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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. The crystal structure of ice under mesospheric conditions

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin J.; Malkin, Tamsin L.; Salzmann, Christoph G.

    2015-05-01

    Ice clouds form in the summer high latitude mesopause region, which is the coldest part of the Earth's atmosphere. At these very low temperatures (<150 K) ice can exist in metastable forms, but the nature of these ices remains poorly understood. In this paper we show that ice which is grown at mesospherically relevant temperatures does not have a structure corresponding to the well-known hexagonal form or the metastable cubic form. Instead, the ice which forms under mesospheric conditions is a material in which cubic and hexagonal sequences of ice are randomly arranged to produce stacking disordered ice (ice Isd). The structure of this ice is in the trigonal crystal system, rather than the cubic or hexagonal systems, and is expected to produce crystals with aspect ratios consistent with lidar observations.

  3. The structure of ice crystallized from supercooled water

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin

    2013-03-01

    The freezing of water to ice is fundamentally important to fields as diverse as cloud formation to cryopreservation. Traditionally ice was thought to exist in two well-crystalline forms: stable hexagonal ice and metastable cubic ice. It has recently been shown, using X-ray diffraction data, that ice which crystallizes homogeneously and heterogeneously 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 (ice Isd) . This result is consistent with a number of computational studies of the crystallization of water. 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, which raises the question of whether cubic ice exists. New data will be presented which shows significant stacking disorder (or stacking faults on the order of 1 in every 100 layers of ice Ih) in droplets which froze heterogeneously as warm as 257 K. The identification of stacking-disordered ice from heterogeneous ice nucleation supports the hypothesis that the structure of ice that initially crystallises from supercooled water is stacking-disordered ice I, independent of nucleation mechanism, but this ice can relax to the stable hexagonal phase subject to the kinetics of recrystallization. The formation and persistence of stacking disordered ice in the Earth's atmosphere will also be discussed. Funded by the European Research Council (FP7, 240449 ICE)

  4. 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

  5. Triangular ice crystals

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin; Salzmann, Christoph; Heymsfield, Andrew; Neely, Ryan

    2014-05-01

    We are all familiar with the hexagonal form of snow crystals and it is well established that this shape is derived from the arrangement of water molecules in the crystal lattice. However, crystals with a triangular form are often found in the Earth's atmosphere and the reason for this non-hexagonal shape has remained elusive. Recent laboratory work has shed light on why ice crystals should take on this triangular or three-fold scalene habit. Studies of the crystal structure of ice have shown that ice which initially crystallises can be made of up of hexagonal layers which are interlaced with cubic layers to produce a 'stacking disordered ice'. The degree of stacking disorder can vary from crystals which are dominantly hexagonal with a few cubic stacking faults, through to ice where the cubic and hexagonal sequences are fully randomised. The introduction of stacking disorder to ice crystals reduces the symmetry of the crystal from 6-fold (hexagonal) to 3-fold (triangular); this offers an explanation for the long standing problem of why some atmospheric ice crystals have a triangular habit. We discuss the implications of triangular crystals for halos, radiative properties, and also discuss the implications for our understanding of the nucleation and early stages of ice crystal growth for ice crystals in the atmosphere.

  6. 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.

  7. 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

  8. 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

  9. Antarctic stratospheric ice crystals

    SciTech Connect

    Goodman, J. ); Toon, O.B.; Pueschel, R.F.; Snetsinger, K.G. ) Verma, S. )

    1989-11-30

    Ice crystals were replicated over the Palmer Peninsula at approximately 72{degree}S on six occasions during the 1987 Airborne Antarctic Ozone Experiment. The sampling altitude was between 12.5 and 18.5 km (45-65 thousand ft pressure altitude) with the temperature between 190 and 201 K. The atmosphere was subsaturated with respect to ice in all cases. The collected crystals were predominantly solid and hollow columns. The largest crystals were sampled at lower altitudes where the potential temperature was below 400 K. While the crystals were larger than anticipated, their low concentration results in a total surface area that is less than one tenth of the total aerosol surface area. The large ice crystals may play an important role in the observed stratospheric dehydration processes through sedimentation. Evidence of scavenging of submicron particles further suggests that the ice crystals may be effective in the removal of stratospheric chemicals.

  10. 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…

  11. 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

  12. Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

    PubMed Central

    Yu, Xiaohui; Zhu, Jinlong; Du, Shiyu; Xu, Hongwu; Vogel, Sven C.; Han, Jiantao; Germann, Timothy C.; Zhang, Jianzhong; Jin, Changqing; Francisco, Joseph S.; Zhao, Yusheng

    2014-01-01

    Neon hydrate was synthesized and studied by in situ neutron diffraction at 480 MPa and temperatures ranging from 260 to 70 K. For the first time to our knowledge, we demonstrate that neon atoms can be enclathrated in water molecules to form ice II-structured hydrates. The guest Ne atoms occupy the centers of D2O channels and have substantial freedom of movement owing to the lack of direct bonding between guest molecules and host lattices. Molecular dynamics simulation confirms that the resolved structure where Ne dissolved in ice II is thermodynamically stable at 480 MPa and 260 K. The density distributions indicate that the vibration of Ne atoms is mainly in planes perpendicular to D2O channels, whereas their distributions along the channels are further constrained by interactions between adjacent Ne atoms. PMID:25002464

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  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 Central

    Escribano, Rafael M.; Muñoz Caro, Guillermo M.; Cruz-Diaz, Gustavo A.; Rodríguez-Lazcano, Yamilet; Maté, Belén

    2013-01-01

    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. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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

  9. New metastable form of ice and its role in the homogeneous crystallization of water

    NASA Astrophysics Data System (ADS)

    Russo, John; Romano, Flavio; Tanaka, Hajime

    2014-07-01

    The homogeneous crystallization of water at low temperature is believed to occur through the direct nucleation of cubic (Ic) and hexagonal (Ih) ices. Here, we provide evidence from molecular simulations that the nucleation of ice proceeds through the formation of a new metastable phase, which we name Ice 0. We find that Ice 0 is structurally similar to the supercooled liquid, and that on growth it gradually converts into a stacking of Ice Ic and Ih. We suggest that this mechanism provides a thermodynamic explanation for the location and pressure dependence of the homogeneous nucleation temperature, and that Ice 0 controls the homogeneous nucleation of low-pressure ices, acting as a precursor to crystallization in accordance with Ostwald’s step rule of phases. Our findings show that metastable crystalline phases of water may play roles that have been largely overlooked.

  10. 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

  11. 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 -10°C and -25°C, 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. The convective dynamics of a suspension of ice crystals

    NASA Astrophysics Data System (ADS)

    Rees Jones, David; Wells, Andrew

    2014-11-01

    The formation of solid crystals from a liquid cooled beneath its freezing temperature occurs in a wide range of environmental and industrial situations, such as in the formation of so-called ``frazil ice'' in rivers and the polar oceans. Eddies in the fluid flow act to keep the crystals suspended, while the relative buoyancy of the crystals causes them to rise, eventually sedimenting to form a layer of ice, called grease ice in the oceans. Here, we consider the interaction between the fluid dynamics of a suspension of crystals and the thermodynamics of phase change governing the growth and melting of the crystals. The crystals grow when the local temperature lies below the freezing temperature and melt when it lies above. We explore simplified scenarios that illustrate the important features of this multiphase flow and the effect of this ``active suspension'' on heat transfer. This research is funded by the John Fell Oxford University Press (OUP) Research Fund.

  20. 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

  1. 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.

  2. The Backscattering Linear Depolarization Ratio of Ice Clouds Composed of Small Ice Crystals

    NASA Astrophysics Data System (ADS)

    Schnaiter, M.; Abdelmonem, A.; Benz, S.; Leisner, T.; Möhler, O.; Wagner, R.

    2009-04-01

    The importance of small ice crystals (< 50 µm) for cirrus cloud radiative properties is a matter of controversial debate, mainly because some measurements seemed to clearly overestimate the number concentrations of small ice particles due to particle shattering on the instrument inlets. On the other hand, there is no doubt that small micrometer-sized ice crystals dominate the particle size distributions of contrails and cirrus clouds emerging from contrails. Polarisation LIDAR is frequently used to investigate the microphysics of contrails and contrail cirrus remotely. These investigations reveal unusually high maximum linear depolarization ratios of 0.5 - 0.7. The knowledge of the link between ice crystal depolarization and their size and shape is a prerequisite for the interpretation of these LIDAR data. Since young contrails consist of relatively small ice crystals with sizes typically less than 10 µm, the scattering matrix of these non-spherical particles can be calculated by the T-matrix method. In order to investigate the relation between the linear backscattering depolarization ratio and the microphysical properties of small ice particles that closely resemble those found in contrails and young cirrus, we started to run dedicated ice crystal nucleation and growth experiments at the large cloud simulation chamber AIDA of Forschungszentrum Karlsruhe. Such studies became feasible after the installation of the new in situ laser scattering and depolarization set up SIMONE at the chamber in 2006. The light scattering measurements are analyzed in the context of the microphysical properties of the ice clouds measured by optical cloud particle spectrometers, single particle imaging, and in situ infrared extinction spectroscopy. We compare our experimental results with theoretical results generated by the T-matrix method for finite cylinders. The results give new insight into the scattering depolarisation properties of small ice crystals grown under simulated contrail and cirrus formation conditions.

  3. Three-Dimensional Visualization of Ice Crystals in Frozen Materials by Near-Infrared Imaging Spectroscopy

    NASA Astrophysics Data System (ADS)

    Do, Gab-Soo; Ueno, Shigeaki; Sagara, Yasuyuki; Tsuta, Mizuki; Sugiyama, Junichi

    Micro Slicer Spectral Imaging System (MSSIS) has been applied to observe the three-dimensional(3-D) structure and distribution of ice crystals formed in biological materials. MSSIS is composed of a micro-slicer, near-infrared (NIR) illuminator and spectral imaging system. NIR Spectroscopic analysis using MSSIS confirmed that there are a water absorption band around 965 nm and an ice absorption band around 1025 nm. Spectroscopic images of a frozen agar gel and a piece of raw beef at 1,025 nm were obtained by the MSSIS. These images showed the ice crystals could be clearly distinguished from the other components by the different absorbance. The average area of ice crystals was 6,253 μm2, and the average distances of major and minor axis were 111μm and 62μm respectively. In addition, the 3-D re-constructed image of the ice crystal morphology revealed that they were formed along with the direction of heat transfer. The proposed method provided a novel tool to investigate the effects of freezing conditions on the size, morphology and distribution of ice crystals.

  4. 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.

  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. 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

  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. A Multiscale simulation method for ice crystallization and frost growth

    NASA Astrophysics Data System (ADS)

    Yazdani, Miad

    2015-11-01

    Formation of ice crystals and frost is associated with physical mechanisms at immensely separated scales. The primary focus of this work is on crystallization and frost growth on a cold plate exposed to the humid air. The nucleation is addressed through Gibbs energy barrier method based on the interfacial energy of crystal and condensate as well as the ambient and surface conditions. The supercooled crystallization of ice crystals is simulated through a phase-field based method where the variation of degree of surface tension anisotropy and its mode in the fluid medium is represented statistically. In addition, the mesoscale width of the interface is quantified asymptotically which serves as a length-scale criterion into a so-called ``Adaptive'' AMR (AAMR) algorithm to tie the grid resolution at the interface to local physical properties. Moreover, due to the exposure of crystal to humid air, a secondary non-equilibrium growth process contributes to the formation of frost at the tip of the crystal. A Monte-Carlo implementation of Diffusion Limited Aggregation method addresses the formation of frost during the crystallization. Finally, a virtual boundary based Immersed Boundary Method (IBM) is adapted to address the interaction of ice crystal with convective air during its growth.

  9. 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 8o×4o 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 (77.45°N 51.06°W) 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.

  10. 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.

  11. 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.

  12. Radiative sensitivities of tropical anvils to small ice crystals

    NASA Astrophysics Data System (ADS)

    Zender, Charles S.; Kiehl, J. T.

    1994-12-01

    Stratiform anvils in the upper tropical troposphere were simulated to determine the sensitivities of their radiative properties to the presence of small ice crystals. Cloud evolution was modeled in a one-dimensional (vertical) framework incorporating an updraft, deposition, sublimation, sedimentation, nucleation, and radiation. The sensitivities of cloud radiative forcing, albedo, emissivity, and heating rate were derived from a test that included and then excluded the presence of numerous small crystals. These crystals sizes (3 < L < 20 μm) have been measured in recent observations but are smaller than the detection limit of most past observations. The shortwave forcing and albedo were very sensitive to the presence of the small crystals, even though these crystals accounted for less than 2% of total cloud mass. For optically thick anvils the longwave forcing and emissivity were, in general, much less sensitive to the small ice crystals than their shortwave counterparts. Radiative treatments assuming a hexagonal crystal habit yielded the same sensitivities as the spherical habit. The results agreed with previous studies in that the increased backscatter from hexagonal crystals enhanced the planetary albedo by ˜10-15%. The heating rate sensitivity to the small crystals depended on vertical location within the cloud and showed cancelation between the longwave and the shortwave heating perturbations. The small crystals changed heating rates by up to 50% at cloud top and base.

  13. 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.

  14. 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.

  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. 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

  17. 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

  18. 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

  19. 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

  20. 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 ˜-18.5°C 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 μm.

  1. 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

  2. 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.

  3. 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.

  4. 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, Kültegin; 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.

  5. Dynamic pressure-induced dendritic and shock crystal growth of ice VI

    PubMed Central

    Lee, Geun Woo; Evans, William J.; Yoo, Choong-Shik

    2007-01-01

    Crystal growth mechanisms are crucial to understanding the complexity of crystal morphologies in nature and advanced technological materials, such as the faceting and dendrites found in snowflakes and the microstructure and associated strength properties of structural and icy planetary materials. In this article, we present observations of pressure-induced ice VI crystal growth, which have been predicted theoretically, but had never been observed experimentally to our knowledge. Under modulated pressure conditions in a dynamic-diamond anvil cell, rough single ice VI crystal initially grows into well defined octahedral crystal facets. However, as the compression rate increases, the crystal surface dramatically changes from rough to facet, and from convex to concave because of a surface instability, and thereby the growth rate suddenly increases by an order of magnitude. Depending on the compression rate, this discontinuous jump in crystal growth rate or “shock crystal growth” eventually produces 2D carpet-type fractal morphology, and moreover dendrites form under sinusoidal compression, whose crystal morphologies are remarkably similar to those predicted in theoretical simulations under a temperature gradient field. The observed strong dependence of the growth mechanism on compression rate, therefore, suggests a different approach to developing a comprehensive understanding of crystal growth dynamics. PMID:17296943

  6. 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.

