase transitions to more complicated two-dimensional configurations are identified. The experimental observation agrees well with the numerical simulation. Heating due to micromotion of the ions is analysed by comparison of the numerical simulation with the experimental observation. Our investigation implies very rich and complicated many-body behaviour in the trapped-ion systems and provides effective mechanism for further exploring quantum phase transitions and quantum information processing with ultracold trapped ions. PMID:26865229

  18. Crystal structure of oligoacenes under high pressure

    SciTech Connect

    Oehzelt, M.; Aichholzer, A.; Resel, R.; Heimel, G.; Venuti, E.; Della Valle, R. G.

    2006-09-01

    We report crystal structures of anthracene, tetracene, and pentacene under pressure. Energy dispersive x-ray diffraction experiments up to 9 GPa were performed. Quasiharmonic lattice dynamics calculations are compared to the experimental results and show excellent agreement. The results are discussed with particular emphasis on the pressure dependence of the unit cell dimensions and the rearrangement of the molecules. The high pressure data also allow an analysis of the equation of state of these substances as a function of molecular length. We report the bulk modulus of tetracene and pentacene (B{sub 0}=9.0 and 9.6 GPa, respectively) and its pressure derivative (B{sub 0}{sup '}=7.9 and 6.4, respectively). We find that the unit-cell volume and bulk modulus at ambient pressure follow a linear relationship with the molecular length.

  19. Crystal structure of morpholin-4-ium cinnamate.

    PubMed

    Smith, Graham

    2015-11-01

    In the anhydrous salt formed from the reaction of morpholine with cinnamic acid, C4H10NO(+)C9H7O2 (-), the acid side chain in the trans-cinnamate anion is significantly rotated out of the benzene plane [C-C-C- C torsion angle = 158.54?(17)]. In the crystal, one of the the aminium H atoms is involved in an asymmetric three-centre cation-anion N-H?(O,O') R 1 (2)(4) hydrogen-bonding inter-action with the two carboxyl-ate O-atom acceptors of the anion. The second aminium-H atom forms an inter-species N-H?Ocarboxyl-ate hydrogen bond. The result of the hydrogen bonding is the formation of a chain structure extending along [100]. Chains are linked by C-H?O inter-actions, forming a supra-molecular layer parallel to (01-1). PMID:26594560

  20. Crystal structure of betulinic acid methanol monosolvate.

    PubMed

    Tang, Wei; Chen, Neng-Hua; Li, Guo-Qiang; Wang, Guo-Cai; Li, Yao-Lan

    2014-12-01

    The title compound [systematic name: 3β-hy-droxy-lup-20(29)-en-28-oic acid methanol monosolvate], C30H48O3·CH3OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type penta-cyclic triterpenoid, which was isolated from the traditional Chinese medicinal plant Syzygium jambos (L.) Alston. The dihedral angle between the planes of the carb-oxy-lic acid group and the olefinic group is 12.17 (18)°. The A/B, B/C, C/D and D/E ring junctions are all trans-fused. In the crystal, O-H⋯O hydrogen bonds involving the hy-droxy and carb-oxy-lic acid groups and the methanol solvent mol-ecule give rise to a two-dimensional network structure lying parallel to (001). PMID:25553022

  1. Exploring structural phase transitions of ion crystals

    PubMed Central

    Yan, L. L.; Wan, W.; Chen, L.; Zhou, F.; Gong, S. J.; Tong, X.; Feng, M.

    2016-01-01

    Phase transitions have been a research focus in many-body physics over past decades. Cold ions, under strong Coulomb repulsion, provide a repealing paradigm of exploring phase transitions in stable confinement by electromagnetic field. We demonstrate various conformations of up to sixteen laser-cooled 40Ca+ ion crystals in a home-built surface-electrode trap, where besides the usually mentioned structural phase transition from the linear to the zigzag, two additional phase transitions to more complicated two-dimensional configurations are identified. The experimental observation agrees well with the numerical simulation. Heating due to micromotion of the ions is analysed by comparison of the numerical simulation with the experimental observation. Our investigation implies very rich and complicated many-body behaviour in the trapped-ion systems and provides effective mechanism for further exploring quantum phase transitions and quantum information processing with ultracold trapped ions. PMID:26865229

  2. Crystal structure of a snake venom cardiotoxin

    SciTech Connect

    Rees, B.; Samama, J.P.; Thierry, J.C.; Gilibert, M.; Fischer, J.; Schweitz, H.; Lazdunski, M.; Moras, D.

    1987-05-01

    Cardiotoxin V/sup II/4 from Naja mossambica crystallizes in space group P6/sub 1/ (a = b = 73.9 A; c = 59.0 A) with two molecules of toxin (molecular mass = 6715 Da) in the asymmetric unit. The structure was solved by using a combination of multiple isomorphous replacement and density modification methods. Model building and least-squares refinement led to an agreement factor of 27% for a data set to 3-A resolution prior to any inclusion of solvent molecules. The topology of the molecule is similar to that found in short and long snake neurotoxins, which block the nicotinic acetylcholine receptor. Major differences occur in the conformation of the central loop, resulting in a change in the concavity of the molecule. Hydrophobic residues are clustered in two distinct areas. The existence of stable dimeric entities in the crystalline state, with the formation of a six-stranded antiparallel ..beta.. sheet, may be functionally relevant.

  3. Layers of quasi-horizontally oriented ice crystals in cirrus clouds observed by a two-wavelength polarization lidar.

    PubMed

    Borovoi, Anatoli; Balin, Yurii; Kokhanenko, Grigorii; Penner, Iogannes; Konoshonkin, Alexander; Kustova, Natalia

    2014-10-01

    Layers of quasi-horizontally oriented ice crystals in cirrus clouds are observed by a two-wavelength polarization lidar. These layers of thickness of several hundred meters are identified by three attributes: the backscatter reveals a sharp ridge while the depolarization ratio and color ratio become deep minima. These attributes have been justified by theoretical calculations of these quantities within the framework of the physical-optics approximation. PMID:25322032

  4. Ikaite crystals in melting sea ice - implications for pCO2 and pH levels in Arctic surface waters

    NASA Astrophysics Data System (ADS)

    Rysgaard, S.; Glud, R. N.; Lennert, K.; Cooper, M.; Halden, N.; Leakey, R. J. G.; Hawthorne, F. C.; Barber, D.

    2012-03-01

    A major issue of Arctic marine science is to understand whether the Arctic Ocean is, or will be, a source or sink for air-sea CO2 exchange. This has been complicated by the recent discoveries of ikaite (CaCO36H2O) in Arctic and Antarctic sea ice, which indicate that multiple chemical transformations occur in sea ice with a possible effect on CO2 and pH conditions in surface waters. Here we report on biogeochemical conditions, microscopic examinations and x-ray diffraction analysis of single crystals from an actively melting 1.7 km2 (0.5-1 m thick) drifting ice floe in the Fram Strait during summer. Our findings show that ikaite crystals are present throughout the sea ice but with larger crystals appearing in the upper ice layers. Ikaite crystals placed at elevated temperatures gradually disintegrated into smaller crystallites and dissolved. During our field campaign in late June, melt reduced the ice flow thickness by ca. 0.2 m per week and resulted in an estimated 1.6 ppm decrease of pCO2 in the ocean surface mixed layer. This corresponds to an air-sea CO2 uptake of 11 mmol m-2 sea ice d-1 or to 3.5 ton km-2 ice floe week-1.

  5. Some Lower Valence Vanadium Fluorides: Their Crystal Distortions, Domain Structures, Modulated Structures, Ferrimagnetism, and Composition Dependence.

    ERIC Educational Resources Information Center

    Hong, Y. S.; And Others

    1980-01-01

    Describes some contemporary concepts unique to the structure of advanced solids, i.e., their crystal distortions, domain structures, modulated structures, ferrimagnetism, and composition dependence. (Author/CS)

  6. Crystal structure of human GDF11.

    PubMed

    Padyana, Anil K; Vaidialingam, Bhamini; Hayes, David B; Gupta, Priyanka; Franti, Michael; Farrow, Neil A

    2016-03-01

    Members of the TGF-? family of proteins are believed to play critical roles in cellular signaling processes such as those involved in muscle differentiation. The extent to which individual family members have been characterized and linked to biological function varies greatly. The role of myostatin, also known as growth differentiation factor 8 (GDF8), as an inhibitor of muscle differentiation is well understood through genetic linkages. In contrast, the role of growth differentiation factor 11 (GDF11) is much less well understood. In humans, the mature forms of GDF11 and myostatin are over 94% identical. In order to understand the role that the small differences in sequence may play in the differential signaling of these molecules, the crystal structure of GDF11 was determined to a resolution of 1.50?. A comparison of the GDF11 structure with those of other family members reveals that the canonical TGF-? domain fold is conserved. A detailed structural comparison of GDF11 and myostatin shows that several of the differences between these proteins are likely to be localized at interfaces that are critical for the interaction with downstream receptors and inhibitors. PMID:26919518

  7. The crystal structure of a nonstoichiometric nasicon

    SciTech Connect

    Rudolf, F.; Clearfield, A.; Jorgensen, J.D.; Subramanian, M.A.

    1985-06-01

    The crystal structure of a nonstoichiometric NASICON prepared from a hydrothermally synthesized precursor phase was solved by means of Xray powder and neutron powder diffraction methods. The NASICON phase is monoclinic with unit cell parameters, from Rietveld refinement of the neutron data, of a = 15.6209(8), b = 9.0326(5), c = 9.2172(5)A, ..beta.. = 123.67(1)A, V = 1082.5A/sup 3/. The space group is C2/c with Z = 4. The structure is essentially that proposed earlier by Hong, but the nonstoichiometry results from replacement of part of the Zr/sup 4 +/ by Na/sup +/. Refinement of site occupancies coupled with the requirement of overall charge balance yields the formula Na /sub 2.88/ (Na /sub 0.32/ Zr /sub 1.68/ )Si /sub 1.84/ P /sub 1.16/ O /sub 11.54/ which also agrees well with analytical data. Only 20% of the Na1 sites are occupied, but 80% of the Na3 sites are filled. This structure provides a framework from which to rationalize the many reports in the literature that NASICON can only be prepared with difficulty by high temperature solid state reactions.