  7. 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.

  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. Structure and dynamics of amorphous water ice

    NASA Technical Reports Server (NTRS)

    Laufer, D.; Kochavi, E.; Bar-Nun, A.; Owen, T. (Principal Investigator)

    1987-01-01

    Further insight into the structure and dynamics of amorphous water ice, at low temperatures, was obtained by trapping in it Ar, Ne, H2, and D2. Ballistic water-vapor deposition results in the growth of smooth, approximately 1 x 0.2 micrometer2, ice needles. The amorphous ice seems to exist in at least two separate forms, at T < 85 K and at 85 < T < 136.8 K, and transform irreversibly from one form to the other through a series of temperature-dependent metastable states. The channels formed by the water hexagons in the ice are wide enough to allow the free penetration of H2 and D2 into the ice matrix even in the relatively compact cubic ice, resulting in H2-(D2-) to-ice ratios (by number) as high as 0.63. The larger Ar atoms can penetrate only into the wider channels of amorphous ice, and Ne is an intermediate case. Dynamic percolation behavior explains the emergence of Ar and Ne (but not H2 and D2) for the ice, upon warming, in small and big gas jets. The big jets, each containing approximately 5 x 10(10) atoms, break and propel the ice needles. Dynamic percolation also explains the collapse of the ice matrix under bombardment by Ar , at a pressure exceeding 2.6 dyn cm-2, and the burial of huge amounts of gas inside the collapsed matrix, up to an Ar-to-ice of 3.3 (by number). The experimental results could be relevant to comets, icy satellites, and icy grain mantles in dense interstellar clouds.

  10. High yield, single crystal ice via the Bridgman method

    NASA Astrophysics Data System (ADS)

    Bisson, Patrick; Groenzin, Henning; Barnett, Irene Li; Shultz, Mary Jane

    2016-03-01

    The surface chemistry of ice and of water is an important topic of study, especially given the role of ice and water in shaping the environment. Although snow, granular, and polycrystalline ice are often used in research, there are applications where large surface areas of a known crystallographic plane are required. For example, fundamental spectroscopy or scattering studies rely on large area samples of known crystalline orientation. In addition, due to its slower dynamics and decreased number of molecular configurations, ice can be viewed as a reduced complexity model for the complex hydrogen bonding environment found at the surface and within the bulk of liquid water. In our studies using Sum Frequency Generation (SFG) vibrational spectroscopy, we have shown that each crystalline face has a unique spectral signature and therefore a unique chemistry and chemical activity. A reliable, reproducible, high performance method of producing large single crystal samples is needed to support this surface chemistry research. The design, construction, and use of a computer-controlled, ice-growth machine based on the Stockbarger modified Bridgeman technique is described. The instrument reliably produces relatively large single crystals that are optically flawless (that is, no visible flaws when viewed in a crossed polarizer), and in very high yield. Success rates of 95% are typical. Such performance has not been observed in the literature.

  11. High yield, single crystal ice via the Bridgman method.

    PubMed

    Bisson, Patrick; Groenzin, Henning; Barnett, Irene Li; Shultz, Mary Jane

    2016-03-01

    The surface chemistry of ice and of water is an important topic of study, especially given the role of ice and water in shaping the environment. Although snow, granular, and polycrystalline ice are often used in research, there are applications where large surface areas of a known crystallographic plane are required. For example, fundamental spectroscopy or scattering studies rely on large area samples of known crystalline orientation. In addition, due to its slower dynamics and decreased number of molecular configurations, ice can be viewed as a reduced complexity model for the complex hydrogen bonding environment found at the surface and within the bulk of liquid water. In our studies using Sum Frequency Generation (SFG) vibrational spectroscopy, we have shown that each crystalline face has a unique spectral signature and therefore a unique chemistry and chemical activity. A reliable, reproducible, high performance method of producing large single crystal samples is needed to support this surface chemistry research. The design, construction, and use of a computer-controlled, ice-growth machine based on the Stockbarger modified Bridgeman technique is described. The instrument reliably produces relatively large single crystals that are optically flawless (that is, no visible flaws when viewed in a crossed polarizer), and in very high yield. Success rates of 95% are typical. Such performance has not been observed in the literature. PMID:27036790

  12. Two Dimensional Ice crystals intercalated between graphene and mica

    NASA Astrophysics Data System (ADS)

    Bampoulis, Pantelis; Siekman, Martin H.; Kooij, E. Stefan; Lohse, Detlef; Zandvliet, Harold J. W.; Poelsema, Bene; Mesa+ Institute for Nanotechnology Team

    The physics and chemistry of the interfacial contact between water and solid surfaces are of the highest fundamental and practical interest in environmental sciences, many biological systems and corrosion effects. Water intercalated between graphene and mica has recently received much interest, even amplified by intriguing intercalation effects and by the evolution of fractals. These confined water layers are argued to be ice-like at room temperature. Due to its good thermal isolation from the environment, as a result of poor perpendicular heat transport through both mica and graphene, this system is uniquely suited for studying the consequences of heat transport, due to latent heat effects, during growth and melting of 2D ice crystals. The enigmatic growth of ice crystals poses a longstanding fundamental problem and its solution is possibly hidden in influences of heat and particle transport. Indeed, we find that heat and particle transport play a crucial role in the growth of ice crystals under high-temperature and high supersaturation conditions.

  13. 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.

  14. Reconfigurable wave band structure of an artificial square ice

    NASA Astrophysics Data System (ADS)

    Iacocca, Ezio; Gliga, Sebastian; Stamps, Robert L.; Heinonen, Olle

    2016-04-01

    Artificial square ices are structures composed of magnetic nanoelements arranged on the sites of a two-dimensional square lattice, such that there are four interacting magnetic elements at each vertex, leading to geometrical frustration. Using a semianalytical approach, we show that square ices exhibit a rich spin-wave band structure that is tunable both by external magnetic fields and the magnetization configuration of individual elements. Internal degrees of freedom can give rise to equilibrium states with bent magnetization at the element edges leading to characteristic excitations; in the presence of magnetostatic interactions these form separate bands analogous to impurity bands in semiconductors. Full-scale micromagnetic simulations corroborate our semianalytical approach. Our results show that artificial square ices can be viewed as reconfigurable and tunable magnonic crystals that can be used as metamaterials for spin-wave-based applications at the nanoscale.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. Components of ice nucleation structures of bacteria.

    PubMed Central

    Turner, M A; Arellano, F; Kozloff, L M

    1991-01-01

    Nonprotein components attached to the known protein product of the inaZ gene of Pseudomonas syringae have been identified and shown to be necessary for the most efficient ice nucleation of supercooled H2O. Previous studies have shown that cultures of Ina+ bacteria have cells with three major classes of ice-nucleating structures with readily differentiated activities. Further, some cells in the culture have nucleating activities intermediate between those of the different classes and presumably have structures that are biosynthetic intermediates between those of the different classes. Since these structures cannot be readily isolated and analyzed, their components have been identified by the use of specific enzymes or chemical probes, by direct incorporation of labeled precursors, and by stimulation of the formation of specific classes of freezing structures by selective additions to the growth medium. From these preliminary studies it appears that the most active ice nucleation structure (class A) contains the ice nucleation protein linked to phosphatidylinositol and mannose, probably as a complex mannan, and possibly glucosamine. These nonprotein components are characteristic of those used to anchor external proteins to cell membranes of eucaryotic cells and suggest that a similar but not identical anchoring mechanism is required for efficient ice nucleation structure. The class B structure has been found to contain protein presumably linked to the mannan and glucosamine moieties but definitely not to the phosphatidylinositol. The class C structure, which has the poorest ice nucleation activity, appears to be the ice nucleation protein linked to a few mannose residues and to be partially imbedded in the outer cell membrane. Images FIG. 1 FIG. 2 FIG. 5 FIG. 9 FIG. 15 FIG. 16 PMID:1917876

  1. The dynamics of a suspension of solidifying, buoyant ice crystals

    NASA Astrophysics Data System (ADS)

    Rees Jones, David; Wells, Andrew

    2015-11-01

    In a wide range of geophysical and industrial situations, the solidification of a liquid melt occurs through the growth of solid crystals suspended in the melt. For example, so-called frazil ice crystals form by freezing of the polar oceans, and crystals also form in the interior of solidifying magma chambers. The growth of these crystals is dynamically coupled to the fluid flow: advection enhances the transport and removal of latent heat that controls crystal growth, whilst the particles provide hydrodynamic feedbacks on the flow. The crystal density is typically different to the liquid density, which induces relative motion, and crystals may also induce density gradients within the liquid itself through the temperature field. We develop scaling arguments for the relative importance of crystal growth, agglomeration, nucleation and transport as a function of particle size and properties of the fluid flow. We introduce a new framework for the direct numerical simulation of the coupling of solidifying, buoyant particles to the fluid flow using a Lattice Boltzmann Method and present results for idealized test cases motivated by our scaling analysis.

  2. 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.

  3. 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.

  4. 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.


  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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.

  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. Structures beyond crystals

    NASA Astrophysics Data System (ADS)

    Hargittai, István

    2010-07-01

    Dan Shechtman made a seminal observation of the appearance on "non-crystallographic" symmetry in an alloy at the US National Bureau of Standards on April 8, 1982. This day has become known as the date of the discovery of quasicrystals. It was not easy to gain recognition for this discovery and the first printed report about it appeared two and a half years after the observation, which then was followed by an avalanche of publications. This was as if theoreticians and other experimentalists had only been waiting for a pioneer to come out with this revolutionary experiment. The discovery of quasicrystals just as the discovery of the structure of biological macromolecules was part of the development in which the framework of classical crystallography was crumbling and generalized crystallography—the science of structures—has emerged that had long been advanced by J. Desmond Bernal and his pupils. The discovery of quasicrystals offers some lessons about the nature of scientific discovery. This contribution presents selected aspects of the recognition of the importance of structures beyond crystals and is by far not a complete history of the areas involved.

  16. Cryo-Microscopic Analysis of the Effects of Extra Cellular Proteins on Polycrystalline Ice Structure

    NASA Astrophysics Data System (ADS)

    Brox, T.; Skidmore, M. L.; Christner, B. C.; Achberger, A.

    2010-12-01

    Recent work has demonstrated that microorganisms can occupy the liquid filled inter-crystalline veins in ice and maintain their metabolic activity under these conditions. While these discoveries have increased the extent of the biosphere to include the large continental ice sheets of Antarctica and Greenland as biomes, the habitat of the microorganisms within the inter-crystalline liquid veins is poorly understood. Certain cold tolerant organisms produce extra cellular proteins (i.e., ice-binding proteins) that have the ability to bind to the prism face of an ice crystal and inhibit recrystallization of ice. This phenotype affects the physical ice structure and the liquid vein network, potentially providing ice-inhabiting species a protective mechanism with which to control their habitat. One such microorganism is Chryseobacterium sp. V3519-10, a bacterium isolated from a depth of 3519 m in the Vostok Ice Core. Our investigation is examining the impact of extra cellular proteins from this ice-adapted bacterium on the formation of ice crystals and characterizing the inter-crystalline liquid filled vein network using cryo-microscopy.

  17. 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

  18. Structure and energetics of extended defects in ice Ih

    NASA Astrophysics Data System (ADS)

    Silva Junior, Domingos L.; de Koning, Maurice

    2012-01-01

    We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

  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. 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

  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. 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.

  3. 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.

  4. 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.

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

    NASA Astrophysics Data System (ADS)

    Farrington, Robert J.; Connolly, Paul J.; Lloyd, Gary; Bower, Keith N.; Flynn, Michael J.; Gallagher, Martin W.; Field, Paul R.; Dearden, Chris; Choularton, Thomas W.

    2016-04-01

    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 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 nucleating particle (INP) concentration, secondary ice multiplication and the advection of surface ice crystals into orographic clouds. We find that increasing INP 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 flux of surface 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.

  6. Anchor ice and benthic disturbance in shallow Antarctic waters: interspecific variation in initiation and propagation of ice crystals.

    PubMed

    Denny, Mark; Dorgan, Kelly M; Evangelista, Dennis; Hettinger, Annaliese; Leichter, James; Ruder, Warren C; Tuval, Idan

    2011-10-01

    Sea ice typically forms at the ocean's surface, but given a source of supercooled water, an unusual form of ice--anchor ice--can grow on objects in the water column or at the seafloor. For several decades, ecologists have considered anchor ice to be an important agent of disturbance in the shallow-water benthic communities of McMurdo Sound, Antarctica, and potentially elsewhere in polar seas. Divers have documented anchor ice in the McMurdo communities, and its presence coincides with reduced abundance of the sponge Homaxinella balfourensis, which provides habitat for a diverse assemblage of benthic organisms. However, the mechanism of this disturbance has not been explored. Here we show interspecific differences in anchor-ice formation and propagation characteristics for Antarctic benthic organisms. The sponges H. balfourensis and Suberites caminatus show increased incidence of formation and accelerated spread of ice crystals compared to urchins and sea stars. Anchor ice also forms readily on sediments, from which it can grow and adhere to organisms. Our results are consistent with, and provide a potential first step toward, an explanation for disturbance patterns observed in shallow polar benthic communities. Interspecific differences in ice formation raise questions about how surface tissue characteristics such as surface area, rugosity, and mucus coating affect ice formation on invertebrates. PMID:22042434

  7. 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.

  8. Soap Froths and Crystal Structures

    NASA Astrophysics Data System (ADS)

    Ziherl, P.; Kamien, Randall D.