  8. Water structure in cubic insulin crystals.

    PubMed Central

    Badger, J; Caspar, D L

    1991-01-01

    The electron density distribution of the solvent in the cubic insulin crystal structure, which occupies 65% of the volume, has been mapped from 1.7-A resolution diffraction data by an iterative difference Fourier method, using the previously determined protein structure as the refinement restraint. Starting with phases from the protein and a flat solvent model, the difference map calculated from the data was added outside the protein envelope, and the modified map was then used to recalculate phases for the iterative refinement. Tests of the method with model data, with the experimental data and a variant protein model, and by carrying out a partial refinement of the solvent map demonstrate that the refinement algorithm produces reliable values for the solvent density within the noise level of the data. Fluctuations in density are observed throughout the solvent space, demonstrating that nonrandom arrangements of the water molecules extend several layers from the well-ordered hydration shell in contact with the protein surface. Such ordering may account for the hydration force opposing close approach of hydrophilic surfaces and other long-range water-dependent interactions in living structures. Images PMID:1988957

  9. Crystal Field Disorder in the Quantum Spin Ice Ground State of Tb2Sn2 xTixO7

    SciTech Connect

    Gaulin, Bruce D.; Zhang, J.; Dahlberg, M. L.; Matthews, Maria J.; Bert, F.; Kermarrec, E.; Fritsch, Katharina; Granroth, Garrett E; Jiramongkolchai, P.; Amato, A.; Baines, C.; Cava, R. J.; Mendels, P.; Schiffer, P

    2015-01-01

    Spin ice physics marries that of hydrogen disorder in water ice, first discussed almost 60 years ago by Pauling, and that of low temperature magnetism on certain networks of connected tetrahedra. Recently the classical spin ice mag- nets Ho2Ti2O7 and Dy2Ti2O7 have shown an emergent artificial magneto- statics , which manifests itself as Coulombic spin correlations and excitations behaving as diffusive magnetic monopoles. The related pyrochlore magnet, Tb2Ti2O7, has been proposed as a quantum variant of spin ice, stabilized by 1 virtual excitations between the crystal field (CF) ground state doublet appro- priate to Tb3+, and its low lying excited state doublet. Isostructural Tb2Sn2O7 displays soft spin ice order, and its Tb3+ ground and excited CF eigenstates are known to differ relative to those of Tb2Ti2O7. We present a comprehensive study of Tb2Sn2 xTixO7 showing a novel, dynamic spin liquid state for all x other than the end members (0, 2). This state is the result of disorder in the low lying Tb3+ CF environments which de-stabilizes the mechanism by which quantum fluctuations contribute to ground state selection in Tb2Sn2 xTixO7.

  10. Crystal Structure of Homo Sapiens Kynureninase

    PubMed Central

    Lima, Santiago; Kristoforov, Roman; Momany, Cory; Phillips, Robert S.

    2008-01-01

    Kynureninase is a member of a large family of catalytically diverse but structurally homologous pyridoxal-5?-phosphate dependent enzymes known as the aspartate aminotransferase superfamily or ?-family. The Homo sapiens and other eukaryotic constitutive kynureninases preferentially catalyze the hydrolytic cleavage of 3-hydroxy-L-kynurenine to produce 3-hydroxyanthranilate and L-alanine, while L-kynurenine is the substrate of many prokaryotic inducible kynureninases. The human enzyme was cloned with an N-terminal hexahistidine tag, expressed, and purified from a bacterial expression system using Ni-metal ion affinity chromatography. Kinetic characterization of the recombinant enzyme reveals classic Michaelis-Menten behavior, with a Km= 28.3 1.9 ?M, and a specific activity of 1.75 ?mol min-1 mg-1 for 3-hydroxy-DL-kynurenine. Crystals of recombinant kynureninase were obtained that diffracted to 2.0 , and the atomic structure of the PLP-bound holoenzyme was solved by molecular replacement using the Pseudomonas fluorescens kynureninase structure (PDB accession 1qz9) as the phasing model. A structural superposition with the P. fluorescens kynureninase revealed that these two structures resemble the open and closed conformations of aspartate aminotransferase. The comparison illustrates the dynamic nature of these proteins small domains and reveals a role for Arg-434 similar to that in other AAT ?-family members. Docking of 3-hydroxy-L-kynurenine into the human kynureninase active site suggests that Asn-333 and His-102 are involved in substrate binding and molecular discrimination between inducible and constitutive kynureninase substrates. PMID:17300176

  11. Crystal Structure of Human Spermine Synthase

    PubMed Central

    Wu, Hong; Min, Jinrong; Zeng, Hong; McCloskey, Diane E.; Ikeguchi, Yoshihiko; Loppnau, Peter; Michael, Anthony J.; Pegg, Anthony E.; Plotnikov, Alexander N.

    2008-01-01

    The crystal structures of two ternary complexes of human spermine synthase (EC 2.5.1.22), one with 5′-methylthioadenosine and spermidine and the other with 5′-methylthioadenosine and spermine, have been solved. They show that the enzyme is a dimer of two identical subunits. Each monomer has three domains: a C-terminal domain, which contains the active site and is similar in structure to spermidine synthase; a central domain made up of four β-strands; and an N-terminal domain with remarkable structural similarity to S-adenosylmethionine decarboxylase, the enzyme that forms the aminopropyl donor substrate. Dimerization occurs mainly through interactions between the N-terminal domains. Deletion of the N-terminal domain led to a complete loss of spermine synthase activity, suggesting that dimerization may be required for activity. The structures provide an outline of the active site and a plausible model for catalysis. The active site is similar to those of spermidine synthases but has a larger substrate-binding pocket able to accommodate longer substrates. Two residues (Asp201 and Asp276) that are conserved in aminopropyltransferases appear to play a key part in the catalytic mechanism, and this role was supported by the results of site-directed mutagenesis. The spermine synthase·5′-methylthioadenosine structure provides a plausible explanation for the potent inhibition of the reaction by this product and the stronger inhibition of spermine synthase compared with spermidine synthase. An analysis to trace possible evolutionary origins of spermine synthase is also described. PMID:18367445

  12. Crystal structure of human nicotinic acid phosphoribosyltransferase

    PubMed Central

    Marletta, Ada Serena; Massarotti, Alberto; Orsomando, Giuseppe; Magni, Giulio; Rizzi, Menico; Garavaglia, Silvia

    2015-01-01

    Nicotinic acid phosphoribosyltransferase (EC 2.4.2.11) (NaPRTase) is the rate-limiting enzyme in the three-step PreissHandler pathway for the biosynthesis of NAD. The enzyme catalyzes the conversion of nicotinic acid (Na) and 5-phosphoribosyl-1-pyrophosphate (PRPP) to nicotinic acid mononucleotide (NaMN) and pyrophosphate (PPi). Several studies have underlined the importance of NaPRTase for NAD homeostasis in mammals, but no crystallographic data are available for this enzyme from higher eukaryotes. Here, we report the crystal structure of human NaPRTase that was solved by molecular replacement at a resolution of 2.9 in its ligand-free form. Our structural data allow the assignment of human NaPRTase to the type II phosphoribosyltransferase subfamily and reveal that the enzyme consists of two domains and functions as a dimer with the active site located at the interface of the monomers. The substrate-binding mode was analyzed by molecular docking simulation and provides hints into the catalytic mechanism. Moreover, structural comparison of human NaPRTase with the other two human type II phosphoribosyltransferases involved in NAD biosynthesis, quinolinate phosphoribosyltransferase and nicotinamide phosphoribosyltransferase, reveals that while the three enzymes share a conserved overall structure, a few distinctive structural traits can be identified. In particular, we show that NaPRTase lacks a tunnel that, in nicotinamide phosphoribosiltransferase, represents the binding site of its potent and selective inhibitor FK866, currently used in clinical trials as an antitumoral agent. PMID:26042198

  13. Crystal structure of human nicotinic acid phosphoribosyltransferase.

    PubMed

    Marletta, Ada Serena; Massarotti, Alberto; Orsomando, Giuseppe; Magni, Giulio; Rizzi, Menico; Garavaglia, Silvia

    2015-01-01

    Nicotinic acid phosphoribosyltransferase (EC 2.4.2.11) (NaPRTase) is the rate-limiting enzyme in the three-step Preiss-Handler pathway for the biosynthesis of NAD. The enzyme catalyzes the conversion of nicotinic acid (Na) and 5-phosphoribosyl-1-pyrophosphate (PRPP) to nicotinic acid mononucleotide (NaMN) and pyrophosphate (PPi). Several studies have underlined the importance of NaPRTase for NAD homeostasis in mammals, but no crystallographic data are available for this enzyme from higher eukaryotes. Here, we report the crystal structure of human NaPRTase that was solved by molecular replacement at a resolution of 2.9 in its ligand-free form. Our structural data allow the assignment of human NaPRTase to the type II phosphoribosyltransferase subfamily and reveal that the enzyme consists of two domains and functions as a dimer with the active site located at the interface of the monomers. The substrate-binding mode was analyzed by molecular docking simulation and provides hints into the catalytic mechanism. Moreover, structural comparison of human NaPRTase with the other two human type II phosphoribosyltransferases involved in NAD biosynthesis, quinolinate phosphoribosyltransferase and nicotinamide phosphoribosyltransferase, reveals that while the three enzymes share a conserved overall structure, a few distinctive structural traits can be identified. In particular, we show that NaPRTase lacks a tunnel that, in nicotinamide phosphoribosiltransferase, represents the binding site of its potent and selective inhibitor FK866, currently used in clinical trials as an antitumoral agent. PMID:26042198

  14. Ice Cover as a Factor Driving Microbial Community Structure in the Laurentian Great Lakes

    NASA Astrophysics Data System (ADS)

    McKay, R. M.; Beall, B.; Oyserman, B.; Smith, D.; Bullerjahn, G.; Morris, P.; Twiss, M. R.

    2013-12-01

    Lakes serve as rapid responding sentinels of human influence on the natural environment rendering them powerful tools to advance our understanding of a changing climate on microbial community structure and function. Whereas we possess a baseline knowledge of microbial diversity in the Great Lakes, we know little about how these communities respond to the manifestations of climate change. Through collaboration with U.S.- and Canadian Coast Guards, winter surveys have been conducted on Lake Erie since 2007. The surveys have captured extremes in ice extent ranging from expansive ice cover through 2011 to nearly ice-free waters in winter 2012, a condition driven by a warm positive Arctic Oscillation. We showed that dramatic changes in annual ice cover were accompanied by equally dramatic shifts in phytoplankton community structure. Expansive ice cover documented for Lake Erie in winters 2010 and 2011 supported ice-associated phytoplankton blooms dominated by physiologically robust, filamentous centric diatoms. Transcriptomic analysis of the winter bloom offers insights into the success of this psychrophilic community. By comparison, ice free conditions promoted the growth of small-sized cells supported by analysis of size-fractionated chlorophyll a and flow cytometry. The phytoplankton community in winter 2013 was dominated by microplankton-sized filamentous diatoms, coincident with expansive ice cover and thus returning to the size structure of the 2010 and 2011 communities. Reduced size is recognized as a universal ecological response to global warming in aquatic systems although it usually marks a response to climate warming over multiple years, not a single season as reported here. Fig. 1. Winter surveys conducted on Lake Erie over two years demonstrated tight coupling between microplankton Chl a biomass and total Chl a during winter 2010-11 (purple, green), a year of expansive ice cover. A warm positive Arctic Oscillation resulted in negligible ice cover on Lake Erie in 2011-12. Coincident with the ice-free conditions, a strong departure from a microplankton-dominated system was documented (red, yellow).