    2000-10-01

    We propose a physical mechanism to explain the crystal symmetries found in macromolecular and supramolecular micellar materials. We argue that the packing entropy of the hard micellar cores is frustrated by the entropic interaction of their brushlike coronas. The latter interaction is treated as a surface effect between neighboring Voronoi cells. The observed crystal structures correspond to the Kelvin and Weaire-Phelan minimal foams. We show that these structures are stable for reasonable areal entropy densities.

  9. Soap froths and crystal structures

    NASA Astrophysics Data System (ADS)

    Ziherl, P.; Kamien, Randall D.

    2001-03-01

    We propose a physical mechanism to explain the crystal symmetries found in macromolecular and supramolecular micellar materials. We argue that the packing entropy of the hard micellar cores is frustrated by the entropic interaction of their brush-like coronas. The latter interaction is treated as a surface effect between neighboring Voronoi cells. The observed crystal structures correspond to the Kelvin and Weaire-Phelan minimal foams. We show that these structures are stable for reasonable areal entropy densities.

  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. Enhanced high-temperature ice nucleation ability of crystallized aerosol particles after preactivation at low temperature

    NASA Astrophysics Data System (ADS)

    Wagner, Robert; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin

    2014-07-01

    In cloud chamber experiments with crystallized aqueous ammonium sulfate, oxalic acid, and succinic acid solution droplets, we have studied a preactivation mechanism that markedly enhances the particles' heterogeneous ice nucleation ability. 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 preactivated particles occurred via depositional and deliquescence-induced ice growth, with ice active fractions ranging from 1 to 4% and from 4 to 20%, respectively. Preactivation 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.

  13. Numerical simulation of the scavenging rates of ice crystals of various microphysical characteristics

    NASA Astrophysics Data System (ADS)

    Pitter, Richard L.; Zhang, Renyi

    1991-06-01

    Numerical models of trajectories of small aerosol spheres relative to oblate spheroids were used to determine ice crystal scavenging efficiencies. The models included the effects of aerodynamic flow about the ice particle, gravity, aerosol particle inertia and drag and electrostatic effects. Two electric configurations of the ice particle were investigated in detail. The first applied a net charge to the ice particle, of magnitude equal to the mean thunderstorm charge distribution, while the second applied a charge distribution, with no net charge, to the ice particle to model the electric multipole charge distribution. The results show that growing ice crystals with electric multipoles are better scavengers than single ice crystals with net thunderstorm charges, especially in the Greenfield gap (0.1 to 1.0 μm), and that larger single crystals are better scavengers than smaller single crystals. The results also show that the low density ice crystals are more effective scavengers with net charges than they are with charge distribution.

  14. 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.

  15. Sensitivity Studies For Cirrus Effective Ice Crystal Size Retrieval In The Infrared

    NASA Astrophysics Data System (ADS)

    Radel, G.; Stubenrauch, C.; Holz, R.; Mitchell, D.

    During the last years, much effort has been made to find a realistic description of the single-scattering properties of non-spherical ice crystals of cirrus clouds explicitely in dependence of ice crystal shape and size distribution. By using single scattering properties of non-spherical ice crystals instead of ice spheres, one observes that the spectral region between 8 and 12 micron offers a possibility of effective ice crystal size retrieval. The difference between cirrus emissivities at these wavelengths is sen- sitive to the mean ice crystal size of the cirrus cloud. At present, we use two different sets of ice crystal single scattering properties in the infrared: one for randomly oriented planar polycrystals and the other for hexagonal columns. For planar polycrystals, mod- ified Anomalous Diffraction Approximation (mADA) is used to describe absorption coefficients as analytical expressions of size distribution parameters, ice crystal shape, wavelength and refractive index, taking into account a parameterized correction for internal reflection and refraction. As scattering cannot be calculated through mADA, scattering contributions are obtained from different combinations of Improved Geo- metric Optics and Finite Difference Time Domain. For hexagonal columns the single scattering properties have been computed using the Finite Difference Time Domain method. Retrievals of mean effective ice crystal sizes in the infrared have the advan- tage that they are less dependent on the assumed shape of the ice crystals, in contrary to retrievals from differences between the visible and near-infrared radiation. Several satellite instruments measure now emitted and scattered radiation from different lev- els of the atmosphere. The longest time period is covered by the TOVS instruments aboard the NOAA Polar Orbiting Environmental Satellites (since 1979). These obser- vations have been converted into atmospheric temperature and water vapor profiles as well as cloud and surface properties by the Improved Initialization Inversion (3I) algorithm within the framework of the NOAA/NASA Pathfinder Program. Recently, the MODIS instrument started to take data. For the TOVS ice crystal size retrieval, cirrus emissivities at 8 micron and 11 micron are computed from the measured bright- ness temperatures, the cloud-top temperature and the surface temperature, and then compared to look-up tables which relate these emissivity pairs to the mean effective ice crystal diameter from simulations with a radiative transfer model using the differ- ent single scattering properties. We present the sensitivity of ice crystal size retrieval 1 to uncertainties in single scattering properties, hypotheses on size distributions and vertical heterogeneities. 2

  16. 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

  17. Morphological investigations of disaccharide molecules for growth inhibition of ice crystals

    NASA Astrophysics Data System (ADS)

    Uchida, Tsutomu; Nagayama, Masafumi; Shibayama, Tamaki; Gohara, Kazutoshi

    2007-02-01

    Freezing of solutions including disaccharides (trehalose, sucrose, and maltose) has been investigated by microscopic observations of freeze-fractured replicas using FE-TEM. Three typical features were observed: the smooth surface considered as the ice crystal, fine particles as the precipitated disaccharide molecules, and remaining part as the glass state of the solution. The expanded observations of fine particle and its distribution investigations suggested that it was larger than 10 nm in size and averaged approximately 20-30 nm in diameter. The smallest particle was estimated to include several hundred disaccharide molecules. Based on systematic observations of trehalose solutions regarding concentrations and freezing rates, we concluded that ice crystal growth was inhibited by trehalose molecules. Since the ice crystal size reduced exponentially with increase in trehalose concentration, we could control ice crystal size formed in the frozen material. The growth inhibition of ice crystals with trehalose resulted both from a reduction in the free water in the solution due to a significant hydration effect and from an enhancement of nucleation of the ice crystals. It was confirmed that trehalose was more effective than the other disaccharide solutions examined for inhibiting the growth of ice crystals.

  18. 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.

  19. Effects of ice crystals on the FSSP measurements in mixed phase clouds

    NASA Astrophysics Data System (ADS)

    Febvre, G.; Gayet, J.-F.; Shcherbakov, V.; Gourbeyre, C.; Jourdan, O.

    2012-03-01

    In this paper, we show that in mixed phase clouds FSSP-100 measurements may be contaminated by ice crystals, inducing wrong interpretation of particle size and subsequent bulk parameters. This contamination is generally revealed by a bimodal feature of the particle size distribution; in other words, in mixed phase clouds bimodal features could be an indication of the presence of ice particles. The combined measurements of the FSSP-100 and the Polar Nephelometer give a coherent description of the effect of the ice crystals on the FSSP-100 response. The FSSP-100 particle size distributions are characterized by a bimodal shape with a second mode peaked between 25 and 35 μm related to ice crystals. This feature is observed with the FSSP-100 at airspeed up to 200 m s-1 and with the FSSP-300 series. In order to assess the size calibration for clouds of ice crystals the response of the FSSP-100 probe has been numerically simulated using a light scattering model of randomly oriented hexagonal ice particles and assuming both smooth and rough crystal surfaces. The results suggest that the second mode measured between 25 μm and 35 μm, does not necessarily represent true size responses but likely corresponds to bigger aspherical ice particles. According to simulation results, the sizing understatement would be neglected in the rough case but would be major with the smooth case. Qualitatively, the Polar Nephelometer phase function suggests that the rough case is the more suitable to describe real crystals. Quantitatively, however, it is difficult to conclude. Previous cloud in situ measurements suggest that the FSSP-100 secondary mode, peaked in the range 25-35 μm, is likely to be due to the shattering of large ice crystals on the probe tips. This finding is supported by the rather good relationship between the concentration of particles larger than 20 μm (hypothesized to be ice shattered-fragments measured by the FSSP) and the concentration of (natural) ice particles larger than 100 μm (CPI data). The shattering efficiency is defined as the ratio of the measured ice shattered-fragments to the number of natural ice particles (with d>100 μm) impacting the probe leading edge. In the present study the shattering efficiency is evaluated to ~7%. It is found that about 400 ice fragments may result from the shattering of one equivalent irregular shaped ice crystal with a mean volume diameter of 310 μm. Obviously, these values could be strongly dependent on the inlet design, the airspeed and the robustness of ice crystals via the impact kinetic energy to surface energy ratio providing the particle breakup.

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

    DOE PAGESBeta

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

    2016-03-03

    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 donemore » 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. In conclusion, 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.« less

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. Structure of Water Ice in the Solar System

    NASA Technical Reports Server (NTRS)

    Blake, David; Jenniskens, Peter; Chang, Sherwood (Technical Monitor)

    1996-01-01

    Nearly all of the properties of solar system ices (chemical reaction rates, volatile retention and release, vaporization behavior, thermal conductivity, infrared spectral characteristics and the like) are a direct consequence of ice structure. However, the characterization of astrophysical ices and their laboratory analogs has typically utilized indirect measurements which yield phenomenological interpretations. When water ice is vapor-deposited at 14 K and warmed until it volatilizes in moderate vacuum, the ice undergoes a series of amorphous to amorphous and amorphous to crystalline structural transitions which we have characterized by diffraction methods. These structural transitions correlate with and underlie many phenomena observed in laboratory infrared and gas release experiments. The elucidation of the dynamic structural changes which occur in vapor-deposited water ice as a function of time, temperature and radiation history allows for the more complete interpretation of remote observations of astrophysical ices and their laboratory analogs.

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

    NASA Astrophysics Data System (ADS)

    Albrechtsen, Dan E.; Olsen, Andreas E.; Pedersen, Ulf R.; Schrøder, 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 Wahnström 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.

  8. Some effects of ice crystals on the FSSP measurements in mixed phase clouds

    NASA Astrophysics Data System (ADS)

    Febvre, G.; Gayet, J.-F.; Shcherbakov, V.; Gourbeyre, C.; Jourdan, O.

    2012-10-01

    In this paper, we show that in mixed phase clouds, the presence of ice crystals may induce wrong FSSP 100 measurements interpretation especially in terms of particle size and subsequent bulk parameters. The presence of ice crystals is generally revealed by a bimodal feature of the particle size distribution (PSD). The combined measurements of the FSSP-100 and the Polar Nephelometer give a coherent description of the effect of the ice crystals on the FSSP-100 response. The FSSP-100 particle size distributions are characterized by a bimodal shape with a second mode peaked between 25 and 35 μm related to ice crystals. This feature is observed with the FSSP-100 at airspeed up to 200 m s-1 and with the FSSP-300 series. In order to assess the size calibration for clouds of ice crystals the response of the FSSP-100 probe has been numerically simulated using a light scattering model of randomly oriented hexagonal ice particles and assuming both smooth and rough crystal surfaces. The results suggest that the second mode, measured between 25 μm and 35 μm, does not necessarily represent true size responses but corresponds to bigger aspherical ice particles. According to simulation results, the sizing understatement would be neglected in the rough case but would be significant with the smooth case. Qualitatively, the Polar Nephelometer phase function suggests that the rough case is the more suitable to describe real crystals. Quantitatively, however, it is difficult to conclude. A review is made to explore different hypotheses explaining the occurrence of the second mode. However, previous cloud in situ measurements suggest that the FSSP-100 secondary mode, peaked in the range 25-35 μm, is likely to be due to the shattering of large ice crystals on the probe inlet. This finding is supported by the rather good relationship between the concentration of particles larger than 20 μm (hypothesized to be ice shattered-fragments measured by the FSSP) and the concentration of (natural) ice particles (CPI data). In mixed cloud, a simple estimation of the number of ice crystals impacting the FSSP inlet shows that the ice crystal shattering effect is the main factor in observed ice production.

  9. 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.

  10. Changing structures and dynamics of western Antarctic Peninsula Ice Shelves

    NASA Astrophysics Data System (ADS)

    Glasser, N. F.; Holt, T. O.; Quincey, D. J.; Fricker, H.; Siegfried, M. R.

    2013-12-01

    Over the last three decades, Antarctic Peninsula Ice Shelves have shown a pattern of sustained retreat, often ending in catastrophic and rapid breakup. This study provides a detailed analysis of the structures and dynamics of three western Antarctic Peninsula ice shelves: Bach, Stange and George VI Ice Shelves. Spatial extent and glaciological surface features were mapped for each ice shelf from 1973 to 2010 using optical and radar satellite images to assess their structural evolution, historical dynamics and stability. InSAR and feature-tracking methods were used to assess the recent dynamic configurations of the ice shelves from 1989 to 2010. Repeat ICESat measurements were used to evaluate their vertical changes from 2003 to 2008. On Bach Ice Shelf, the formation of two large fractures near the ice front is linked to widespread thinning (~2 ma-1) and sustained retreat (~360 km2). It looks likely that iceberg calving along these fractures will alter the frontal geometry sufficiently to promote enhanced, irreversible retreat within the next decade. On George VI Ice Shelf, acceleration is observed at both ice fronts; linked to a release of back-stresses through continued ice loss (1995 km2 in total). The most significant changes are recorded at its southern ice front, with ice flow accelerating up to 360% between ca. 1989 and ca. 2010, coupled with widespread rifting and a mean thinning rate of 2.1 ma-1. On Stange Ice Shelf, shear-induced fracturing was observed between two flow units, also linked to widespread thinning (~4.2 ma-1). A semi-quantitative assessment reveals that the southern margin of George VI Ice Shelf is most susceptible to rapid retreat, whilst its northern ice front, Bach Ice Shelf and the northern front of Stange Ice Shelf are more vulnerable than those situated on the east Antarctic Peninsula.

  11. 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

  12. 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.

  13. 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.