  15. Polar ice structure and the integrity of ice-core paleoclimate records

    NASA Astrophysics Data System (ADS)

    Faria, Srgio H.; Freitag, Johannes; Kipfstuhl, Sepp

    2010-01-01

    Polar ice is a unique archive of the climatic conditions in the past. However, ice sheets flow, and this flow may affect the integrity of paleoclimate records. A useful method to analyze the effect of ice flow upon climate records is the combination of microstructure mapping with ice-core line-scanning. Microstructure and stratigraphy have been mapped along the entire EPICA-DML ice core with this combined method. On the macroscale the stratigraphy seems perfectly preserved down to ca 1700 m depth (MIS4), below which minor undulations start to develop. Layers inclined up to 15 and millimeter-scale z-folds are observed below 2050 m depth. Notwithstanding, the EPICA-DML climate record appears not seriously disturbed down to ca 2400 m depth, which marks the climatic transition from the last interglacial (MIS5e) to the MIS6 glacial period. Below this depth the synchronization with the EPICA-Dome C record is lost, and stratigraphic disturbances appear up to the meter scale. On the microscopic scale, we observe dynamic recrystallization already in deep firn, leading to substantial microstructural changes prior to bubble close-off. The concentration of visible micro-inclusions in the Holocene part of the core seems to increase with depth, which could possibly indicate post-depositional formation of salts. In glacial period ice the concentration of visible micro-inclusions in certain layers is so high that these strata appear as light-scattering bands, often called "cloudy bands". Another interesting stratigraphic feature is what we call "bubble-free bands", viz. millimeter-thick strata deprived of bubbles and rich in clathrate hydrates, which are found within the bubble-hydrate transition zone (800-1200 m depth) and are probably caused by anomalously fast clathration. While there is hardly any interaction between visible micro-inclusions and grain boundaries down to 2500 m depth, in the deeper ice (warmer than -10 C) many grain boundaries seem to harvest micro-inclusions. Here we discuss these observations and their relevance for the interpretation of climate records.

  16. Ice particle crystallization in the presence of ethanol: an in situ study by Raman and X-ray diffraction.

    PubMed

    Facq, Sbastien; Dande, Florence; Chazallon, Bertrand

    2013-06-13

    Two distinct ethanol aqueous solution droplets ((X(EtOH))L = 8.7 wt % and 46.5 wt %) are investigated by in situ Raman spectroscopy and X-ray diffraction between 253 and 88 K. Structural changes are identified by modifications in the O-H and C-H stretching modes (2800-3800 cm(-1) spectral region) during freezing and annealing events. They are attributed to the formation of ice and/or different hydrate structures in the EtOH-water system. At high initial ethanol concentration, the particle is found to be composed of a modified clathrate I (cubic structure) at 211 K on cooling and transformed into an ethanol hydrate II (monoclinic structure) on annealing between ?143 and 173 K. This latter decomposes at ?200 K and leaves an aqueous solution and ice Ih which further dissociates above ?230 K. At low initial concentration, ice first forms on cooling and the particle consists of a crystalline ice core embedded in a liquid layer of high ethanol content at ~200 K (or an amorphous layer at lower T). A new hydrate (IV) of distinct structure (orthorhombic) is observed on annealing (from 100 K) between ?123 K and ?142 K (depending on initial composition), which transforms into the ethanol hydrate II at ?160 K. The hydrate II decomposes at ?200 K, and ice Ih remains (and dissociate above ?220 K) in coexistence with the liquid layer of high ethanol content. It is proposed that the complex crystalline ice particles formed may have the potential to impact several atmospherical processes differently in comparison to the pure ice case. PMID:23682626

  17. Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

    DOE PAGESBeta

    Pothineni, Sudhir Babu; Venugopalan, Nagarajan; Ogata, Craig M.; Hilgart, Mark C.; Stepanov, Sergey; Sanishvili, Ruslan; Becker, Michael; Winter, Graeme; Sauter, Nicholas K.; Smith, Janet L.; et al

    2014-11-18

    The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce. Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates amore » collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce.« less

  18. The effects of small ice crystals on the infrared radiative properties of cirrus clouds. Semiannual status report, 1 October 1989-31 March 1990

    SciTech Connect

    Takano, Y.; Liou, K.N.; Asano, S.; Heymsfield, A.; Minnis, P.

    1990-04-01

    To be successful in the development of satellite retrieval methodologies for the determination of cirrus cloud properties, fundamental scattering and absorption data on nonspherical ice crystals that are found in cirrus clouds must be available. Recent aircraft observations (Platt et al.) reveal that there is a large amount of small ice particles, on the order of 10 micron, in cirrus clouds. Thus it is important to explore the potential differences in the scattering and absorption properties of ice crystals with respect to their sizes and shapes. In this study the effects of nonspherical small ice crystals on the infrared radiative properties of cirrus clouds are investigated using light scattering properties of spheroidal particles. In Section 2, using the anomalous diffraction theory for spheres and results from the exact spheroid scattering program, efficient parameterization equations are developed for calculations of the scattering and absorption properties for small ice crystals. Parameterization formulas are also developed for large ice crystals using results computed from the geometric ray-tracing technique and the Fraunhofer diffraction theory for spheroids and hexagonal crystals. This is presented in Section 3. Finally, applications to the satellite remote sensing are described in Section 4.

  19. Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

    SciTech Connect

    Pothineni, Sudhir Babu; Venugopalan, Nagarajan; Ogata, Craig M.; Hilgart, Mark C.; Stepanov, Sergey; Sanishvili, Ruslan; Becker, Michael; Winter, Graeme; Sauter, Nicholas K.; Smith, Janet L.; Fischetti, Robert F.

    2014-11-18

    The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce. Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates a collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce.

  20. Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system

    PubMed Central

    Pothineni, Sudhir Babu; Venugopalan, Nagarajan; Ogata, Craig M.; Hilgart, Mark C.; Stepanov, Sergey; Sanishvili, Ruslan; Becker, Michael; Winter, Graeme; Sauter, Nicholas K.; Smith, Janet L.; Fischetti, Robert F.

    2014-01-01

    The calculation of single- and multi-crystal data collection strategies and a data processing pipeline have been tightly integrated into the macromolecular crystallographic data acquisition and beamline control software JBluIce. Both tasks employ wrapper scripts around existing crystallographic software. JBluIce executes scripts through a distributed resource management system to make efficient use of all available computing resources through parallel processing. The JBluIce single-crystal data collection strategy feature uses a choice of strategy programs to help users rank sample crystals and collect data. The strategy results can be conveniently exported to a data collection run. The JBluIce multi-crystal strategy feature calculates a collection strategy to optimize coverage of reciprocal space in cases where incomplete data are available from previous samples. The JBluIce data processing runs simultaneously with data collection using a choice of data reduction wrappers for integration and scaling of newly collected data, with an option for merging with pre-existing data. Data are processed separately if collected from multiple sites on a crystal or from multiple crystals, then scaled and merged. Results from all strategy and processing calculations are displayed in relevant tabs of JBluIce. PMID:25484844

  1. High-frequency microwave anti-/de-icing system for carbon-reinforced airfoil structures

    NASA Astrophysics Data System (ADS)

    Feher, Lambert; Thumm, Manfred

    2001-08-01

    An aircraft may be subjected to icing for a variety of meteorological reasons during the flight. Ice formation on the plane and in particular on the aerodynamically carrying structures adversely affects the flight behaviour. Conventional de-icing methods for aluminum wings are characterised by a high energy consumption during the flight and slow ice melting due to thermal diffusion of the heat in the wing material. In addition to advanced turbines, novel materials and composites have to be used in order to reduce the weight and, hence, the fuel consumption. These composite materials have a far worse thermal conductivity than metals and undergo delamination when hot air systems, resistance or ohmic heating mats are used. In the paper, the unique advantages of a novel High Frequency Microwave Anti-/De-icing System for large future aircraft with carbon reinforced leading edge structures are presented.

  2. Energy benchmarks for water clusters and ice structures from an embedded many-body expansion

    NASA Astrophysics Data System (ADS)

    Gillan, M. J.; Alf, D.; Bygrave, P. J.; Taylor, C. R.; Manby, F. R.

    2013-09-01

    We show how an embedded many-body expansion (EMBE) can be used to calculate accurate ab initio energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave et al. [J. Chem. Phys. 137, 164102 (2012)], in which the terms in the expansion are obtained from calculations on monomers, dimers, etc., acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order Mller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 mEh/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested.

  3. Energy benchmarks for water clusters and ice structures from an embedded many-body expansion.

    PubMed

    Gillan, M J; Alf, D; Bygrave, P J; Taylor, C R; Manby, F R

    2013-09-21

    We show how an embedded many-body expansion (EMBE) can be used to calculate accurate ab initio energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave et al. [J. Chem. Phys. 137, 164102 (2012)], in which the terms in the expansion are obtained from calculations on monomers, dimers, etc., acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order Mller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 mE(h)/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested. PMID:24070273

  4. Field studies and some results of numerical modeling of a ring structure on Baikal ice

    NASA Astrophysics Data System (ADS)

    Granin, N. G.; Kozlov, V. V.; Tsvetova, E. A.; Gnatovsky, R. Yu.

    2015-03-01

    This work presents the results of complex analysis of the field data and of mathematical modeling of the ice ring structure more than 4 km across, which was identified by the space images of South Baikal in April 2009. The measurements revealed that the ice thickness was 74 cm in the center of the structure, decreased to 43 cm at a distance of 2 km, and increased up to 70 cm and more beyond the ring. The ice water in the central part was warmer by 0.5C and less saline (for 2 mg/kg) relative to the periphery of the structure. According to the tracer movements, the maximum velocities of the ice currents (3-4 cm/s) were observed at a distance of 2-3 km from the center of the structure with minimum ice thickness. The event was modeled using several mathematical models of various scales. The 3-D nonhydrostatic modeling of the large-scale processes on the basis of the temperature measured in the area of the structure showed the presence of local anticyclonic circulation, where the velocities of the currents increased up to the maximum (5-7 cm/s) at the distance of 2-3 km from the center and then decreased. The variations in the ice thickness in the area of the ring structure were modeled on the basis of these calculation results. The ice thicknesses determined in the context of the Stefan problem for the 2-D axis-symmetrical temperature distribution model are close to the measured ones. According to the model, the formation of the ring structure spans a period of 25-35 days. The origination of the dark ring on the satellite images is related to the lower ice thickness relative to the ambient areas and to the water level in microfractures closer to the ice surface.

  5. Development of a structural concept to resist impacts from multiyear ice floes, ridges, and icebergs

    SciTech Connect

    Gerwick, B.C.; Potter, R.E.; Rojansky, M.

    1984-05-01

    Large multi-year ice features and icebergs may have masses ranging up to 20 million tons or more and may move in the open water at speeds up to 1 knot, thus developing tremendous kinetic energy. A stepped structure concept has been developed to resist these impacts and to transfer the resultant forces and moments into the foundation thus developing a relatively high concentrated reaction force against the ice tending to spall and split it, thus causing a multi-modal failure of the ice, as well as using up kinetic energy at a relatively controlled rate. Calculated ice forces and ice failure modes will be presented. The stepped structure concept is primarily applicable to production platforms in water depths of 50 to 200 meters, which are subject to impact of large ice features such as multi-year ridges, floes, and icebergs The resulting global ice loads are reduced by 50 percent or more as compared to those developed by a vertical or a steep sided structure. Overturning moments are reduced, thus reducing maxima soil bearing values. The structure itself is efficient in its use of structural materials, and is practicable for construction in prestressed reinforced concrete or steel/ concrete hybrid construction. It has acceptable draft during tow and can carry a fully outfitted deck. It is stable during all stages of installation.