  14. 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 Mac OS X operating systems, and is particularly suitable for multiple-core processors. PMID:25567568

  15. 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 Mac OS X operating systems, and is particularly suitable for multiple-core processors. PMID:25567568

  16. 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.

  17. 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.

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

    NASA Astrophysics Data System (ADS)

    Schnaiter, M.; Järvinen, 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.

  19. 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

  20. 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

  1. 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.

  2. Mechanisms of dendrites occurrence during crystallization: Features of the ice crystals formation

    NASA Astrophysics Data System (ADS)

    Perel'man, Mark E.; Rubinstein, Galina M.; Tatartchenko, Vitali A.

    2008-05-01

    Dendrites formation in the course of crystallization presents very general phenomenon, which is analyzed in details via the example of ice crystals growth in deionized water. Neutral molecules of water on the surface are combined into the double electric layer (DEL) of oriented dipoles; its field reorients approaching dipoles with observable radio-emission in the range of 150 kHz. The predominant attraction of oriented dipoles to points of gradients of this field induces dendrites growth from them, e.g., formation of characteristic form of snowflakes at free movement of clusters through saturated vapor in atmosphere. The constant electric field strengthens DELs' field and the growth of dendrites. Described phenomena should appear at crystallization of various substances with dipole molecules, features of radio-emission can allow the monitoring of certain processes in atmosphere and in technological processes. Crystallization of particles without constant moments can be stimulated by DELs of another nature with attraction of virtual moments of particles to gradients of fields and corresponding dendrites formation.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

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

    NASA Astrophysics Data System (ADS)

    Schnaiter, Martin; Järvinen, Emma; Vochezer, Paul; Abdelmonem, Ahmed; Wagner, Robert; Jourdan, Olivier; Mioche, Guillaume; Shcherbakov, Valery N.; Schmitt, Carl G.; Tricoli, Ugo; Ulanowski, Zbigniew; Heymsfield, Andrew J.

    2016-04-01

    This study reports on the origin of small-scale 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. Small-scale 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 crystal complexity dominates the microphysics of the simulated clouds and the degree of this complexity is dependent on the available water vapor during the crystal growth. Indications were found that the small-scale 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 Laboratoire de Métérologie et Physique (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. It was found that these functions have a rather low sensitivity to the small-scale 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.

  9. Structural Basis for Antifreeze Activity of Ice-binding Protein from Arctic Yeast*

    PubMed Central

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

    2012-01-01

    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-Å resolution, respectively. Structural analysis of the LeIBPs revealed a dimeric right-handed β-helix fold, which is composed of three parts: a large coiled structural domain, a long helix region (residues 96–115 form a long α-helix that packs along one face of the β-helix), and a C-terminal hydrophobic loop region (243PFVPAPEVV251). 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 Asn185 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 β-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

  10. 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

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  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. 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

  19. 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 -40°C. 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 3.3μm core diameter, 125μm outer diameter and steering wheel-like air hole pattern with triangular symmetry, with a 20μm radius. One end of a 0.6m length of the SW-PCF is placed between two thermoelectric coolers, filled with ~0.1μL 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.

  20. 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.

  1. Crystal Structure of the Ba

    SciTech Connect

    Mironov, A. V.; Istomin, S. Ya.; D'yachenko, O. G.; Antipov, E. V.

    2001-02-15

    The structure of the cation-deficient Ba{sub 4}CeNb{sub 10}O{sub 30} barium cerium reduced niobate with a tetragonal tungsten bronze (TTB) type structure was refined from X-ray single crystal data (tetragonal, a=12.508(2) {angstrom}, c=3.9328(4) {angstrom}, S. G. P4/mbm, Z=1, R=0.019, R{sub w}=0.023). It was found that rare earth substitution for Ba is accompanied by formation of vacancies in A sites. Vacancies were preferably formed in the A (1) cavities in the structure.

  2. 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

  3. 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.

  4. 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.

  5. Ultrasonically triggered freezing of aqueous solutions: Influence of initial oxygen content on ice crystals' size distribution

    NASA Astrophysics Data System (ADS)

    Jabbari-Hichri, Amira; Peczalski, Roman; Laurent, Pierre

    2014-09-01

    Samples of mannitol's aqueous solution at various contents of dissolved oxygen were frozen with the help of ultrasound and the ice crystals size distributions were measured by optical microscopy. Increasing the oxygen content led to a fair decreasing of the average crystals size and an increasing of the homogeneity of the size of crystals within the sample. The average size appeared simply as inversely proportional to the oxygen content in the initial liquid solution.

  6. Structural and dynamic changes of Wilkins Ice Shelf, Antarctic Peninsula

    NASA Astrophysics Data System (ADS)

    Rankl, Melanie; Helm, Veit; Braun, Matthias

    2013-04-01

    Wilkins Ice Shelf (WIS) has shown considerable ice front retreat since 1990. This retreat includes various break-up events, such as recently in 2008 (Feb: 425 km², May: 160 km², Jul: 1220 km²) and in 2009 (790 km²). The break-up events took place under contrasting surface conditions, which indicates potentially different mechanisms for break-up. WIS shows quite specific peculiarities like a high amount of ice rises, highly variable ice thicknesses across the ice shelf, tributary glaciers draining into inlets as well as only limited nourishing by direct inflow from tributary glaciers. The present study aims to better understand the dynamics and mechanisms leading to disintegration and break-up of WIS. We hence investigate satellite data to reveal changes of glaciological structures like fractures and shear margins, the position of the grounding line, changes of frontal positions and ice surface velocities. Very few in situ measurements are available at WIS, which emphasizes the use of satellite data. Especially Synthetic Aperture Radar (SAR) data show high potential for glaciological purposes. We use SAR data (ALOS PALSAR, TerraSAR-X, TanDEM-X, ERS-1/2) in order to calculate surface velocities of the ice shelf and its tributaries at different times using SAR offset tracking procedures. The combined use of TanDEM-X InSAR surface elevations and IceSAT, CryoSat and NASA Ice Bridge ATM data enables the estimation of ice thickness assuming a constant ice density. First results show surface velocities before and after the break-up events in 2008 and 2009 as well as changing flow velocities of tributary glaciers. The combination of InSAR surface elevation and altimeter data allows for a comprehensive estimation of ice thickness across WIS. Both data sets can be used for subsequent ice dynamic modeling and fracture mechanics.

  7. Lattice Boltzmann simulation of water isotope fractionation during ice crystal growth in clouds

    NASA Astrophysics Data System (ADS)

    Lu, Guoping; DePaolo, Donald J.

    2016-05-01

    We describe a lattice Boltzmann (LB) method for simulating water isotope fractionation during diffusion-limited ice crystal growth by vapor deposition from water-oversaturated air. These conditions apply to the growth of snow crystals in clouds where the vapor composition is controlled by the presence of both ice crystals and water droplets. Modeling of water condensation with the LB method has the advantage of allowing concentration fields to evolve based on local conditions so that the controls on grain shapes of the condensed phase can be studied simultaneously with the controls on isotopic composition and growth rate. Water isotope fractionation during snow crystal growth involves kinetic effects due to diffusion of water vapor in air, which requires careful consideration of the boundary conditions at the ice-vapor interface. The boundary condition is relatively simple for water isotopes because the molecular exchange rate for water at the interface is large compared to the crystal growth rate. Our results for the bulk crystal isotopic composition are consistent with simpler models using analytical solutions for radial geometry. However, the model results are sufficiently different for oxygen isotopes that they could affect the interpretation of D-excess values of snow and ice. The extent of vapor oversaturation plays a major role in determining the water isotope fractionation as well as the degree of dendritic growth. Departures from isotopic equilibrium increase at colder temperatures as diffusivity decreases. Dendritic crystals are isotopically heterogeneous. Isotopic variations within individual snow crystals could yield information on the microphysics of ice condensation as well as on the accommodation or sticking coefficient of water associated with vapor deposition. Our results are ultimately a first step in implementing LB models for kinetically controlled condensation or precipitation reactions, but needs to be extended also to cases where the molecular exchange rate is comparable to the crystal growth rate. This approach could also be applicable to aerosol chemical evolution.

  8. Structural mechanisms of the Ih–II and II → Ic transitions between the crystalline phases of aqueous ice

    SciTech Connect

    Zheligovskaya, E. A.

    2015-09-15

    Structural mechanisms are proposed for experimentally observed phase transitions between crystalline modifications of aqueous ice, Ih and II, as well as II and Ic. It is known that the Ih–II transition occurs with the conservation of large structural units (hexagonal channels) common for these ices. It is shown that the Ih → II transition may occur with the conservation of 5/6 of all hydrogen bonds in crystal, including all hydrogen bonds in the retained channels (3/4 of the total number of bonds in crystal) and 1/3 of the bonds between these channels (1/12 of the total number). The transformation of other hydrogen bonds between the retained channels leads to the occurrence of proton order in ice II. A structural mechanism is proposed to explain the transformation of single crystals of ice Ih either into single crystals of ice II or into crystalline twins of ice II with c axes rotated by 180° with respect to each other, which is often observed at the Ih → II transition. It is established that up to 7/12 of all hydrogen bonds are retained at the irreversible cooperative II → Ic transition.

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

    NASA Astrophysics Data System (ADS)

    Voigtlaender, Jens; Herenz, Paul; Chou, Cédric; 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.

  10. 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 λ = 0.55 μm. For these calculations, a width (W) of up to 36 μm and a length (L) of up to 48 μm 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 (Ψ) 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 (χveq) of 90 for all ARs, whereas they were ~0.8% (3.3%) for hexagonal crystals with χveq=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 χveq: 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 (χseq) and ~103 (90; 68; 45; 91; 182) for conventional size parameter (χD). The calculated 46° halo forming χveq of hexagonal crystals with AR=0.5 (1.0; 2.0) were ~58 (49; 92), ~64 (53; 112) for χseq, and ~68 (45; 223) for χD. The intensities of the 22° and 46° halos increased with crystal size for all six ARs. The calculations of Ψ 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.

  11. 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.

  12. 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 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.

  13. [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

  14. 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

  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. 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.

  17. 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. C.; Cai, C.; Nyblade, A.; Wiens, D. A.

    2016-05-01

    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 and 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 give 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 modelling the observed Rayleigh wave dispersion curves using representative firn, ice, water and 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 modelling 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.

  18. 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.

  19. 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.

  20. 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 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 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.

  1. 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.

  2. 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

  3. Influence of snow and ice crystal formation and accumulation on mercury deposition to the Arctic.

    PubMed

    Douglas, Thomas A; Sturm, Matthew; Simpson, William R; Blum, Joel D; Alvarez-Aviles, Laura; Keeler, Gerald J; Perovich, Donald K; Biswas, Abir; Johnson, Kelsey

    2008-03-01

    Mercury is deposited to the Polar Regions during springtime atmospheric mercury depletion events (AMDEs) but the relationship between snow and ice crystal formation and mercury deposition is not well understood. The objective of this investigation was to determine if mercury concentrations were related to the type and formation of snow and ice crystals. On the basis of almost three hundred analyses of samples collected in the Alaskan Arctic, we suggestthat kinetic crystals growing from the vapor phase, including surface hoar, frost flowers, and diamond dust, yield mercury concentrations that are typically 2-10 times higher than that reported for snow deposited during AMDEs (approximately 80 ng/L). Our results show that the crystal type and formation affect the mercury concentration in any given snow sample far more than the AMDE activity prior to snow collection. We present a conceptual model of how snow grain processes including deposition, condensation, reemission, sublimation, and turbulent diffusive uptake influence mercury concentrations in snow and ice. These processes are time dependent and operate collectively to affect the retention and fate of mercury in the cryosphere. The model highlights the importance of the formation and postdeposition crystallographic history of snow or ice crystals in determining the fate and concentration of mercury in the cryosphere. PMID:18441801

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Crystallization of amorphous ice as the cause of Comet P/Halley's outburst at 14 AU

    NASA Technical Reports Server (NTRS)

    Prialnik, D.; Bar-Nun, A.

    1992-01-01

    An explanation is provided for the postperihelion eruption of Comet P/Halley, detected in February 1991 and believed to have started three months earlier, namely, the crystallization of amorphous ice taking place in the interior of the porous nucleus, at depths of a few tens of meters, accompanied by the release of trapped gases. Numerical calculations show that for a bulk density of 0.5 g/cu cm and a pore size of 1 micron crystallization occurs on the outbound leg of Comet P/Halley's orbit, at heliocentric distances between 5 AU and 17 AU. The trapped gas is released and flows to the surface through the porous medium. It may also open wider channels, as the internal pressures obtained surpass the tensile strength of cometary ice. The outflowing gas carries with it grains of ice and dust, and thus can explain the large amounts of dust observed in the coma at 14.3 AU and beyond.

  12. 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.

  13. 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.

  14. 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...

  15. 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.

  16. Seismicity within a propagating ice shelf rift: The relationship between icequake locations and ice shelf structure

    NASA Astrophysics Data System (ADS)

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

    2014-04-01

    Iceberg calving is a dominant mass loss mechanism for Antarctic ice shelves, second only to basal melting. An important 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 apply a suite of passive seismological techniques including icequake locations, back projection, and moment tensor inversion. We confirm previous results that show ice shelf rifting is characterized by periods of relative quiescence punctuated by swarms of intense seismicity of 1 to 3 h. Even during periods of quiescence, we find significant 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 the propagating ice shelf rifts.

  17. Optimization of photonic crystal structures.

    PubMed

    Smajic, Jasmin; Hafner, Christian; Erni, Daniel

    2004-11-01

    We report on the numerical structural optimization of two-dimensional photonic crystal (PhC) power dividers by using two different classes of optimization algorithms, namely, a modified truncated Newton (TN) gradient search as deterministic local optimization scheme and an evolutionary optimization representing the probabilistic global search strategies. Because of the severe accuracy requirements during optimization, the proper PhC device has been simulated by using the multiple-multipole program that is contained in the MaX-1 software package. With both optimizer classes, we found reliable and promising solutions that provide vanishing power reflection and perfect power balance at any specified frequency within the photonic bandgap. This outcome is astonishing in light of the discrete nature inherent in the underlying PhC structure, especially when the optimizer is allowed to intervene only within a very small volume of the device. Even under such limiting constraints structural optimization is not only feasible but has proven to be highly successful. PMID:15535381

  18. Uranocircite: luminescence and crystal structure

    SciTech Connect

    Matkovskiy, A.O.; Sidorenko, G.A.; Tarashchan, A.N.