  6. Ice island creation, drift, recurrences, mechanical properties, and interactions with arctic offshore oil production structures. Final report

    SciTech Connect

    Sackinger, W.M.; Jeffries, M.O.; Li, Fucheng; Lu, Mingchi

    1991-03-01

    Research and engineering studies on first-year sea ice for over two decades has resulted in the design, construction, and operation of jacket platforms, of artificial islands, and of massive gravity structures which routinely withstand moving sea ice of thickness up to 2 meters. However, the less-common interactions between such structures and moving multiyear ice ({ge}3 meters thick), and also moving ice islands (10 to 60 meters thick) remain as the unknown and potentially most serious hazard for Arctic offshore structures. In this study, research was addressed across the complete span of remaining questions regarding such features. Ice island components, thickness distributions, scenarios and models for the interactions of massive ice features with offshore structures, all were considered. Ice island morphology and calving studies were directed at the cluster of 19 ice islands produced in a calving from the Ward Hunt Ice Shelf on Ellesmere Island in 1983, and also at a calving from the Milne Ice Shelf in 1988. The statistics of ice island dynamics, on both a short-term small-scale basis and also on a long-term basis, were studied. Typical wind velocities of 5 to 7.5 meters per second led to ice island speeds of about 0.014 of the wind speed, at an angle of 20{degrees} to the right of the wind direction. Ice island samples were tested for their stress/strain characteristics. Compressive strength values ranged from 1.64 MPa at a strain rate of 2 {times} 10{sup {minus}7} s{sup {minus}1} to 6.75 MPa at a strain rate of 1 {times} 10{sup {minus}3} s{sup {minus}1}. Scenarios for ice island/structure interactions were developed, and protective countermeasures such as spray ice and ice rubble barriers were suggested. Additional computer modeling of structure/ice interactions for massive ice features is recommended.

  7. Crystal and electronic structure of copper sulfides

    NASA Astrophysics Data System (ADS)

    Lukashev, Pavel

    Copper sulfides with different copper concentration exist in mineral form ranging from CuS to Cu2S. Among these, chalcosite Cu 2S, and digenite Cu1.8S were the subject of extensive research for decades mainly because of their use as the absorber in photovoltaic cells. Yet; their electronic structure is poorly understood because their crystal structure is complex. Most of the results published so far report the semiconducting nature of these compounds with the energy band gap being in the range of 0.84 to 1.9 eV. The crystal structure consists of a close-packed lattice of S with mobile Cu occupying various types of interstitial sites with a statistical distribution depending on temperature. In this thesis we present the first computational study of their electronic band structure. Initially, we investigated the simpler antifluorite structure. Both local density approximation (LDA) and self-consistent quasiparticle GW calculations with the full-potential linearized muffin-tin orbital method give a semimetallic band structure. Inspection of the nature of the bands shows that the lowest conduction band is mainly Cu-s-like except right near the center of the Brillouin zone where a Cu-s-like state lies about 1 eV below the valence band maximum. Significantly, in GW calculations, this state shifts up by several 0.1 eV but not sufficiently to open a gap. A random distortion of the Cu atoms from the perfect antifluorite positions is found to break the degeneracy of the d state at the Gamma-point and thus opens up a small gap of about 0.1 eV in LDA. As our next step we constructed supercell models for the cubic and hexagonal phases with the Cu positions determined by a weighted random number generator. The low temperature monoclinic phase was also studied. The computed total energies of these structures follow the same order as the reported phases with increasing temperatures. All these models gave similar small band gaps of order 0.1-0.2 eV. However, their conduction band is now mainly s-like and addition of an expected Cu-s level shift opens the gap to about 0.5 eV. Some simpler hexagonal model structures gave slightly larger band gap but were found to be unrealistic. The optical absorption data all show a strong intraband absorption with a minimum in absorption at about 1 eV. Our calculations suggest a significantly lower gap of order 0.5 eV with low absorption cross section, the true nature of which is masked by the free carrier absorption. As part of our study of the related Cu-compounds, we analyzed the quasiparticle effects beyond LDA obtained from a GW calculation on the effective masses and Kohn-Luttinger hamiltonian parameters for CuBr.

  8. Crystal structures of five 6-mercaptopurine derivatives

    PubMed Central

    Gomes, Lígia R.; Low, John Nicolson; Magalhães e Silva, Diogo; Cagide, Fernando; Borges, Fernanda

    2016-01-01

    The crystal structures of five 6-mercaptopurine derivatives, viz. 2-[(9-acetyl-9H-purin-6-yl)sulfan­yl]-1-(3-meth­oxy­phen­yl)ethan-1-one (1), C16H14N4O3S, 2-[(9-acetyl-9H-purin-6-yl)sulfan­yl]-1-(4-meth­oxy­phen­yl)ethan-1-one (2), C16H14N4O3S, 2-[(9-acetyl-9H-purin-6-yl)sulfan­yl]-1-(4-chloro­phen­yl)ethan-1-one (3), C15H11ClN4O2S, 2-[(9-acetyl-9H-purin-6-yl)sulfan­yl]-1-(4-bromo­phen­yl)ethan-1-one (4), C15H11BrN4O2S, and 1-(3-meth­oxy­phen­yl)-2-[(9H-purin-6-yl)sulfan­yl]ethan-1-one (5), C14H12N4O2S. Compounds (2), (3) and (4) are isomorphous and accordingly their mol­ecular and supra­molecular structures are similar. An analysis of the dihedral angles between the purine and exocyclic phenyl rings show that the mol­ecules of (1) and (5) are essentially planar but that in the case of the three isomorphous compounds (2), (3) and (4), these rings are twisted by a dihedral angle of approximately 38°. With the exception of (1) all mol­ecules are linked by weak C—H⋯O hydrogen bonds in their crystals. There is π–π stacking in all compounds. A Cambridge Structural Database search revealed the existence of 11 deposited compounds containing the 1-phenyl-2-sulfanyl­ethanone scaffold; of these, only eight have a cyclic ring as substituent, the majority of these being heterocycles. PMID:27006794

  9. Structure dependent hydrogen induced etching features of graphene crystals

    NASA Astrophysics Data System (ADS)

    Thangaraja, Amutha; Shinde, Sachin M.; Kalita, Golap; Papon, Remi; Sharma, Subash; Vishwakarma, Riteshkumar; Sharma, Kamal P.; Tanemura, Masaki

    2015-06-01

    H2 induced etching of graphene is of significant interest to understand graphene growth process as well as to fabricate nanoribbons and various other structures. Here, we demonstrate the structure dependent H2 induced etching behavior of graphene crystals. We synthesized graphene crystals on electro-polished Cu foil by an atmospheric pressure chemical vapor deposition process, where some of the crystals showed hexagonal shaped snowflake-dendritic morphology. Significant differences in H2 induced etching behavior were observed for the snowflake-dendritic and regular graphene crystals by annealing in a gas mixture of H2 and Ar. The regular graphene crystals were etched anisotropically creating hexagonal holes with pronounced edges, while etching of all the dendritic crystals occurred from the branches of lobs creating symmetrical fractal structures. The etching behavior provides important clue of graphene nucleation and growth as well as their selective etching to fabricate well-defined structures for nanoelectronics.

  10. Crystal structure of the dynamin tetramer.

    PubMed

    Reubold, Thomas F; Faelber, Katja; Plattner, Nuria; Posor, York; Ketel, Katharina; Curth, Ute; Schlegel, Jeanette; Anand, Roopsee; Manstein, Dietmar J; No, Frank; Haucke, Volker; Daumke, Oliver; Eschenburg, Susanne

    2015-09-17

    The mechanochemical protein dynamin is the prototype of the dynamin superfamily of large GTPases, which shape and remodel membranes in diverse cellular processes. Dynamin forms predominantly tetramers in the cytosol, which oligomerize at the neck of clathrin-coated vesicles to mediate constriction and subsequent scission of the membrane. Previous studies have described the architecture of dynamin dimers, but the molecular determinants for dynamin assembly and its regulation have remained unclear. Here we present the crystal structure of the human dynamin tetramer in the nucleotide-free state. Combining structural data with mutational studies, oligomerization measurements and Markov state models of molecular dynamics simulations, we suggest a mechanism by which oligomerization of dynamin is linked to the release of intramolecular autoinhibitory interactions. We elucidate how mutations that interfere with tetramer formation and autoinhibition can lead to the congenital muscle disorders Charcot-Marie-Tooth neuropathy and centronuclear myopathy, respectively. Notably, the bent shape of the tetramer explains how dynamin assembles into a right-handed helical oligomer of defined diameter, which has direct implications for its function in membrane constriction. PMID:26302298

  11. Crystal Structure of Human Kynurenine Aminotransferase ll*

    SciTech Connect

    Han,Q.; Robinson, H.; Li, J.

    2008-01-01

    Human kynurenine aminotransferase II (hKAT-II) efficiently catalyzes the transamination of knunrenine to kynurenic acid (KYNA). KYNA is the only known endogenous antagonist of N-methyl-d-aspartate (NMDA) receptors and is also an antagonist of 7-nicotinic acetylcholine receptors. Abnormal concentrations of brain KYNA have been implicated in the pathogenesis and development of several neurological and psychiatric diseases in humans. Consequently, enzymes involved in the production of brain KYNA have been considered potential regulatory targets. In this article, we report a 2.16 Angstroms crystal structure of hKAT-II and a 1.95 Angstroms structure of its complex with kynurenine. The protein architecture of hKAT-II reveals that it belongs to the fold-type I pyridoxal 5-phosphate (PLP)-dependent enzymes. In comparison with all subclasses of fold-type I-PLP-dependent enzymes, we propose that hKAT-II represents a novel subclass in the fold-type I enzymes because of the unique folding of its first 65 N-terminal residues. This study provides a molecular basis for future effort in maintaining physiological concentrations of KYNA through molecular and biochemical regulation of hKAT-II.

  12. Sensitivity of Cirrus Bidirectional Reflectance at MODIS Bands to Vertical Inhomogeneity of Ice Crystal Habits and Size Distribution

    NASA Technical Reports Server (NTRS)

    Yang, P.; Gao, B.-C.; Baum, B. A.; Wiscombe, W.; Hu, Y.; Nasiri, S. L.; Soulen, P. F.; Heymsfield, A. J.; McFarquhar, G. M.; Miloshevich, L. M.

    2000-01-01

    A common assumption in satellite imager-based cirrus retrieval algorithms is that the radiative properties of a cirrus cloud may be represented by those associated with a specific ice crystal shape (or habit) and a single particle size distribution. However, observations of cirrus clouds have shown that the shapes and sizes of ice crystals may vary substantially with height within the clouds. In this study we investigate the sensitivity of the top-of-atmosphere bidirectional reflectances at two MODIS bands centered at 0.65 micron and 2.11 micron to the cirrus models assumed to be either a single homogeneous layer or three distinct but contiguous, layers. First, we define the single- and three-layer cirrus cloud models with respect to ice crystal habit and size distribution on the basis of in situ replicator data acquired during the First ISCCP Regional Experiment (FIRE-II), held in Kansas during the fall of 1991. Subsequently, fundamental light scattering and radiative transfer theory is employed to determine the single scattering and the bulk radiative properties of the cirrus cloud. Regarding the radiative transfer computations, we present a discrete form of the adding/doubling principle by introducing a direct transmission function, which is computationally straightforward and efficient an improvement over previous methods. For the 0.65 micron band, at which absorption by ice is negligible, there is little difference between the bidirectional reflectances calculated for the one- and three-layer cirrus models, suggesting that the vertical inhomogeneity effect is relatively unimportant. At the 2.11 micron band, the bidirectional reflectances computed for both optically thin (tau = 1) and thick (tau = 10) cirrus clouds show significant differences between the results for the one- and three-layer models. The reflectances computed for the three-layer cirrus model are substantially larger than those computed for the single-layer cirrus. Finally, we find that cloud reflectance is very sensitive to the optical properties of the small crystals that predominate in the top layer of the three-layer cirrus model. It is critical to define the most realistic geometric shape for the small "quasi-spherical" ice crystals in the top layer for obtaining reliable single-scattering parameters and bulk radiative properties of cirrus.

  13. AA-stacked bilayer square ice between graphene layers

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    Water confined between two graphene layers with a separation of a few forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015), 10.1038/nature14295] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice.

  14. Crystallization and Structure Determination of Superantigens and Immune Receptor Complexes.

    PubMed

    Rdstrm, Karin E J; Lindkvist-Petersson, Karin

    2016-01-01

    Structure determination of superantigens and the complexes they form with immune receptors have over the years provided insight in their modes of action. This technique requires growing large and highly ordered crystals of the superantigen or receptor-superantigen complex, followed by exposure to X-ray radiation and data collection. Here, we describe methods for crystallizing superantigens and superantigen-receptor complexes using the vapor diffusion technique, how the crystals may be optimized, and lastly data collection and structure determination. PMID:26676036

  15. Midlatitude Cirrus Clouds Derived from Hurricane Nora: A Case Study with Implications for Ice Crystal Nucleation and Shape.

    NASA Astrophysics Data System (ADS)

    Sassen, Kenneth; Arnott, W. Patrick; O'C. Starr, David; Mace, Gerald G.; Wang, Zhien; Poellot, Michael R.

    2003-04-01

    Hurricane Nora traveled up the Baja Peninsula coast in the unusually warm El Nio waters of September 1997 until rapidly decaying as it approached southern California on 24 September. The anvil cirrus blowoff from the final surge of tropical convection became embedded in subtropical flow that advected the cirrus across the western United States, where it was studied from the Facility for Atmospheric Remote Sensing (FARS) in Salt Lake City, Utah, on 25 September. A day later, the cirrus shield remnants were redirected southward by midlatitude circulations into the southern Great Plains, providing a case study opportunity for the research aircraft and ground-based remote sensors assembled at the Clouds and Radiation Testbed (CART) site in northern Oklahoma. Using these comprehensive resources and new remote sensing cloud retrieval algorithms, the microphysical and radiative cloud properties of this unusual cirrus event are uniquely characterized.Importantly, at both the FARS and CART sites the cirrus generated spectacular halos and arcs, which acted as a tracer for the hurricane cirrus, despite the limited lifetimes of individual ice crystals. Lidar depolarization data indicate widespread regions of uniform ice plate orientations, and in situ particle replicator data show a preponderance of pristine, solid hexagonal plates and columns. It is suggested that these unusual aspects are the result of the mode of cirrus particle nucleation, presumably involving the lofting of sea salt nuclei in strong thunderstorm updrafts into the upper troposphere. This created a reservoir of haze particles that continued to produce halide-salt-contaminated ice crystals during the extended period of cirrus cloud maintenance. The inference that marine microbiota are embedded in the replicas of some ice crystals collected over the CART site points to the longevity of marine effects. Various nucleation scenarios proposed for cirrus clouds based on this and other studies, and the implications for understanding cirrus radiative properties on a global scale, are discussed.

  16. Midlatitude Cirrus Clouds Derived from Hurricane Nora: A Case Study with Implications for Ice Crystal Nucleation and Shape

    NASA Technical Reports Server (NTRS)

    Sassen, Kenneth; Arnott, W. Patrick; OCStarr, David; Mace, Gerald G.; Wang, Zhien; Poellot, Michael R.

    2002-01-01

    Hurricane Nora traveled up the Bala Peninsula coast in the unusually warm El Nino waters of September 1997, until rapidly decaying as it approached Southern California on 24 September. The anvil cirrus blowoff from the final surge of tropical convection became embedded in subtropical flow that advected the cirrus across the western US, where it was studied from the Facility for Atmospheric Remote Sensing (FARS) in Salt Lake City, Utah. A day later, the cirrus shield remnants were redirected southward by midlatitude circulations into the Southern Great Plains, providing a case study opportunity for the research aircraft and ground-based remote sensors assembled at the Clouds and Radiation Testbed (CART) site in northern Oklahoma. Using these comprehensive resources and new remote sensing cloud retrieval algorithms, the microphysical and radiative cloud properties of this unusual cirrus event are uniquely characterized. Importantly, at both the FARS and CART sites the cirrus generated spectacular optical displays, which acted as a tracer for the hurricane cirrus, despite the limited lifetimes of individual ice crystals. Lidar polarization data indicate widespread regions of uniform ice plate orientations, and in situ particle masticator data show a preponderance of pristine, solid hexagonal plates and columns. It is suggested that these unusual aspects are the result of the mode of cirrus particle nucleation, presumably involving the lofting of sea-salt nuclei in thunderstorm updrafts into the upper troposphere. This created a reservoir of haze particles that continued to produce halide-saltcontaminated ice crystals during the extended period of cirrus cloud maintenance. The reference that marine microliters are embedded in the replicas of ice crystals collected over the CART site points to the longevity of marine effects. Various nucleation scenarios proposed for cirrus clouds based on this and other studies, and the implications for understanding cirrus radiative properties or a global scale, are discussed.

  17. Undergraduates Improve upon Published Crystal Structure in Class Assignment

    ERIC Educational Resources Information Center

    Horowitz, Scott; Koldewey, Philipp; Bardwell, James C.

    2014-01-01

    Recently, 57 undergraduate students at the University of Michigan were assigned the task of solving a crystal structure, given only the electron density map of a 1.3 Å crystal structure from the electron density server, and the position of the N-terminal amino acid. To test their knowledge of amino acid chemistry, the students were not given the…

  18. Undergraduates Improve upon Published Crystal Structure in Class Assignment

    ERIC Educational Resources Information Center

    Horowitz, Scott; Koldewey, Philipp; Bardwell, James C.

    2014-01-01

    Recently, 57 undergraduate students at the University of Michigan were assigned the task of solving a crystal structure, given only the electron density map of a 1.3 crystal structure from the electron density server, and the position of the N-terminal amino acid. To test their knowledge of amino acid chemistry, the students were not given the

  19. Three-Dimensional Photonic Crystal Laser-Driven Accelerator Structures

    SciTech Connect

    Cowan, B.; /SLAC

    2006-09-07

    We discuss simulated photonic crystal structure designs for laser-driven particle acceleration, focusing on three-dimensional planar structures based on the so-called ''woodpile'' lattice. We describe guiding of a speed-of-light accelerating mode by a defect in the photonic crystal lattice and discuss the properties of this mode, including particle beam dynamics and potential coupling methods for the structure. We also discuss possible materials and power sources for this structure and their effects on performance parameters, as well as possible manufacturing techniques and the required tolerances. In addition we describe the computational technique and possible improvements in numerical modeling that would aid development of photonic crystal structures.

  20. The hierarchical structure of glacial climatic oscillations: interactions between ice-sheet dynamics and climate

    NASA Astrophysics Data System (ADS)

    Paillard, Didier

    1995-04-01

    Abrupt climatic oscillations around the North Atlantic have been identified recently in Greenland ice cores as well as in North Atlantic marine sediment cores. The good correlation between the ‘Dansgaard-Oeschger events’ in the ice and the ‘Heinrich events’ in the ocean suggests that climate, in the North Atlantic region, underwent several massive reorganizations in the last glacial period. A characteristic feature of these events seems to be their hierarchical structure. Every 7 to 10-thousand years, when the temperature is close to its minimum, the ice-sheet undergoes a massive iceberg discharge. This Heinrich event is then followed by an abrupt warming, then by several other oscillations, each one lasting between one and two thousand years. These secondary oscillations do not have a clear signature in marine sediments but constitute most of the ‘Dansgaard-Oeschger events’ found in the ice. Here we use a simplified model coupling an ice-sheet and an ocean basin, in order to illustrate how the interactions between these two components can lead to such a hierarchical structure. The ice-sheet model exhibits internal oscillations composed of ice-sheet growing phases and basal ice melting phases that induce massive iceberg discharges. These massive fresh water inputs in the ocean stop for a moment the thermohaline circulation, enhancing the temperature contrast between low- and high-latitudes. Just after this event, the thermohaline circulation restarts and an abrupt warming of high-latitude regions is observed. For some parameter values, these warmer temperatures have in turn some influence on the ice-sheet, inducing secondary oscillations similar to those found in paleoclimatic records. Although the mechanism presented here may be too grossly simplified, it nevertheless underlines the potential importance of the coupling between ice-sheet dynamics and oceanic thermohaline circulation on the structure of the climatic records during the last glacial period.

  1. Use of Pom Pons to Illustrate Cubic Crystal Structures.

    ERIC Educational Resources Information Center

    Cady, Susan G.

    1997-01-01

    Describes a method that uses olefin pom pons to illustrate cubic crystal structure. Facilitates hands-on examination of different packing arrangements such as hexagonal close-packed and cubic close-packed structures. (JRH)

  2. Supraglacial bacterial community structures vary across the Greenland ice sheet.

    PubMed

    Cameron, Karen A; Stibal, Marek; Zarsky, Jakub D; Gözdereliler, Erkin; Schostag, Morten; Jacobsen, Carsten S

    2016-02-01

    The composition and spatial variability of microbial communities that reside within the extensive (>200 000 km(2)) biologically active area encompassing the Greenland ice sheet (GrIS) is hypothesized to be variable. We examined bacterial communities from cryoconite debris and surface ice across the GrIS, using sequence analysis and quantitative PCR of 16S rRNA genes from co-extracted DNA and RNA. Communities were found to differ across the ice sheet, with 82.8% of the total calculated variation attributed to spatial distribution on a scale of tens of kilometers separation. Amplicons related to Sphingobacteriaceae, Pseudanabaenaceae and WPS-2 accounted for the greatest portion of calculated dissimilarities. The bacterial communities of ice and cryoconite were moderately similar (global R = 0.360, P = 0.002) and the sampled surface type (ice versus cryoconite) did not contribute heavily towards community dissimilarities (2.3% of total variability calculated). The majority of dissimilarities found between cryoconite 16S rRNA gene amplicons from DNA and RNA was calculated to be the result of changes in three taxa, Pseudanabaenaceae, Sphingobacteriaceae and WPS-2, which together contributed towards 80.8 ± 12.6% of dissimilarities between samples. Bacterial communities across the GrIS are spatially variable active communities that are likely influenced by localized biological inputs and physicochemical conditions. PMID:26691594

  3. Catalytic crystallization of ices by small silicate smokes at temperatures less than 20K

    NASA Technical Reports Server (NTRS)

    Moore, M.; Ferrante, R.; Hudson, R.; Tanabe, T.; Nuth, J.

    1993-01-01

    Samples of methanol and water ices condensed from the vapor onto aluminum substrates at low temperatures (below approximately 80 K) form amorphous ices; annealing at temperatures in excess of 140-155 K is usually required to convert such amorphous samples to crystalline ices. However, we have found that when either methanol or water vapor is deposited on to aluminum substrates that have been coated with a thin (0.1-0.5 mm) layer of amorphous silicate smoke, the ices condense in crystalline form. We believe that crystalline ice forms as the result of energy liberated at the ice/silicate interface perhaps due to weak bonding of the ice at defect sites on the grains and the very high surface to volume ratio and defect density of these smokes. Annealing of amorphous water ice mixed with more volatile components such as methane, carbon monoxide, etc., has been suggested as an efficient way to produce clatherates in the outer solar nebula and thus explain the volatile content of comets and icy satellites of the outer planets. This hypothesis may need to be re-examined if amorphous ice does not form on cold silicate grains.