    1981-01-01

    A study on the determination of the complex structure of the electron-vibration spectra and the elucidation of their relation to crystallochemical factors in uranocircite is presented. The work was performed on samples from zones of a single crystal of the same natural meta-uranocircite, differing in color, and also on other specimens from various Soviet and foreign deposits. Of the 15 meta-uranocircite specimens investigated, in 14 cases the luminescence spectra were homoypic and were a series of equidistant groups of lines of the fine structure; the spectral position of which was practically constant for all the specimens. The degree of hydration was found to have practically no influence on the luminescence of the meta-uranocircite. The investigation supports the supposition that there are marked differences in the structures of minerals of the uran-mica group, although in the authors' opinion, the mechanism itself of multi-center radiation is universal and manifested for all secondary uranium minerals. (JMT)

  19. 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.

  20. 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.

  1. Characteristic of the ice crystal scattering database for GCOMC/SGLI satellite mission

    NASA Astrophysics Data System (ADS)

    Letu, H.; Nakajima, T. Y.; Nagao, T. M.

    2012-12-01

    In this study, we developed the ice crystal scattering database for ice cloud remote sensing and radiative transfer calculation of the Global Change Observation Mission (GCOMC)/Second Generation Global Imager (SGLI) satellite mission using light scattering methods of the LIght Scattering solver Applicable to particles of arbitrary Shape (LISAS)/ Geometrical-Optics Approximation (GOA), Surface Integral Equations Method of Müller-type (SIEMM), Finite-Difference Time Domain (FDTD), and Improved Geometrical-Optics Method (IGOM). The GCOMC/SGLI mission measures essential geophysical parameters on the Earth's surface and in the atmosphere to facilitate understanding of the global radiation budget, which is scheduled to launch in around 2014 by the JAXA. Computing time and retrieval error of the effective particle radius is a main subject for developing the ice crystal scattering database for GCOMC satellite mission. For developing the suitable database, it is important to optimize the light scattering database based on the specification of the satellite sensor. There are two approaches to optimize a light scattering database: optimizing the complex refractive index grid system and optimizing the wavelength bin for a specific sensor channel. In the former method, a suitable grid system is determined by investigating the radiance error of radiative transfer calculations caused by differing fineness of step size of the complex refractive index. This study focuses on the former case. The grid system of the complex refractive index in the 1.6-μm (SW3) channel of the GCOMC/SGLI satellite sensor was investigated for optimizing the ice crystal scattering database. This grid system is separated into twelve patterns according to the step size of the real and imaginary parts of the refractive index. Specifically, the LISAS/ GOA technique is used to simulate the scattering of light by randomly oriented large hexagonal ice crystals. The difference of radiance with different ice cloud optical thickness and step size of the refractive index is calculated from developed light scattering database using the radiative transfer (R-STAR) solver. The results indicated that the step size of the real part is a significant factor in the difference of radiance. Furthermore, retrieval error of the effective particle radius caused by the sensor noise and error caused by refractive index grid system are investigated. Result indicated that, when step size of the real part is 0.04 with ice cloud optical thickness 8, total error of the effective particle radius is generally smaller than 2-μm. Hence, optimization of the refractive index in the SGLI channel is a significant step toward developing a suitable light scattering database for non-spherical ice crystals. Based on the above result, we developed the ice crystal scattering database for GCOMC satellite mission. Characteristic of the ice crystal scattering database for GCOMC/SGLI was investigated finally. Keywords: GCOMC/SGLI, ice crystal, light scattering method, effective particle radius

  2. 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).

  3. 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 .

  4. Pore Structure and the Low Frequency Permittivity of Sea Ice

    NASA Astrophysics Data System (ADS)

    O'Sadnick, M.; Ingham, M.; Eicken, H.

    2014-12-01

    Field and laboratory measurements of the dielectric permittivity of first-year sea ice both show that below a frequency of about 10 Hz the real part of the relative permittivity (ɛ') increases with decreasing frequency. Field measurements in Barrow, Alaska and McMurdo Sound suggest that this rise in low frequency ɛ' steepens as the ice warms, and is confined primarily to the upper 0.50m of the ice cover as it approaches maximum thickness. We propose that this behaviour may be related to membrane polarization occurring in the pore structure within the ice. With ice-liquid interfaces carrying a net charge, an electric double layer forms within the brine filled pores. Polarization occurs at grain boundaries, intragranular films and "necks" in the pore structure where the effective thickness of the double layer approaches the width of the pore resulting in differential transport of ions. This process is dependent on both the characteristic lengths and radii of pores relative to the length and radii of the "necks" or the geometry of inter/intragranular brine layers. By representing the measured dielectric permittivity in terms of a Cole-Cole model it is possible to show that the distribution of pore sizes evolves with temperature. Derived values of complex conductivity are also examined in relationship to the temporal evolution of pore geometry including smoothness of the pore-ice interface.

  5. Bedrock structure and the interpretation of palaeo ice stream footprints: examples from the Pleistocene British Ice Sheet

    NASA Astrophysics Data System (ADS)

    Krabbendam, M.; Bradwell, T.

    2009-04-01

    To model past and future behaviour of ice sheets, a good understanding of both modern and ancient ice streams is required. The study of present-day ice streams provides detailed data of short-term dynamic changes, whilst the study of Pleistocene palaeo-ice streams can provide crucial constraints on the longer-term evolution of ice sheets. To date, palaeo-ice streams, such as the classical Dubawnt Lake palaeo-ice stream of the former Laurentide Ice Sheet, have been recognised largely on the basis of extremely elongate drumlins and megascale glacial lineations; all soft-sediment features. Whilst it appears that topographically unconstrained ice streams (eg. within the West Antarctic Ice Sheet) are generally underlain by deformable till, topographically constrained ice streams such as Jakobshavn Isbrae do not require deformable sediment and may occur on a bedrock-dominated bed. Analysis of DEM data and geomorphology and structural geology fieldwork in Northern Scotland and Northern England has shown the occurrence of highly streamlined bedforms in bedrock of the former base of topographically controlled palaeo-ice streams, which drained parts of the British Ice Sheet. The bedforms are predominantly bedrock megagrooves with asymmetric cross-profiles. In the Ullapool tributary of the Minch palaeo ice stream, bedrock megagrooves form the dominant evidence for ice streaming. The megagrooves are typically 5-15 m deep, 10-30 m wide and 500 - 3000 m long. Spacing of megagrooves is typically 100 - 200 m. In both study areas, the bedrock is strongly anisotropic, either consisting of thin-bedded strata or strongly foliated metasedimentary rocks, with the strata or foliation having a gentle dip. Megagrooves are best developed where the strike of the anisotropy is sub-parallel (within 10 - 20°) with palaeo ice flow. The bedrock in both areas has a well-developed, relatively densely spaced (< 1m), conjugate joint system. We suggest that asymmetric megagrooves are formed by "lateral plucking", facilitated by the combination of strong bedding/foliation and the joint pattern. Glacial erosion was laterally more effective than vertically; so that stepped faces subparallel to palaeo ice flow are enhanced rather that destroyed. We propose that: a) Lateral plucking is an effective mechanism to produce streamlined bedrock bedforms by fast ice flow, providing the bedrock and bedrock structure are suitable; b) some topographically controlled palaeo-ice stream beds are dominated by bedrock rather than soft-sediment; c) the recognition of palaeo-ice streams may be dependent on the type of bedrock and the orientation of bedrock structure with respect to palaeo ice flow; d) palaeo-ice stream footprints may have been underestimated in formerly glaciated areas.

  6. 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.

  7. 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.

  8. 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

  9. COP: a data library of optical properties of hexagonal ice crystals.

    PubMed

    Hess, M; Wiegner, M

    1994-11-20

    The data library of optical properties of hexagonal ice crystals for radiative modeling, Cirrus Optical Properties (COP), is introduced. It includes phase functions, asymmetry parameters, extinction cross sections, and single scattering albedos. Furthermore, lidar ratios and depolarization are given. The dependence of these parameters on wavelength, particle size, and shape is calculated, and different particle orientations are considered. In addition, a simple FORTRAN code is provided to calculate the corresponding properties of size distributions. Thus the data library is a very flexible tool for determining the optical parameters of ice clouds for climatological purposes and remote sensing. The data library and the FORTRAN code are distributed through electronic mail. PMID:20962984

  10. 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.

  11. 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.

  12. 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⋯π and π-π inter-actions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure. PMID:26594483

  13. Crystal structure of benzimidazolium salicylate

    PubMed Central

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

    2015-01-01

    In the anion of the title mol­ecular salt, C7H7N2 +·C7H5O3 − (systematic name: 1H-benzimidazol-3-ium 2-hy­droxy­ben­zo­ate), there is an intra­molecular 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⋯π and π–π inter­actions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure. PMID:26594483

  14. Photonic Crystal Laser-Driven Accelerator Structures

    SciTech Connect

    Cowan, B.; Javanmard, M.; Wu, N.

    2004-12-07

    We discuss simulated photonic crystal structure designs for laser-driven particle acceleration. We focus on three-dimensional planar structures based on the so-called 'woodpile' lattice, demonstrating guiding of a speed-of-light accelerating mode by a defect in the photonic crystal lattice. We introduce a candidate geometry and discuss the properties of the accelerating mode. We also discuss the linear beam dynamics in the structure present a novel method for focusing the beam. In addition we describe ongoing investigations of photonic crystal fiber-based structures.

  15. Photonic Crystal Laser-Driven Accelerator Structures

    SciTech Connect

    Cowan, B

    2004-08-06

    The authors discuss simulated photonic crystal structure designs for laser-driven particle acceleration. They focus on three-dimensional planar structures based on the so-called ''woodpile'' lattice, demonstrating guiding of a speed-of-light accelerating mode by a defect in the photonic crystal lattice. They introduce a candidate geometry and discuss the properties of the accelerating mode. They also discuss the linear beam dynamics in the structure present a novelmethod for focusing the beam. In addition they describe ongoing investigations of photonic crystal fiber-based structures.

  16. Sensitivity of thin cirrus clouds in the tropical tropopause layer to ice crystal shape and radiative absorption

    NASA Astrophysics Data System (ADS)

    Russotto, R. D.; Ackerman, T. P.; Durran, D. R.

    2016-03-01

    Subvisible cirrus clouds in the tropical tropopause layer (TTL) play potentially important roles in Earth's radiation budget and in the transport of water into the stratosphere. Previous work on these clouds with 2-D cloud-resolving models has assumed that all ice crystals were spherical, producing too few crystals greater than 60 μm in length compared with observations. In this study, the System for Atmospheric Modeling cloud-resolving model is modified in order to calculate the fall speeds, growth rates, and radiative absorption of nonspherical ice crystals. This extended model is used in simulations that aim to provide an upper bound on the effects of ice crystal shape on the time evolution of thin cirrus clouds and to identify the physical processes responsible for any such effects. Model runs assuming spheroidal crystals result in a higher center of cloud ice mass than in the control, spherical case, while the total mass of ice is little affected by the shape. Increasing the radiative heating results in less total cloud ice mass relative to the control case, an effect which is robust with more extreme perturbations to the absorption coefficients. This is due to higher temperatures reducing the relative humidity in the cloud and its environment, and greater entrainment of dry air due to dynamical changes. Comparisons of modeled ice crystal size distributions with recent airborne observations of TTL cirrus show that incorporating nonspherical shape has the potential to bring the model closer to observations.

  17. Functional evaluation of candidate ice structuring proteins using cell-free expression systems.

    PubMed

    Brödel, A K; Raymond, J A; Duman, J G; Bier, F F; Kubick, S

    2013-02-10

    Ice structuring proteins (ISPs) protect organisms from damage or death by freezing. They depress the non-equilibrium freezing point of water and prevent recrystallization, probably by binding to the surface of ice crystals. Many ISPs have been described and it is likely that many more exist in nature that have not yet been identified. ISPs come in many forms and thus cannot be reliably identified by their structure or consensus ice-binding motifs. Recombinant protein expression is the gold standard for proving the activity of a candidate ISP. Among existing expression systems, cell-free protein expression is the simplest and gives the fastest access to the protein of interest, but selection of the appropriate cell-free expression system is crucial for functionality. Here we describe cell-free expression methods for three ISPs that differ widely in structure and glycosylation status from three organisms: a fish (Macrozoarces americanus), an insect (Dendroides canadensis) and an alga (Chlamydomonas sp. CCMP681). We use both prokaryotic and eukaryotic expression systems for the production of ISPs. An ice recrystallization inhibition assay is used to test functionality. The techniques described here should improve the success of cell-free expression of ISPs in future applications. PMID:23195406

  18. 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

  19. Fluctuations and local ice structure in model supercooled water

    NASA Astrophysics Data System (ADS)

    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.

  20. 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.

  1. 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).

  2. 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.

  3. 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.

  4. 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.

  5. Ice crystal damage and radiation effects in relation to microscopy and analysis at low temperatures.

    PubMed

    Echlin, P

    1991-01-01

    There are several limitations to the low-temperature techniques which are currently being used for the preparation, examination and analysis of biological and organic samples by means of high-energy beam instrumentation. The low thermal conductivity of samples and the inadequacy of rapid cooling techniques means that, with the exception of thin-film suspensions and the surface of impact-cooled bulk specimens which may be vitrified, ice crystals of varying sizes will be present in nearly all samples which are quench cooled. Data are presented which indicate the depth to which adequate cryo-fixation may be achieved for both morphological and analytical studies. Although dynamic processes may be time resolved in the outer parts of quench-cooled samples, the decreased freezing rate below the surface makes resolution of these processes much less certain. The quality of information which may be obtained from quench-cooled samples is limited by radiation damage. Low-dose microscopy of vitrified thin-film suspensions of macromolecules continues to provide valid structural information at the molecular level. The increased doses needed for X-ray microanalysis present serious problems with the high spatial resolution analysis of thin frozen-hydrated sections although much less damage is observed in dried samples. A case is presented for using the outer fracture faces of frozen-hydrated bulk samples for low-resolution analysis of cells and tissues. PMID:2016734

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. Blocking rapid ice crystal growth through nonbasal plane adsorption of antifreeze proteins

    PubMed Central

    Olijve, Luuk L. C.; Meister, Konrad; DeVries, Arthur L.; Duman, John G.; Guo, Shuaiqi; Bakker, Huib J.; Voets, Ilja K.

    2016-01-01

    Antifreeze proteins (AFPs) are a unique class of proteins that bind to growing ice crystal surfaces and arrest further ice growth. AFPs have gained a large interest for their use in antifreeze formulations for water-based materials, such as foods, waterborne paints, and organ transplants. Instead of commonly used colligative antifreezes such as salts and alcohols, the advantage of using AFPs as an additive is that they do not alter the physicochemical properties of the water-based material. Here, we report the first comprehensive evaluation of thermal hysteresis (TH) and ice recrystallization inhibition (IRI) activity of all major classes of AFPs using cryoscopy, sonocrystallization, and recrystallization assays. The results show that TH activities determined by cryoscopy and sonocrystallization differ markedly, and that TH and IRI activities are not correlated. The absence of a distinct correlation in antifreeze activity points to a mechanistic difference in ice growth inhibition by the different classes of AFPs: blocking fast ice growth requires rapid nonbasal plane adsorption, whereas basal plane adsorption is only relevant at long annealing times and at small undercooling. These findings clearly demonstrate that biomimetic analogs of antifreeze (glyco)proteins should be tailored to the specific requirements of the targeted application. PMID:26936953

  13. The mystery of low ice crystal numbers in the TTL and implications for the UTLS water vapor budget

    NASA Astrophysics Data System (ADS)

    Kraemer, M.; Spichtinger, P.

    2012-12-01

    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. Furthermore, the very few ice crystals cannot efficiently reduce the gas phase water vapor inside of the cirrus. As a result, high supersaturations can last for many hours thus hindering the downward transport of water by sedimenting ice crystals. Based on our new insights in both the low ice crystal numbers and subsequent persistent high supersatuartions, we propose to reasses the water transport to the stratosphere in the TTL.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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 -10°C. 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.

  20. 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

  1. Spin wave band structure of artificial square ices

    NASA Astrophysics Data System (ADS)

    Iacocca, Ezio; Gliga, Sebastian; Stamps, Robert; Heinonen, Olle

    Artificial square spin ices are structures composed of magnetic elements located on the sites of a geometrically frustrated, two-dimensional square lattice. Using a semi-analytical approach, we show that square spin ices exhibit a rich spin wave band structure that is tunable both by external magnetic fields and the magnetic state of individual elements. Internal degrees of freedom can give rise to equilibrium states with bent magnetization at the edges of each element, leading to characteristic excitations; in the presence of magnetostatic interactions these form separate bands analogous to impurity bands in semiconductors. Full-scale micromagnetic simulations corroborate our semi-analytical approach. This study shows that the magnon spectra, and therefore group and phase velocities and band gap, can be manipulated by external fields, temperature, or more sophisticated techniques such as using spin torque on individual elements, and suggesting that artificial square spin ices can be used as metamaterials for spin waves. Our results close the gap between the research fields of artificial spin ices and magnonics. E.I. acknowledges the Swedish Research Council, Reg.No. 637-2014-6863. The work by O.H. was funded by the Department of Energy Office of Science, Materials Sciences and Engineering Division. The work by R.L.S. was funded by EPSRC EP/L002922/1.

  2. 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.

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

    PubMed

    Wagner, Robert; Benz, Stefan; Möhler, 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

  4. Pholcodine monohydrate: Crystal structure and polymorphism

    NASA Astrophysics Data System (ADS)

    Petruševski, Gjorgji; Zbačnik, Marija; Kajdžanoska, Marina; Ugarkovic, Sonja; Trimčeski, Vase; Kaitner, Branko; Jovanovski, Gligor; Makreski, Petre

    2013-07-01

    The first crystal structure elucidation of pholcodine monohydrate, an important antitussive active pharmaceutical ingredient is reported herein. The studied compound crystallizes in the orthorhombic system in the space group P212121. Each H2O molecule is shared by two pholcodine molecules via three strong hydrogen bonds. The detailed crystallization screening from several different organic solvents afforded single crystals with various quality, all exhibiting prism-to-needlelike micro morphology. The investigation of the obtained single crystals by means of several physico-chemical, solid-state instrumental techniques (FT-IR, DSC, TG/DTG and XRPD) proved that pholcodine monohydrate exists in a single crystalline modification, identical to the commercial form of the compound.

  5. Crystallization of amorphous ice as the cause of comet P/Halley's outburst at 14 AU.

    PubMed

    Prialnik, D; Bar-Nun, A

    1992-01-01

    The post-perihelion eruption of comet P/Halley, detected in Feb. 1991 and believed to have started 3 months earlier, can be explained by crystallization of amorphous ice taking place in the interior of the porous nucleus, at depths a few tens of meters, accompanied by the release of trapped gases. Numerical calculations show that for a bulk density of 0.5 g cm-3 and a pore size of 1 millimicron crystallization occurs on the outbound leg of comet P/Halley's orbit, at heliocentric distances between 5 AU and 17 AU. The trapped gas is released and flows to the surface through the porous medium. It may also open wider channels, as the internal pressures obtained surpass the tensile strength of cometary ice. The outflowing gas carries with it grains of ice and dust, and thus can explain the large amounts of dust observed in the coma at 14.3 AU and beyond. The typical decline time of the process is found to be on the order of months, in agreement with observations. The rate of outgassing is two or three orders of magnitude higher than in quiescence. In an asymmetric, non-uniform nucleus--in contrast to the one-dimensional spherical model--the process should occur intermittently, such as was observed for comet P/Halley beyond 5 AU. PMID:11538062

  6. Crystallization and Structure Analysis of Membrane Proteins

    NASA Astrophysics Data System (ADS)

    Newman, Richard

    In recent years, there has been great progress in the determination of high-resolution three-dimensional (3D) structures of membrane proteins. The first major breakthrough came with the crystallization (1) and X-ray crystallography (2,3) of the bacterial photosynthetic reaction center (see refs. 4 and 5 for reviews). The structure of another, entirely different membrane protein, the bacterial outer membrane porin from Rhodobacter capsulatus, has now been determined by X-ray crystallography (6). Recent results by electron crystallography of two-dimensional (2D) crystals have been most encouraging. The high-resolution 3D structure of bacteriorhodopsin (7) plant light-harvesting complex (8) and projection maps of several other membrane proteins at similar resolutions (9-11) have been obtained by this technique. Electron crystallography seems particularly appropriate for membrane proteins that are prone to form 2D crystals, and it is hoped that many more structures will be determined in this way.

  7. Structural complexity and configurational entropy of crystals.

    PubMed

    Krivovichev, Sergey V

    2016-04-01

    Using a statistical approach, it is demonstrated that the complexity of a crystal structure measured as the Shannon information per atom [Krivovichev (2012). Acta Cryst. A68, 393-398] represents a negative contribution to the configurational entropy of a crystalline solid. This conclusion is in full accordance with the general agreement that information and entropy are reciprocal variables. It also agrees well with the understanding that complex structures possess lower entropies relative to their simpler counterparts. The obtained equation is consistent with the Landauer principle and points out that the information encoded in a crystal structure has a physical nature. PMID:27048729

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

    PubMed Central

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

    2012-01-01

    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 µM, 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 Å. The crystal belonged to space group P4122, with unit-cell parameters a = b = 69.4, c = 178.2 Å. The asymmetric unit contained one monomer. PMID:22750870

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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) Å 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 2—Csp 2 bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent mol­ecules associate in parallel–planar orientations [shortest centroid–centroid distance = 3.6320 (7) Å]. 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

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Three separate classes of bacterial ice nucleation structures.

    PubMed Central

    Turner, M A; Arellano, F; Kozloff, L M

    1990-01-01

    Studies of the properties of the ice nucleation structure exposed on the surfaces of various bacteria such as Pseudomonas syringae, Erwinia herbicola, or various strains of Ice+ recombinant Escherichia coli have shown that there are clearly three major related but chemically distinct types of structures on these cells. First, the ability of Ice+ cells to nucleate super-cooled D2O has been examined, and it has been found that this ability (relative to the ability of the same cells to nucleate super-cooled H2O) exhibited three characteristic nucleating patterns. The rarest structure, called class A, is found on only a small fraction of cells in a culture, nucleates H2O at temperatures above -4.4 degrees C, and is an effective nucleator of super-cooled D2O. A second class of structure, called class B, is found on a larger portion of the cells, nucleates H2O between -4.8 and -5.7 degrees C, and is a relatively poor nucleator of super-cooled D2O. The class C structure is found on almost all cells and nucleates at -7.6 degrees C or colder. These three classes of structures were also differentiated by their sensitivities to low concentrations of water-miscible organic solvents such as dioxane or dimethyl sulfoxide. Depending on the specific bacterial strain, the addition of these solvents to bacterial suspensions lowered the nucleation activity of the class A structure by 1,000-fold or more. The nucleation activities of class B structures in the same culture were highly resistant to these compounds and were lowered only by 20 to 40%. The class C structures were more sensitive than Class B structures were, and the nucleation activities decreased 70 to 90%. Finally, the pH sensitivity of these three classes of structures was examined. The class A structure was destroyed in buffers at pH 4.5 lower but was stable in buffers at higher pHs. The class B structure was less sensitive to acidic buffers but was destroyed at pH 5.5 or lower and was stable at higher pHs. However, the class C structure was unaffected by incubation in buffers with pHs of 3.5 to 9.0. Suggestions for the actual nucleation structures of the three classes are proposed. PMID:2158972

  1. Synthesis and crystal structure of maleopimaric acid.

    PubMed

    Rao, Xiaoping; Song, Zhanqian; Yao, Xujie; Han, Chunrui; Shang, Shibin

    2008-01-01

    The title compound maleopimaric acid was synthesized by a Diels-Alder reaction between maleic anhydride and Pinus elliottii engelm oleoresin at room temperature and it was characterized by single crystal X-ray diffraction. The white crystals crystallized in the orthorhombic system, space group P2(12121) with cell dimensions: a = 7.6960 (15) A, b = 11.851 (2) A, c = 24.577 (5) A, alpha = 90 degrees, beta = 90 degrees, gamma = 90 degrees, V = 2241.6(8) A(3), and R(1) = 0.0716, wR(2) = 0.1975. The two fused and unbridged cyclohexane rings form a trans ring junction with chair conformation with two methyl groups in axis positions, the anhydride ring is planar. Crystal water existed in the molecular and stabilized the structure through intermolecular hydrogen bonds. PMID:18626819

  2. 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.

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

    PubMed

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

    2016-03-01

    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

  4. 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

  5. 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.

  6. Nucleational Energy Traps and Their Role in Crystal Structure Formation.

    NASA Astrophysics Data System (ADS)

    Loeffler, T. D.; Galatas, A. C.; Chen, B.

    2014-12-01

    Crystallization has been one of the most important topics in a wide array of fields because of its importance to biology, atmospheric science, material science, etc. Unlike vapor-liquid nucleation, crystallization has an added level of complexity because the nucleation process can form anything from a perfectly ordered single crystal to an amorphous solid. When a nucleating cluster consists of a few dozen molecules, a large majority of the particles are exposed on the surface of the cluster unlike in the bulk phase where the majority of the particles are contained within the interior. As a consequence a cluster must attempt to minimize the surface area while simultaneously maximizing the intermolecular interactions within the cluster in order to maintain stability. The ideal bulk phase configuration is often less stable due to these factors and will not form directly from the gas/liquid phase. Instead the clusters can adopt many non-crystalline structures due to their incredibly high stability at these small cluster sizes. Once these non-crystalline clusters aggregate enough molecules they can attempt to transition from the non-crystalline structure into an ordered crystalline structure; however, if there is a sizable free energy barrier for this crystalline transition the cluster can become trapped in these states and subsequently the formation of an ordered crystal will be unfeasible. This of course can yield physical properties that are significantly different from that of the bulk.This talk will discuss the simulational study of the underlying nucleation mechanics and their role in the formation of atmospheric ice. The focus will be on the formation of energy traps at small cluster sizes and how these traps are avoided by reducing the conformational degrees of freedom.

  7. Computing stoichiometric molecular composition from crystal structures

    PubMed Central

    Gražulis, Saulius; Merkys, Andrius; Vaitkus, Antanas; Okulič-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

  8. 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.

  9. Automated protein crystal structure determination using ELVES.

    PubMed

    Holton, James; Alber, Tom

    2004-02-10

    Efficient determination of protein crystal structures requires automated x-ray data analysis. Here, we describe the expert system ELVES and its use to determine automatically the structure of a 12-kDa protein. Multiwavelength anomalous diffraction analysis of a selenomethionyl derivative was used to image the Asn-16-Ala variant of the GCN4 leucine zipper. In contrast to the parallel, dimeric coiled coil formed by the WT sequence, the mutant unexpectedly formed an antiparallel trimer. This structural switch reveals how avoidance of core cavities at a single site can select the native fold of a protein. All structure calculations, including indexing, data processing, locating heavy atoms, phasing by multiwavelength anomalous diffraction, model building, and refinement, were completed without human intervention. The results demonstrate the feasibility of automated methods for determining high-resolution, x-ray crystal structures of proteins. PMID:14752198

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. Crystal structure of monobasic sodium tartrate monohydrate

    SciTech Connect

    Titaeva, E. K. Somov, N. V.; Portnov, V. N.; Titaev, D. N.

    2015-01-15

    Crystals of a new polymorphic modification of monobasic sodium tartrate monohydrate NaHC{sub 4}H{sub 4}O{sub 6} · H{sub 2}O have been grown in a metasilicate gel. Their atomic structure is solved by X-ray diffraction.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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.