  4. Numerical simulation of the flow fields around falling ice crystals with inclined orientation and the hydrodynamic torque

    NASA Astrophysics Data System (ADS)

    Hashino, Tempei; Chiruta, Mihai; Polzin, Dierk; Kubicek, Alexander; Wang, Pao K.

    2014-12-01

    The flow field and orientation of ice particles are fundamental information to understand cloud microphysical processes, optical phenomena, and electric-field induced orientation and to improve remote sensing of ice clouds. The purpose of this study is to investigate the flow fields and hydrodynamic torques of falling ice columns and hexagonal plates with their largest dimension inclined with respect to the airflow. The Reynolds numbers range from 2 to 70 for columns and 2 to 120 for plates. The flow fields are obtained by numerically solving the relevant Navier-Stokes equations under the assumption of air incompressibility. It was found that for the intermediate Reynolds number the streamlines around the inclined crystals exhibit less spiral rotation behind them than those around the stable posture. The vorticity magnitude was larger in the upstream side and broader in the downstream than the one without inclination. For plates, a high-pressure dome on the center of the lower basal face disappears with inclination, possibly leading to an increase of riming there. The torques acting on the crystals have a local maximum over the inclined angle and exhibit almost symmetric around 45 over the range of Reynolds numbers. The torque parameterization was performed under pressures of 300, 500, and 800 hPa as a function of Reynolds number and aspect ratio. It was found that the time scale of rotation for plates is smaller than the one for columns. Furthermore, the torque formula was applied to assess alignment of crystals along electric fields. It was found that these crystals of millimeter size require 120 kV/m for the electrical alignment, which agrees with previous studies.

  5. Crystal structure of the Varkud satellite ribozyme.

    PubMed

    Suslov, Nikolai B; DasGupta, Saurja; Huang, Hao; Fuller, James R; Lilley, David M J; Rice, Phoebe A; Piccirilli, Joseph A

    2015-11-01

    The Varkud satellite (VS) ribozyme mediates rolling-circle replication of a plasmid found in the Neurospora mitochondrion. We report crystal structures of this ribozyme from Neurospora intermedia at 3.1 resolution, which revealed an intertwined dimer formed by an exchange of substrate helices. In each protomer, an arrangement of three-way helical junctions organizes seven helices into a global fold that creates a docking site for the substrate helix of the other protomer, resulting in the formation of two active sites in trans. This mode of RNA-RNA association resembles the process of domain swapping in proteins and has implications for RNA regulation and evolution. Within each active site, adenine and guanine nucleobases abut the scissile phosphate, poised to serve direct roles in catalysis. Similarities to the active sites of the hairpin and hammerhead ribozymes highlight the functional importance of active-site features, underscore the ability of RNA to access functional architectures from distant regions of sequence space, and suggest convergent evolution. PMID:26414446

  6. Nucleation and growth of ice crystals inside cultured hepatocytes during freezing in the presence of dimethyl sulfoxide.

    PubMed Central

    Karlsson, J O; Cravalho, E G; Borel Rinkes, I H; Tompkins, R G; Yarmush, M L; Toner, M

    1993-01-01

    A three-part, coupled model of cell dehydration, nucleation, and crystal growth was used to study intracellular ice formation (IIF) in cultured hepatocytes frozen in the presence of dimethyl sulfoxide (DMSO). Heterogeneous nucleation temperatures were predicted as a function of DMSO concentration and were in good agreement with experimental data. Simulated freezing protocols correctly predicted and explained experimentally observed effects of cooling rate, warming rate, and storage temperature on hepatocyte function. For cells cooled to -40 degrees C, no IIF occurred for cooling rates less than 10 degrees C/min. IIF did occur at faster cooling rates, and the predicted volume of intracellular ice increased with increasing cooling rate. Cells cooled at 5 degrees C/min to -80 degrees C were shown to undergo nucleation at -46.8 degrees C, with the consequence that storage temperatures above this value resulted in high viability independent of warming rate, whereas colder storage temperatures resulted in cell injury for slow warming rates. Cell damage correlated positively with predicted intracellular ice volume, and an upper limit for the critical ice content was estimated to be 3.7% of the isotonic water content. The power of the model was limited by difficulties in estimating the cytosol viscosity and membrane permeability as functions of DMSO concentration at low temperatures. Images FIGURE 1 PMID:8312489

  7. Spectroscopic, thermal and structural studies on manganous malate crystals

    SciTech Connect

    Thomas, J. Lincy, A. Mahalakshmi, V.; Saban, K. V.

    2013-01-15

    Prismatic crystals of manganous malate have been prepared by controlled ionic diffusion in hydrosilica gel. The structure was elucidated using single crystal X-ray diffraction. The crystals are orthorhombic with space group Pbca. Vibrations of the functional groups were identified by the FTIR spectrum. Thermogravimetric and differential thermal analyses (TG-DTA) were carried out to explore the thermal decomposition pattern of the material. Structural information derived from FTIR and TG-DTA studies is in conformity with the single crystal XRD data.

  8. Preparation of iridescent colloidal crystal coatings with variable structural colors.

    PubMed

    Cong, Hailin; Yu, Bing; Wang, Shaopeng; Qi, Limin; Wang, Jilei; Ma, Yurong

    2013-07-29

    Iridescent colloidal crystal coatings with variable structural colors were fabricated by incorporating carbon black nanoparticles (CB-NPs) into the voids of polystyrene (PS) colloidal crystals. The structural color of the colloid crystal coatings was not only greatly enhanced after the composition but also varied with observation angles. By changing the diameter of monodisperse PS colloids in the composites, colloidal crystal coatings with three primary colors for additive or subtractive combination were obtained. After incorporation of the PS/CB-NPs hybrid coatings into polydimethylsiloxane (PDMS) matrix, manmade opal jewelry with variable iridescent colors was made facilely. PMID:23938656

  9. Southern Ocean frontal structure and sea-ice formation rates revealed by elephant seals

    PubMed Central

    Charrassin, J.-B.; Hindell, M.; Rintoul, S. R.; Roquet, F.; Sokolov, S.; Biuw, M.; Costa, D.; Boehme, L.; Lovell, P.; Coleman, R.; Timmermann, R.; Meijers, A.; Meredith, M.; Park, Y.-H.; Bailleul, F.; Goebel, M.; Tremblay, Y.; Bost, C.-A.; McMahon, C. R.; Field, I. C.; Fedak, M. A.; Guinet, C.

    2008-01-01

    Polar regions are particularly sensitive to climate change, with the potential for significant feedbacks between ocean circulation, sea ice, and the ocean carbon cycle. However, the difficulty in obtaining in situ data means that our ability to detect and interpret change is very limited, especially in the Southern Ocean, where the ocean beneath the sea ice remains almost entirely unobserved and the rate of sea-ice formation is poorly known. Here, we show that southern elephant seals (Mirounga leonina) equipped with oceanographic sensors can measure ocean structure and water mass changes in regions and seasons rarely observed with traditional oceanographic platforms. In particular, seals provided a 30-fold increase in hydrographic profiles from the sea-ice zone, allowing the major fronts to be mapped south of 60S and sea-ice formation rates to be inferred from changes in upper ocean salinity. Sea-ice production rates peaked in early winter (AprilMay) during the rapid northward expansion of the pack ice and declined by a factor of 2 to 3 between May and August, in agreement with a three-dimensional coupled oceansea-ice model. By measuring the high-latitude ocean during winter, elephant seals fill a blind spot in our sampling coverage, enabling the establishment of a truly global ocean-observing system. PMID:18695241

  10. Spatial and temporal variations in the age structure of Arctic sea ice

    USGS Publications Warehouse

    Belchansky, G.I.; Douglas, D.C.; Platonov, N.G.

    2005-01-01

    Spatial and temporal variations in the age structure of Arctic sea ice are investigated using a new reversechronology algorithm that tracks ice-covered pixels to their location and date of origin based on ice motion and concentration data. The Beaufort Gyre tends to harbor the oldest (>10 years old) sea ice in the western Arctic while direct ice advection pathways toward the Transpolar Drift Stream maintain relatively young (???5 years) ice in the eastern Arctic. Persistent net losses (-4.2% yr-1) in extent of ice >10 years old (10+ year age class) were observed during 1989-2003. Since the mid-1990s, losses to the 10+ year age class lacked compensation by recruitment due to a prior depletion of all mature (6-10 year) age classes. Survival of the 1994 and 1996-1998 sea ice generations reestablished most mature age classes, and thereby the potential to increase extent of the 10+ year age class during the mid-2000s. Copyright 2005 by the American Geophysical Union.

  11. Spatial and temporal variations in the age structure of Arctic sea ice

    NASA Astrophysics Data System (ADS)

    Belchansky, G. I.; Douglas, D. C.; Platonov, N. G.

    2005-09-01

    Spatial and temporal variations in the age structure of Arctic sea ice are investigated using a new reverse-chronology algorithm that tracks ice-covered pixels to their location and date of origin based on ice motion and concentration data. The Beaufort Gyre tends to harbor the oldest (>10 years old) sea ice in the western Arctic while direct ice advection pathways toward the Transpolar Drift Stream maintain relatively young (<=5 years) ice in the eastern Arctic. Persistent net losses (-4.2% yr-1) in extent of ice >10 years old (10+ year age class) were observed during 1989-2003. Since the mid-1990s, losses to the 10+ year age class lacked compensation by recruitment due to a prior depletion of all mature (6-10 year) age classes. Survival of the 1994 and 1996-1998 sea ice generations reestablished most mature age classes, and thereby the potential to increase extent of the 10+ year age class during the mid-2000s.

  12. Ganymede's internal structure including thermodynamics of magnesium sulfate oceans in contact with ice

    NASA Astrophysics Data System (ADS)

    Vance, Steve; Bouffard, Mathieu; Choukroun, Mathieu; Sotin, Christophe

    2014-06-01

    The large icy moons of Jupiter contain vast quantities of liquid water, a key ingredient for life. Ganymede and Callisto are weaker candidates for habitability than Europa, in part because of the model-based assumption that high-pressure ice layers cover their seafloors and prevent significant water-rock interaction. Water-rock interactions may occur, however, if heating at the rock-ice interface melts the high pressure ice. Highly saline fluids would be gravitationally stable, and might accumulate under the ice due to upward migration, refreezing, and fractionation of salt from less concentrated liquids. To assess the influence of salinity on Ganymede's internal structure, we use available phase-equilibrium data to calculate activity coefficients and predict the freezing of water ice in the presence of aqueous magnesium sulfate. We couple this new equation of state with thermal profiles in Ganymede's interior-employing recently published thermodynamic data for the aqueous phase-to estimate the thicknesses of layers of ice I, III, V, and VI. We compute core and silicate mantle radii consistent with available constraints on Ganymede's mass and gravitational moment of inertia. Mantle radii range from 800 to 900 km for the values of salt and heat flux considered here (4-44 mW m-2 and 0 to 10 wt% MgSO4). Ocean concentrations with salinity higher than 10 wt% have little high pressure ice. Even in a Ganymede ocean that is mostly liquid, achieving such high ocean salinity is permissible for the range of likely S/Si ratios. However, elevated salinity requires a smaller silicate mantle radius to satisfy mass and moment-of-inertia constraints, so ice VI is always present in Ganymede's ocean. For lower values of heat flux, oceans with salinity as low as 3 wt% can co-exist with ice III. Available experimental data indicate that ice phases III and VI become buoyant for salinity higher than 5 wt% and 10 wt%, respectively. Similar behavior probably occurs for ice V at salinities higher than 10 wt%. Flotation can occur over tens of kilometers of depth, indicating the possibility for upward snow or other exotic modes of heat and material transport. We assess Ganymede's interior structure for oceans with magnesium sulfate. New activity models predict freezing of ice in magnesium sulfate solutions. High ocean salinities are permitted by constraints on Ganymede's sulfur content. Stability under high pressure ice implies water rock contact and layered oceans. Upward snow of high-pressure ices occurs in the lower depths of salty oceans.