  9. Absorption enhancement in graphene photonic crystal structures.

    PubMed

    Khaleque, Abdul; Hattori, Haroldo T

    2016-04-10

    Graphene, a single layer of carbon atoms arranged in a honeycomb lattice, is attracting significant interest because of its potential applications in electronic and optoelectronic devices. Although graphene exhibits almost uniform absorption within a large wavelength range, its interaction with light is weak. In this paper, the enhancement of the optical absorption in graphene photonic crystal structures is studied: the structure is modified by introducing scatterers and mirrors. It is shown that the absorption of the graphene photonic crystal structure can be enhanced about four times (nearly 40%) with respect to initial reference absorption of 9.8%. The study can be a useful tool for investigating graphene physics in different optical settings. PMID:27139857

  10. 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).

  11. 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.

  12. Synthesis and Crystal Structure of Gold Nanobelts

    PubMed Central

    2015-01-01

    Gold nanobelts were synthesized by the reduction of tetrachloroauric acid with ascorbic acid in the presence of the surfactants cetyltrimethylammonium bromide and sodium dodecylsulfate. The resulting structures have rectangular cross sectional dimensions that are tens of nanometers and lengths that are tens to hundreds of micrometers. We find that the nanobelt yield and resulting structures are very sensitive to temperature which is likely due to the transition of the surfactant solution from wormlike micelles to spherical micelles. The nanobelt crystal structure contains a mixture of face centered cubic and hexagonally close packed lattice phases that can be isolated and examined individually due to the unique nanobelt size and shape. PMID:24803725

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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 C–H⋯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

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. Optimizing the ice crystal scattering database for the GCOM-C/SGLI satellite mission

    NASA Astrophysics Data System (ADS)

    Letu, Husi; Nakajima, Takashi Y.; Matsui, Takashi N.; Matsumae, Yoshiaki

    2013-05-01

    In this study, the grid system of the complex refractive index in the 1.6-μm (SW3) channel of the Global Change Observation Mission (GCOM-C)/Second Generation Global Imager (SGLI) satellite sensor is investigated. This grid system is separated into twelve patterns according to the step size of the real and imaginary parts of the refractive index. Specifically, the Light Scattering solver Applicable to particles of arbitrary Shape (LISAS)/Geometrical-Optics Approximation (GOA) technique is used to simulate the scattering of light by randomly oriented large hexagonal ice crystals. The difference of radiance with refractive index step size is calculated from developed light scattering database using the radiative transfer (R-STAR) solver. The results indicated that the step size of the real part is a significant factor in the difference of radiance.

  7. 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.

  8. 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.

  9. 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 β-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.

  10. 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.

  11. Surface Structure Dependence in Desorption and Crystallization of Thin Interfacial Water Films on Platinum.

    PubMed

    Badan, Cansin; Heyrich, Yasmine; Koper, Marc T M; Juurlink, Ludo B F

    2016-05-01

    We study the influence of substrate structure on desorption and crystallization of water deposited at 100 K on platinum. We use ultrathin water films adsorbed to well-defined but highly corrugated Pt(211) and Pt(221) surfaces. Desorption spectra reveal variations in the wetting and subsequent layers that critically depend on step type. Crystallization is induced at much lower substrate temperatures as compared to Pt(111). The crystalline ice (CI)-like layer is also significantly more stable on stepped surfaces as evidenced by a higher desorption energy. Crystallinity of the CI-like layers is maintained over a thickness that varies strongly with step type. PMID:27093477

  12. Crystal structure of natural phaeosphaeride A.

    PubMed

    Abzianidze, Victoria V; Poluektova, Ekaterina V; Bolshakova, Ksenia P; Panikorovskii, Taras L; Bogachenkov, Alexander S; Berestetskiy, Alexander O

    2015-08-01

    The asymmetric unit of the title compound, C15H23NO5, contains two independent mol-ecules. 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 mol-ecules form layered structures. Nearly planar sheets, parallel to the (001) plane, form bilayers of two-dimensional hydrogen-bonded networks with the hy-droxy groups located on the inter-ior 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 inter-digitate 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

  13. 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

  14. Crystal Structure of Cryptosporidium parvum Pyruvate Kinase

    PubMed Central

    Cook, William J.; Senkovich, Olga; Aleem, Khadijah; Chattopadhyay, Debasish

    2012-01-01

    Pyruvate kinase plays a critical role in cellular metabolism of glucose by serving as a major regulator of glycolysis. This tetrameric enzyme is allosterically regulated by different effector molecules, mainly phosphosugars. In response to binding of effector molecules and substrates, significant structural changes have been identified in various pyruvate kinase structures. Pyruvate kinase of Cryptosporidium parvum is exceptional among known enzymes of protozoan origin in that it exhibits no allosteric property in the presence of commonly known effector molecules. The crystal structure of pyruvate kinase from C. parvum has been solved by molecular replacement techniques and refined to 2.5 Å resolution. In the active site a glycerol molecule is located near the γ-phosphate site of ATP, and the protein structure displays a partially closed active site. However, unlike other structures where the active site is closed, the α6' helix in C. parvum pyruvate kinase unwinds and assumes an extended conformation. In the crystal structure a sulfate ion is found at a site that is occupied by a phosphate of the effector molecule in many pyruvate kinase structures. A new feature of the C. parvum pyruvate kinase structure is the presence of a disulfide bond cross-linking the two monomers in the asymmetric unit. The disulfide bond is formed between cysteine residue 26 in the short N-helix of one monomer with cysteine residue 312 in a long helix (residues 303–320) of the second monomer at the interface of these monomers. Both cysteine residues are unique to C. parvum, and the disulfide bond remained intact in a reduced environment. However, the significance of this bond, if any, remains unknown at this time. PMID:23056503

  15. 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

  16. 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.

  17. 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

  18. 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

  19. An Interpretation of the Mechanisms of Ice-Crystal Formation Operative in the Lake Almanor Cloud-Seeding Program.

    NASA Astrophysics Data System (ADS)

    Chai, Steven K.; Finnegan, William G.; Pitter, Richard L.

    1993-11-01

    In a 1984 85 winter cloud-seeding program at Lake Almanor, California, indium sesquioxide (In2O3) aerosol particle generators were collocated with silver iodide (AgI) aerosol particle generators as a source of inert tracer aerosol. The In2O3 aerosol served as an indicator of the amount of AgI aerosol scavenged. Based on the aerosol emission rates, if AgI aerosol was only captured by scavenging processes, and played no part in forming ice crystals and snowfall, the silver to indium ratio (Ag:In) in the analyzed snow would be 0.8.Analysis of snow samples from the target area produced frequent Ag[ratio]In ratio values in excess of 1.1. In the snowfall at the closest sampling sites to the aerosol generator the high ratios of Ag[ratio]In cannot be explained by the contact-freezing ice formation mechanism. A mechanism with a much faster rate than possible by contact freezing is necessary to produce the high Ag[ratio]In ratios that were observed. Part of the AgI seeding aerosol functioned rapidly to produce ice crystals by a forced condensation-freezing mechanism immediately after generation, and those ice crystals contributed to the snowfall at those sites closest to the generator.

  20. 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

  1. 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.

  2. 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.

  3. Crystal Structure of Human β-Galactosidase

    PubMed Central

    Ohto, Umeharu; Usui, Kimihito; Ochi, Toshinari; Yuki, Kenjiro; Satow, Yoshinori; Shimizu, Toshiyuki

    2012-01-01

    GM1 gangliosidosis and Morquio B are autosomal recessive lysosomal storage diseases associated with a neurodegenerative disorder or dwarfism and skeletal abnormalities, respectively. These diseases are caused by deficiencies in the lysosomal enzyme β-d-galactosidase (β-Gal), which lead to accumulations of the β-Gal substrates, GM1 ganglioside, and keratan sulfate. β-Gal is an exoglycosidase that catalyzes the hydrolysis of terminal β-linked galactose residues. This study shows the crystal structures of human β-Gal in complex with its catalytic product galactose or with its inhibitor 1-deoxygalactonojirimycin. Human β-Gal is composed of a catalytic TIM barrel domain followed by β-domain 1 and β-domain 2. To gain structural insight into the molecular defects of β-Gal in the above diseases, the disease-causing mutations were mapped onto the three-dimensional structure. Finally, the possible causes of the diseases are discussed. PMID:22128166

  4. 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 4.4Å 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.

  5. 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.

  6. Crystal Structure Prediction from First Principles: The Crystal Structures of Glycine

    PubMed Central

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

    2015-01-01

    Here we present the results of our unbiased searches of glycine polymorphs obtained using the Genetic Algorithms search implemented in 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. PMID:25843964

  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. Crystal structure of a DNA catalyst.

    PubMed

    Ponce-Salvatierra, Almudena; Wawrzyniak-Turek, Katarzyna; Steuerwald, Ulrich; Höbartner, 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 Å 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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. Structure, thermodynamics, and crystallization of amorphous hafnia

    NASA Astrophysics Data System (ADS)

    Luo, Xuhui; Demkov, Alexander A.

    2015-09-01

    We investigate theoretically amorphous hafnia using the first principles melt and quench method. We identify two types of amorphous structures of hafnia. Type I and type II are related to tetragonal and monoclinic hafnia, respectively. We find type II structure to show stronger disorder than type I. Using the phonon density of states, we calculate the specific heat capacity for type II amorphous hafnia. Using the nudged elastic band method, we show that the averaged transition barrier between the type II amorphous hafnia and monoclinic phase is approximately 0.09 eV/HfO2. The crystallization temperature is estimated to be 421 K. The calculations suggest an explanation for the low thermal stability of amorphous hafnia.

  19. 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.

  20. 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.

  1. Prediction of binary hard-sphere crystal structures

    NASA Astrophysics Data System (ADS)

    Filion, Laura; Dijkstra, Marjolein

    2009-04-01

    We present a method based on a combination of a genetic algorithm and Monte Carlo simulations to predict close-packed crystal structures in hard-core systems. We employ this method to predict the binary crystal structures in a mixture of large and small hard spheres with various stoichiometries and diameter ratios between 0.4 and 0.84. In addition to known binary hard-sphere crystal structures similar to NaCl and AlB2 , we predict additional crystal structures with the symmetry of CrB, γCuTi , αIrV , HgBr2 , AuTe2 , Ag2Se , and various structures for which an atomic analog was not found. In order to determine the crystal structures at infinite pressures, we calculate the maximum packing density as a function of size ratio for the crystal structures predicted by our GA using a simulated annealing approach.

  2. Crystal Structure of Staphylococcus aureus Cas9.

    PubMed

    Nishimasu, Hiroshi; Cong, Le; Yan, Winston X; Ran, F Ann; Zetsche, Bernd; Li, Yinqing; Kurabayashi, Arisa; Ishitani, Ryuichiro; Zhang, Feng; Nureki, Osamu

    2015-08-27

    The RNA-guided DNA endonuclease Cas9 cleaves double-stranded DNA targets with a protospacer adjacent motif (PAM) and complementarity to the guide RNA. Recently, we harnessed Staphylococcus aureus Cas9 (SaCas9), which is significantly smaller than Streptococcus pyogenes Cas9 (SpCas9), to facilitate efficient in vivo genome editing. Here, we report the crystal structures of SaCas9 in complex with a single guide RNA (sgRNA) and its double-stranded DNA targets, containing the 5'-TTGAAT-3' PAM and the 5'-TTGGGT-3' PAM, at 2.6 and 2.7 Å resolutions, respectively. The structures revealed the mechanism of the relaxed recognition of the 5'-NNGRRT-3' PAM by SaCas9. A structural comparison of SaCas9 with SpCas9 highlighted both structural conservation and divergence, explaining their distinct PAM specificities and orthologous sgRNA recognition. Finally, we applied the structural information about this minimal Cas9 to rationally design compact transcriptional activators and inducible nucleases, to further expand the CRISPR-Cas9 genome editing toolbox. PMID:26317473

  3. 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.

  4. 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

  5. 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

  6. 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

  7. Analysis and design of an ice wall framing system for an arctic drilling structure

    SciTech Connect

    Schlechten, J.R.; Bivens, H.R.; Dolan, D.K.; Fernandes, R.L.

    1984-05-01

    The exterior shell of a concrete base structure for an arctic oil drilling platform must be designed to resist extremely high local ice pressures. Stringent draft criteria for deployment of these structures in shallow waters require that the exterior shells, commonly called ice walls, have minimal weight in conjunction with maximum strength. These conflicting requirements are satisfactorily balanced by the selection of an arch shape on the interior face of the wall. This geometry induces arching action within the ice wall plate to resist ice loads in compression, thereby minimizing principal tension within the concrete. The development of principal tension in a concrete structure limits its ability to resist external forces. This paper describes the design of a prestressed concrete ice wall which satisfies these load, weight, and material constraints.

  8. 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.

  9. 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

  10. 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

  11. 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

  12. A structural glaciological analysis of the 2002 Larsen B Ice Shelf collapse

    NASA Astrophysics Data System (ADS)

    Glasser, N. F.; Scambos, T. A.

    2007-12-01

    Recent ice-shelf collapse events have been linked to rapid climatic warming of the Antarctic Peninsula. Here we provide a detailed structural glaciological analysis of the changes in surface structures on the Larsen B Ice Shelf ice shelf from a series of visible-channel satellite images acquired between January 2000 and April 2002 and the RAMP mosaic of 1997. Mapped features include the ice-shelf edge, rifts (fractures that penetrate the entire ice shelf), crevasses, longitudinal linear surface structures (also called flow stripes or streaklines), medial moraines, and meltwater features (streams, ponds and dolines). Longitudinal surface structures are particularly important because they can be used to define individual tributary-glacier flow units and their contribution to the ice shelf. Using this approach, we define domains on the ice shelf related to glacier source areas and demonstrate that, prior to collapse, the central Larsen B Ice Shelf consisted of four sutured flow units fed by Crane Glacier, Jorum Glacier, Punchbowl Glacier and Hektoria/Green/Evans Glacier. Between these active glacier-fed flow units were less-active flow units. Prior to collapse, large open rift systems (with floating brash ice) were present ~40 km from the ice-shelf edge at Foyn Point and Cape Disappointment because of the strong lateral shear in the zone separating active and less-active flow units. We suggest that the ice shelf was pre-conditioned to collapse by partial rupturing of the sutures between flow units. Rupturing may have been caused by changes in velocity and shear stresses within the tributary glacier flow units, leading to weaker coupling with islands and peninsulas bounding the shelf.