  13. Photonic crystal structures with tunable structure color as colorimetric sensors.

    PubMed

    Wang, Hui; Zhang, Ke-Qin

    2013-01-01

    Colorimetric sensing, which transduces environmental changes into visible color changes, provides a simple yet powerful detection mechanism that is well-suited to the development of low-cost and low-power sensors. A new approach in colorimetric sensing exploits the structural color of photonic crystals (PCs) to create environmentally-influenced color-changeable materials. PCs are composed of periodic dielectrics or metallo-dielectric nanostructures that affect the propagation of electromagnetic waves (EM) by defining the allowed and forbidden photonic bands. Simultaneously, an amazing variety of naturally occurring biological systems exhibit iridescent color due to the presence of PC structures throughout multi-dimensional space. In particular, some kinds of the structural colors in living organisms can be reversibly changed in reaction to external stimuli. Based on the lessons learned from natural photonic structures, some specific examples of PCs-based colorimetric sensors are presented in detail to demonstrate their unprecedented potential in practical applications, such as the detections of temperature, pH, ionic species, solvents, vapor, humidity, pressure and biomolecules. The combination of the nanofabrication technique, useful design methodologies inspired by biological systems and colorimetric sensing will lead to substantial developments in low-cost, miniaturized and widely deployable optical sensors. PMID:23539027

  14. Photonic Crystal Structures with Tunable Structure Color as Colorimetric Sensors

    PubMed Central

    Wang, Hui; Zhang, Ke-Qin

    2013-01-01

    Colorimetric sensing, which transduces environmental changes into visible color changes, provides a simple yet powerful detection mechanism that is well-suited to the development of low-cost and low-power sensors. A new approach in colorimetric sensing exploits the structural color of photonic crystals (PCs) to create environmentally-influenced color-changeable materials. PCs are composed of periodic dielectrics or metallo-dielectric nanostructures that affect the propagation of electromagnetic waves (EM) by defining the allowed and forbidden photonic bands. Simultaneously, an amazing variety of naturally occurring biological systems exhibit iridescent color due to the presence of PC structures throughout multi-dimensional space. In particular, some kinds of the structural colors in living organisms can be reversibly changed in reaction to external stimuli. Based on the lessons learned from natural photonic structures, some specific examples of PCs-based colorimetric sensors are presented in detail to demonstrate their unprecedented potential in practical applications, such as the detections of temperature, pH, ionic species, solvents, vapor, humidity, pressure and biomolecules. The combination of the nanofabrication technique, useful design methodologies inspired by biological systems and colorimetric sensing will lead to substantial developments in low-cost, miniaturized and widely deployable optical sensors. PMID:23539027

  15. The hierarchical structure of glacial climatic oscillations: Interactions between ice-sheet dynamics and climate

    SciTech Connect

    Paillard, D.

    1995-04-01

    Abrupt climatic oscillations around the North Atlantic have been identified recently in Greenland ice cores as well as in North Atlantic marine sediment cores. The good correlation between the {open_quote}Dansgaard Oeschger events{close_quote} in the ice and the {open_quote}Heinrich events{close_quote} in the ocean suggests climate, in the North Atlantic region, underwent several massive reorganizations in the last glacial period. A characteristic feature seems to be their hierarchical structure. Every 7 to 10-thousand years, when the temperature is close to its minimum, the ice-sheet undergoes a massive iceberg discharge. This Heinrich event is followed by an abrupt warming. then by other oscillations, each lasting between one and two thousand years. These secondary oscillations do not have a clear signature in marine sediments but constitute most of the{open_quote} Dansgaard-Oeschger events{close_quote} found in the ice. A simplified model coupling an ice-sheet and an ocean basin, to illustrate how the interactions between these two components can lead to such a hierarchical structure. The ice-sheet model exhibits internal oscillations composed of growing phases and basal ice melting phases that induce massive iceberg discharges. These fresh water inputs in the ocean stop for a moment the thermohaline circulation, enhancing the temperature contrast between low- and high-latitudes. Just after this event, the thermohaline circulation restarts and an abrupt warming of high-latitude regions is observed. For some parameter values, these warmer temperatures have some influence on the ice-sheet, inducing secondary oscillations similar to those found in paleoclimatic records. Although the mechanism presented here may be too grossly simplified. it nevertheless underlines the potential importance of the coupling between ice-sheet dynamics and oceanic thermohaline circulation on the structure of the climatic records during the last glacial period. 33 refs., 14 figs., 1 tab.

  16. The coefficient of friction between sea ice and various materials used in offshore structures

    SciTech Connect

    Sacki, H.; Ono, T.; Nakazawa, N.; Sakai, M.; Tanaka, S.

    1986-03-01

    When structures having inclined surfaces, such as cone-type and inclined-pile structures, are constructed in coastal and offshore cold regions, sea ice forces must be considered in their design. In order to estimate these forces, the relationships of the coefficients of static and kinetic friction between sea ice and construction materials must be evaluated. The authors have been conducting, for four years, experiments on the coefficients of friction between sea ice and various commonly used offshore construction materials such as concrete and steel. This paper summarizes the results of this study. The coefficients of friction have been found to be affected by the following: (i) relative velocity (i.e., velocity of construction material relative to sea ice); (ii) sea ice temperature; and (iii) surface roughness of construction material. They have been found to be relatively unaffected by the following; (i) contact area, (ii) normal stress, (iii) growth direction of sea ice, and (iv) water at the sea ice-material interface.

  17. Novel photonic crystal cavities and related structures.

    SciTech Connect

    Luk, Ting Shan

    2007-11-01

    The key accomplishment of this project is to achieve a much more in-depth understanding of the thermal emission physics of metallic photonic crystal through theoretical modeling and experimental measurements. An improved transfer matrix technique was developed to enable incorporation of complex dielectric function. Together with microscopic theory describing emitter radiative and non-radiative relaxation dynamics, a non-equilibrium thermal emission model is developed. Finally, experimental methodology was developed to measure absolute emissivity of photonic crystal at high temperatures with accuracy of +/-2%. Accurate emissivity measurements allow us to validate the procedure to treat the effect of the photonic crystal substrate.

  18. Crystal structure, spectral, thermal and dielectric studies of a new zinc benzoate single crystal

    NASA Astrophysics Data System (ADS)

    Bijini, B. R.; Prasanna, S.; Deepa, M.; Nair, C. M. K.; Rajendra Babu, K.

    2012-11-01

    Single crystals of zinc benzoate with a novel structure were grown in gel media. Sodium metasilicate of gel density 1.04 g/cc at pH 6 was employed to yield transparent single crystals. The crystal structure of the compound was ascertained by single crystal X-ray diffractometry. It was noted that the crystal belongs to monoclinic system with space group P21/c with unit cell parameters a = 10.669(1) , b = 12.995(5) , c = 19.119(3) , and ? = 94.926(3). The crystal was seen to possess a linear polymeric structure along b-axis; with no presence of coordinated or lattice water. CHN analysis established the stoichiometric composition of the crystal. The existence of functional groups present in the single crystal system was confirmed by FT-IR studies. The thermal characteristic of the sample was analysed by TGA-DTA techniques, and the sample was found to be thermally stable up to 280 C. The kinetic and thermodynamic parameters were also determined. UV-Vis spectroscopy corroborated the transparency of the crystal and revealed the optical band gap to be 4 eV. Dielectric studies showed decrease in the dielectric constant of the sample with increase in frequency.

  19. Polarimetric radar observation of ice crystals and aggregates: Backscattering modeling of signatures from C to Ka band

    NASA Astrophysics Data System (ADS)

    Botta, G.; Montopoli, M.; Marzano, F. S.

    2009-04-01

    Hydrometeor classification using polarimetric Doppler weather radar is based on the characteristic polarimetric signature for each hydrometeor class. This signature can be obtained by either experimental campaigns or by proper electromagnetic modelling. Both approaches have advantages and drawbacks: the experimental approach is not easy to conduct as it requires co-located measurements of a weather radar with in-situ sampler (usually installed aboard an aircraft); moreover, it is generally strictly related to the measurement configuration (e.g., frequency, range) it is performed. Of course, experimental campaigns are needed for definitive validation, but the modelling approach exhibits a high flexibility in terms of system and meteorological parameters very well suited for retrieval algorithm design. On the other hand, a model approach is heavily dependent on the model capability to represent hydrometeor volumes in a realistic way. Within the electromagnetic scattering modelling of hydrometeor radar response, a well known technique to simulate the radar backscattering from an ensemble of particle is based on the T-matrix algorithm (Kim, 2006). The T-matrix model is based on the equivalence principle and can ensure numerical convergence for a small set of canonical shapes such as ellipsoids. These shapes are useful to represent raindrops and vertically-oriented small crystals, but are largely unrealistic when dealing with ice aggregates and crystals. In this work we use a different approach to the scattering modelling that fits well for classes like ice crystals and aggregates of different shapes and sizes: the discrete dipole approximation (DDA). The DDA model lets us simulate almost any kind of particle under the hypothesis it can be approximated as a three dimensional array of dipoles that generate the scattering field (the wavelength should be large compared to the distance between dipoles). The DDA code used is DDSCAT, developed by Draine and Flatau (2004), which computes the scattering by a single randomly oriented particle. With this approach a variety of hydrometeor shapes have been simulated: cylindrical ice crystals, aggregates of ice cylinders, snow crystals, mixed-phase particles, etc. From DDA it has been possible to obtain the polarimetric signature for ground-based radars at C and X band for these hydrometeor classes after solving some heavy computational issues. An equivalent spheroid model has been also developed for the ice hydrometeor classes in order to use a T-matrix code, faster than DDA, to simulate ice crystals-equivalent spheroids (Weinman and Kim, 2007). Numerical results will be discussed analyzing the sensitivity of the DDA model to the particle shape, wavelength, size distribution and orientation. The accuracy of T-matrix approximation of the ensemble particle polarimetric signature will be also evaluated within the context of hydrometeor classification schemes based on either fuzzy-logic or Bayesian techniques.

  20. A lifelong Odyssey: from structural and morphological engineering of functional solids to bio-chirogenisis and pathological crystallization

    NASA Astrophysics Data System (ADS)

    Lahav, Meir; Leiserowitz, Leslie

    2015-11-01

    This cooperative endeavour first describes early studies in chemical crystallography, encompassing molecular packing modes, characterization of weak hydrogen bonds, the engineering of functional crystals and monitoring of reaction pathways in molecular crystals by x-ray and neutron diffraction. With the design of ‘tailor-made’ auxiliary molecules, it became possible to correlate molecular enantiomerism and crystal enantiomorphism, to control the early stages of crystal nucleation, to resolve enantiomers by crystallization, induce the precipitation of metastable polymorphs, and shed light on the role played by solvent on crystal growth. With such auxiliaries, the structure of mixed crystals was revised and the ability to perform ‘absolute’ asymmetric synthesis in host centrosymmetric crystals demonstrated. With the introduction of grazing incidence synchrotron x-ray diffraction from liquid surfaces it also became possible to design and characterize crystalline thin film architectures at the air-water interface providing a general insight on the mechanism of crystal nucleation at the molecular level, in particular that of ice and cholesterol. Finally the collective knowhow from these studies were crucial for obtaining homochiral peptides prepared from the polymerization of racemates of amphiphilic amino acids dissolved in aqueous solution, and for experiments towards elucidating the pathological crystallization of cholesterol and the malaria pigment in Plasmodium-infected red blood cells.

  1. Low field domain wall dynamics in artificial spin-ice basis structure

    NASA Astrophysics Data System (ADS)

    Kwon, J.; Goolaup, S.; Lim, G. J.; Kerk, I. S.; Chang, C. H.; Roy, K.; Lew, W. S.

    2015-10-01

    Artificial magnetic spin-ice nanostructures provide an ideal platform for the observation of magnetic monopoles. The formation of a magnetic monopole is governed by the motion of a magnetic charge carrier via the propagation of domain walls (DWs) in a lattice. To date, most experiments have been on the static visualization of DW propagation in the lattice. In this paper, we report on the low field dynamics of DW in a unit spin-ice structure measured by magnetoresistance changes. Our results show that reversible DW propagation can be initiated within the spin-ice basis. The initial magnetization configuration of the unit structure strongly influences the direction of DW motion in the branches. Single or multiple domain wall nucleation can be induced in the respective branches of the unit spin ice by the direction of the applied field.

  2. The relationship of cirrus ice water content, crystal number, and size to vertical velocity: First results from the MACPEX field campaign

    NASA Astrophysics Data System (ADS)

    Luebke, Anna; Avallone, Linnea; Kraemer, Martina

    2013-04-01

    The role of ice clouds in the radiation budget of the atmosphere is difficult to determine owing to the number and variability of the microphysical, and thus radiative, properties involved, as well as the current lack of understanding of how and why some of those variations occur. The microphysical properties of an individual cirrus cloud, such as the ice crystal number, size, and water content (IWC) are vital components for determining that role. However, without the proper understanding, these properties continue to be challenging to describe and parameterize. In this study we will present observations obtained during the 2011 Midlatitude Airborne Cirrus Properties Experiment (MACPEX) that was based in Houston, Texas. Specifically we will compare the microphysical properties of the cirrus observed during MACPEX with the extensive cirrus in situ data sets of Schiller et al. (2008), Krmer et al. (2009), and Luebke et al. (2012). A first look into the data shows that MACPEX is different from the earlier cirrus data sets: higher IWCs were observed together with higher ice crystal numbers at temperatures around 215K, while at around 225K average IWCs were found, but were accompanied by low ice crystal numbers. Further investigation of the meteorological situation and of the role of vertical velocity, freezing mechanism (heterogeneous/homogeneous ice nucleation), and sedimentation of ice crystals will be included to explain the MACPEX observations.

  3. Part A: Cirrus ice crystal nucleation and growth. Part B: Automated analysis of aircraft ice particle data

    NASA Technical Reports Server (NTRS)

    Arnott, William P.; Hallett, John; Hudson, James G.

    1995-01-01

    Specific measurement of cirrus crystals by aircraft and temperature modified CN are used to specify measurements necessary to provide a basis for a conceptual model of cirrus particle formation. Key to this is the ability to measure the complete spectrum of particles at cirrus levels. The most difficult regions for such measurement is from a few to 100 microns, and uses a replicator. The details of the system to automate replicator data analysis are given, together with an example case study of the system provided from a cirrus cloud in FIRE 2, with particles detectable by replicator and FSSP, but not 2DC.

  4. Validation and Determination of Ice Water Content - Radar Reflectivity Relationships during CRYSTAL-FACE: Flight Requirements for Future Comparisons

    NASA Technical Reports Server (NTRS)

    Sayres, D. S.; Smith, J. B.; Pittman, J. V.; Weinstock, E. M.; Anderson, J. G.; Heymsfield, G.; Fridland, A. M.; Ackerman, A. S.

    2007-01-01

    In order for clouds to be more accurately represented in global circulation models (GCM), there is need for improved understanding of the properties of ice such as the total water in ice clouds, called ice water content (IWC), ice particle sizes and their shapes. Improved representation of clouds in models will enable GCMs to better predict for example, how changes in emissions of pollutants affect cloud formation and evolution, upper tropospheric water vapor, and the radiative budget of the atmosphere that is crucial for climate change studies. An extensive cloud measurement campaign called CRYSTAL-FACE was conducted during Summer 2002 using instrumented aircraft and a variety of instruments to measure properties of ice clouds. This paper deals with the measurement of IWC using the Harvard water vapor and total water instruments on the NASA WB-57 high-altitude aircraft. The IWC is measured directly by these instruments at the altitude of the WB-57, and it is compared with remote measurements from the Goddard Cloud Radar System (CRS) on the NASA ER-2. CRS measures vertical profiles of radar reflectivity from which IWC can be estimated at the WB-57 altitude. The IWC measurements obtained from the Harvard instruments and CRS were found to be within 20-30% of each other. Part of this difference was attributed to errors associated with comparing two measurements that are not collocated in time an space since both aircraft were not in identical locations. This study provides some credibility to the Harvard and CRS-derived IWC measurements that are in general difficult to validate except through consistency checks using different measurement approaches.

  5. Synthesis, crystal structure and thermal analysis of a new stilbazolium salt crystal

    NASA Astrophysics Data System (ADS)

    Teng, Bing; Kong, Weijin; Feng, Ke; You, Fei; Cao, Lifeng; Zhong, Degao; Hao, Lun; Sun, Qing; van Smaalen, Sander; Gong, Wenhui

    2015-04-01

    A new organic crystal of 4-N, N-dimethylamino-4'-N'-methyl-stilbazolium benzene sulfonate (DASBS) was synthesized and characterized for the first time. It is a derivative of 4-N, N-dimethylamino-4'-N'-methyl-stilbazolium tosylate (DAST) with the benzene sulfonate replacing p-toluenesulfonate. Single crystal XRD demonstrated that the crystal structure of DASBSH2O was triclinic. The thermal analysis of this new crystal was also conducted, and the melting point was obtained to be 232C.

  6. The Effect of Stochastic Cloud Structure on the Icing Process.

    NASA Astrophysics Data System (ADS)

    Jameson, A. R.; Kostinski, A. B.

    2000-09-01

    Current understanding of the icing process through collisions between a surface and supercooled cloud droplets is based upon two factors. First, for a given temperature, when the cloud liquid water content, W, exceeds a critical value, wc (the Schumann-Ludlam limit), the ice that collects, whether on the surface of a hailstone or on the wing of an aircraft, changes from lower densities to values close to that of water. Second, it is assumed that cloud droplets are dispersed in space as uniformly as randomness allows (`Poissonian' clouds).It is now becoming well established, however, that clouds are not Poissonian. Rather, the droplets are `clustered' so that clouds consist of interspersed regions both rich and deficient in droplets. This is significant because it leads to a much broader probability distribution (pdf) of droplet counts than would be the case for a Poissonian cloud. That is, the ratio of the variance to the mean is much greater than unity (the Poissonian value). As a consequence, droplet clustering also produces a bunching or clustering of W as well as leading to `patchy' clouds. This paper explores the effect of this patchiness on the icing process.Results show that clustering is important for at least three reasons. First, it produces a broadening of the pdf of W. Second, this broadening means that W > wc by significant amounts over significant distances even when a Poissonian cloud would exclude such a possibility for the same average water content. Third, these spatial inhomogeneities introduce a `memory' into the icing process that is lacking in Poissonian clouds.

  7. Hydroflux synthesis and crystal structure of new lanthanide tungstate oxyhydroxides

    NASA Astrophysics Data System (ADS)

    Latshaw, Allison M.; Smith, Mark D.; Chance, W. Michael; zur Loye, Hans-Conrad

    2015-04-01

    Single crystals of Na5Ln(OH)6WO4 where Ln = Er, Tm, and Yb were grown out of a NaOH hydroflux. The crystals were characterized by single crystal X-ray diffraction and were found to crystallize in the monoclinic space group I2/a. The lattice parameter ranges for the three structures are a = 11.2024(7) Å-11.2412(6) Å, b = 16.1850(10) Å-16.2220(10) Å, and c = 11.9913(7) Å-12.0323(7) Å while the β angle range is 101.999(2)°-102.025(2)°.

  8. Analysis of the structure and morphology of fenoxycarb crystals.

    PubMed

    Zeglinski, Jacek; Svrd, Michael; Karpinska, Jolanta; Kuhs, Manuel; Rasmuson, ke C

    2014-09-01

    In this paper, we have explored the relationship between surface structure and crystal growth and morphology of fenoxycarb (FC). Experimental vs. predicted morphologies/face indices of fenoxycarb crystals are presented. Atomic-scale surface structures of the crystalline particles, derived from experimentally indexed single crystals, are also modelled. Single crystals of fenoxycarb exhibit a platelet-like morphology which closely matches predicted morphologies. The solvent choice does not significantly influence either morphology or crystal habit. The crystal morphology is dominated by the {001} faces, featuring weakly interacting aliphatic or aromatic groups at their surfaces. Two distinct modes of interaction of a FC molecule in the crystal can be observed, which appear to be principal factors governing the microscopic shape of the crystal: the relatively strong collateral and the much weaker perpendicular bonding. Both forcefield-based and quantum-chemical calculations predict that the aromatic and aliphatic terminated {001} faces have comparably high stability as a consequence of weak intermolecular bonding. Thus we predict that the most developed {001} surfaces of fenoxycarb crystals should be terminated randomly, favouring neither aliphatic nor aromatic termination. PMID:25089714

  9. DNA variability in five crystal structures of d(CGCAATTGCG).

    PubMed

    Valls, Nria; Wright, Glenford; Steiner, Roberto A; Murshudov, Garib N; Subirana, Juan A

    2004-04-01

    The deoxyoligonucleotide d(CGCAATTGCG) has previously been crystallized in four different space groups. The crystals diffract to moderate resolution (2.3-2.9 A). Here, a fifth crystal form that diffracts to higher resolution (1.6 A) is presented which was obtained thanks to the use of Co2+ and cryogenic temperatures. The availability of five different crystal structures allows a thorough analysis of the conformational variability of this DNA sequence. It is concluded that the central hexamer sequence CAATTG has a practically constant conformation under all conditions, whilst the terminal base pairs at both ends vary considerably as a result of differing interactions in the crystals. The new crystal structure presented here is stabilized by guanine-Co2+-guanine interactions and the formation of C1+ -G8.C3 triplexes between neighbouring duplexes. As a result of the higher resolution of