  13. Modeling Polymorphic Molecular Crystals with Electronic Structure Theory.

    PubMed

    Beran, Gregory J O

    2016-05-11

    Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals, organic semiconductor materials, foods, and many other applications. Electronic structure methods have become an increasingly important tool for modeling molecular crystals and polymorphism. This article reviews electronic structure techniques used to model molecular crystals, including periodic density functional theory, periodic second-order Møller-Plesset perturbation theory, fragment-based electronic structure methods, and diffusion Monte Carlo. It also discusses the use of these models for predicting a variety of crystal properties that are relevant to the study of polymorphism, including lattice energies, structures, crystal structure prediction, polymorphism, phase diagrams, vibrational spectroscopies, and nuclear magnetic resonance spectroscopy. Finally, tools for analyzing crystal structures and intermolecular interactions are briefly discussed. PMID:27008426

  14. 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

  15. 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

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. Exploring structural phase transitions of ion crystals

    NASA Astrophysics Data System (ADS)

    Yan, L. L.; Wan, W.; Chen, L.; Zhou, F.; Gong, S. J.; Tong, X.; Feng, M.

    2016-02-01

    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.

  2. 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

  3. 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

  4. 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.

  5. 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

  6. Crystal Structure of the VS ribozyme

    PubMed Central

    Suslov, Nikolai B.; DasGupta, Saurja; Huang, Hao; Fuller, James R.; Lilley, David M.J.; Rice, Phoebe A.; Piccirilli, Joseph A.

    2015-01-01

    Varkud Satellite (VS) ribozyme mediates rolling circle replication of a plasmid found in the Neurospora mitochondria. We report crystal structures of this ribozyme at 3.1Å resolution, revealing an intertwined dimer formed by an exchange of substrate helices. Within 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 significance 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

  7. 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.

  8. 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

  9. Tightly integrated single- and multi-crystal data collection strategy calculation and parallelized data processing in JBluIce beamline control system.

    PubMed

    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

    2014-12-01

    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

  10. 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

  11. 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).

  12. 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)

  13. 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.

  14. 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-β 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 Å. A comparison of the GDF11 structure with those of other family members reveals that the canonical TGF-β 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

  15. 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.

  16. 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

  17. 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 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 Å 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

  18. 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 Å 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Band electronic structures and crystal packing forces

    NASA Astrophysics Data System (ADS)

    Whangbo, M. H.

    1988-02-01

    Progress has been made in several aspects of our research on organic conducting salts, high temperature inorganic superconductors, and other low-dimensional materials. Band electronic structure study on the new ambient-pressure superconductor (BEDT-TTF)2Cu(NCS)2 (T(sub c) = 10.4 K) revealed that this salt is a two-dimensional metal. The (BPDT-TTF)3(INI4)2 salt consists of BPDT-TTF molecules in two different oxidation states. Band electronic structure calculations on (2,5-DM-DCNQI)2Cu revealed that its metallic character must arise from the presence of copper atom mixed-valence (i.e., Cu(+) and Cu(2+). Band electronic structure calculations were performed to examine the difference between the orthorhombic and tetragonal phases of YBa2Cu3O(7-y). We developed empirical atom-atom potentials that reproduce the crystal structure of binary oxides BaO, CuO, La2O3, and Y2O3. On the basis of our band electronic and empirical atom-atom potential studies, we proposed that linear electron-hole-electron pairing in Cu(2+)-O-Cu(3+)-O-Cu(2+) units via concerted breathing-mode vibration is essential for the high-temperature superconductivity in La(2-x)M(x)CuO4 and YBa2Cu3O(7-y). We also found that our empirical atom-atom potentials provide a reasonable set of IR and Raman frequencies for La(2-x)M(x)CuO4.

  5. 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

  6. 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.

  7. Crystal structure of a Trypanosoma brucei metacaspase

    PubMed Central

    McLuskey, Karen; Rudolf, Jana; Proto, William R.; Isaacs, Neil W.; Coombs, Graham H.; Moss, Catherine X.; Mottram, Jeremy C.

    2012-01-01

    Metacaspases are distantly related caspase-family cysteine peptidases implicated in programmed cell death in plants and lower eukaryotes. They differ significantly from caspases because they are calcium-activated, arginine-specific peptidases that do not require processing or dimerization for activity. To elucidate the basis of these differences and to determine the impact they might have on the control of cell death pathways in lower eukaryotes, the previously undescribed crystal structure of a metacaspase, an inactive mutant of metacaspase 2 (MCA2) from Trypanosoma brucei, has been determined to a resolution of 1.4 Å. The structure comprises a core caspase fold, but with an unusual eight-stranded β-sheet that stabilizes the protein as a monomer. Essential aspartic acid residues, in the predicted S1 binding pocket, delineate the arginine-specific substrate specificity. In addition, MCA2 possesses an unusual N terminus, which encircles the protein and traverses the catalytic dyad, with Y31 acting as a gatekeeper residue. The calcium-binding site is defined by samarium coordinated by four aspartic acid residues, whereas calcium binding itself induces an allosteric conformational change that could stabilize the active site in a fashion analogous to subunit processing in caspases. Collectively, these data give insights into the mechanistic basis of substrate specificity and mode of activation of MCA2 and provide a detailed framework for understanding the role of metacaspases in cell death pathways of lower eukaryotes. PMID:22529389

  8. 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.

  9. 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.

  10. Crystallization and Characterization of Galdieria sulphuraria RUBISCO in Two Crystal Forms: Structural Phase Transition Observed in P21 Crystal Form

    PubMed Central

    Baranowski, Michael; Stec, Boguslaw

    2007-01-01

    We have isolated ribulose-1,5-bisphosphate-carboxylase/oxygenase (RUBISCO) from the red algae Galdieria Sulphuraria. The protein crystallized in two different crystal forms, the I422 crystal form being obtained from high salt and the P21 crystal form being obtained from lower concentration of salt and PEG. We report here the crystallization, preliminary stages of structure determination and the detection of the structural phase transition in the P21 crystal form of G. sulphuraria RUBISCO. This red algae enzyme belongs to the hexadecameric class (L8S8) with an approximate molecular weight 0.6MDa. The phase transition in G. sulphuraria RUBISCO leads from two hexadecamers to a single hexadecamer per asymmetric unit. The preservation of diffraction power in a phase transition for such a large macromolecule is rare.

  11. 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

  12. Ice accretion on structures in a marine environment

    SciTech Connect

    Lozowski, E.P.; Gates, E.M.

    1984-02-01

    A model of the icing of an unheated, non-rotating cylinder has been developed. The model can predict both the shape of the ice accretion and its mass as a function of time, at least for relatively short periods during which deviations from the initial airflow and droplet trajectories are not too significant. These predictions are compared with the results of icing wind tunnel experiments over a range of icing conditions - from cases in which the entire surface is dry (surface temperature below freezing everywhere) to ones in which it is entirely wet (surface temperature equal to 0/sup 0/C everywhere). Techniques for recording and analyzing the surface profile experimentally as a function of time are described and assessed. It is found that the model-predicted accretion profiles are quantitatively quite accurate for dry icing. In wet cases, the profiles are qualitatively right, but the model is unable at present to simulate the details of surface roughness which arise. Nevertheless, the model's mass predictions are found to be quite acceptable, even when the profiles are not.

  13. 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…

  14. 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

  15. Light scattering by hexagonal ice crystals: comparison of finite-difference time domain and geometric optics models

    NASA Astrophysics Data System (ADS)

    Yang, Ping; Liou, K. N.

    1995-01-01

    We have developed a finite-difference time domain (FDTD) method and a novel geometric ray-tracing model for the calculation of light scattering by hexagonal ice crystals. In the FDTD method we use a staggered Cartesian grid with the implementation of an efficient absorbing boundary condition for the truncation of the computation domain. We introduce the Maxwell-Garnett rule to compute the mean values of the dielectric constant at grid points to reduce the inaccuracy produced by the staircasing approximation. The phase matrix elements and the scattering efficiencies for the scattering of visible light by two-dimensional long circular ice cylinders match closely those computed from the exact solution for size parameters as large as 60, with maximum differences less than 5%. In the new ray-tracing model we invoke the principle of geometric optics to evaluate the reflection and the refraction of localized waves, from which the electric and magnetic fields at the particle surface (near field) can be computed. Based on the equivalence theorem, the near field can subsequently be transformed to the far field, in which the phase interferences are fully accounted for. The phase functions and the scattering efficiencies for hexagonal ice crystals computed from the new geometric ray-tracing method compare reasonably well with the FDTD results for size parameters larger than approximately 20. When absorption is involved in geometric ray tracing,

  16. 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.

  17. Low modulus polymer packaged optical fiber sensor for macrocrack monitoring in ice structures of cold regions

    NASA Astrophysics Data System (ADS)

    Ren, Peng; Zhou, Zhi

    2014-09-01

    Ice structures provide load-bearing capability for energy exploitation and transportation in cold regions. Meanwhile, staff and facilities take a risk due to large amounts of distributed macrocracks in ice roads, ice bridges, and ice platforms. It is critical to monitor macrocracks for detecting and understanding the fracture process under such a harsh environment. Aiming to obtain real-time, long-term, and quantitative crack opening information for ice structures, this paper presents a feasibility study on monitoring macrocracks with a low modulus polymer packaged optical fiber sensor. Brillouin optical time-domain analysis-based sensing technology is utilized for the distributed strain measurement. According to in situ monitoring requirements, a type of silicone rubber material with appropriate mechanical properties is selected to fabricate the sensor. On this basis, a strain transfer analysis on the packaged and embedded sensor is carried out to derive the relation between the optical measurement and the increment of the crack width. The prototypes have been evaluated by demonstration tests on a tensile device and an ice road model. The experimental results show the sensor can survive in a cold environment and under the large strain resulting from the macrocrack opening. These measured data agree well with the linear calibration. The macrocracks opening in large-scale ice structures can be characterized based on the optical sensor.

  18. 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

  19. 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.

  20. 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.

  1. Microstructure and Crystal Structure in TAGS Compositions

    SciTech Connect

    Thompson, A. J.; Sharp, J; Rawn, Claudia J

    2009-01-01

    GeTe, a small bandgap semiconductor that has native p-type defects due to Ge vacancies, is an important constituent in the thermoelectric material known as TAGS. TAGS is an acronym for alloys of GeTe with AgSbTe{sub 2}, and compositions are normally designated as TAGS-x, where x is the fraction of GeTe. TAGS-85 is the most important with regard to applications, and there is also commercial interest in TAGS-80. The crystal structure of GeTe{sub 1+{delta}} has a composition-dependent phase transformation at a temperature ranging from 430 C ({delta} = 0) to {approx}400 C ({delta} = 0.02). The high-temperature form is cubic. The low-temperature form is rhombohedral for {delta} < 0.01, as is the case for good thermoelectric performance. Addition of AgSbTe{sub 2} shifts the phase transformation to lower temperatures, and one of the goals of this work is a systematic study of the dependence of transformation temperature on the parameter x. We present results on phase transformations and associated instabilities in TAGS compositions in the range of 70 at.% to 85 at.% GeTe.

  2. 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 [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 inter­action with the two carboxyl­ate O-atom acceptors of the anion. The second aminium-H atom forms an inter-species N—H⋯Ocarboxyl­ate 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 inter­actions, forming a supra­molecular layer parallel to (01-1). PMID:26594560

  3. 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 Å 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

  4. Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications.

    PubMed

    Zhu, Qiang; Oganov, Artem R; Glass, Colin W; Stokes, Harold T

    2012-06-01

    Evolutionary crystal structure prediction proved to be a powerful approach for studying a wide range of materials. Here we present a specifically designed algorithm for the prediction of the structure of complex crystals consisting of well defined molecular units. The main feature of this new approach is that each unit is treated as a whole body, which drastically reduces the search space and improves the efficiency, but necessitates the introduction of new variation operators described here. To increase the diversity of the population of structures, the initial population and part (~20%) of the new generations are produced using space-group symmetry combined with random cell parameters, and random positions and orientations of molecular units. We illustrate the efficiency and reliability of this approach by a number of tests (ice, ammonia, carbon dioxide, methane, benzene, glycine and butane-1,4-diammonium dibromide). This approach easily predicts the crystal structure of methane A containing 21 methane molecules (105 atoms) per unit cell. We demonstrate that this new approach also has a high potential for the study of complex inorganic crystals as shown on examples of a complex hydrogen storage material Mg(BH(4))(2) and elemental boron. PMID:22610672

  5. 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.

  6. 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

  7. Soliton-like structures on a water-ice interface

    NASA Astrophysics Data System (ADS)

    Il'ichev, A. T.

    2015-12-01

    This paper contains a proof of the existence of soliton-like solutions of the complete system of equations describing wave propagation in a fluid of finite depth under an ice cover. These solutions correspond to solitary waves of various kinds propagating along the water-ice interface. The plane-parallel motion is considered in a layer of a perfect fluid of finite depth whose characteristics obey the complete two-dimensional Euler system of equations. The ice cover is modelled by an elastic Kirchhoff-Love plate and has significant thickness, so that the plate's inertia is taken into account in the formulation of the model. The Euler equations contain the additional pressure arising from the presence of the elastic plate floating freely on the fluid surface. The indicated families of solitary waves are parameterized by the speed of the waves, and their existence is proved for speeds lying in some neighbourhood of the critical value corresponding to the quiescent state. The solitary waves, in turn, bifurcate from the quiescent state and lie in some neighbourhood of it. In other words, it is proved that solitary waves of sufficiently small amplitude exist on the water-ice interface. The proof is conducted using the projection of the required system of equations on the centre manifold and a further analysis of the finite-dimensional reduced dynamical system on the centre manifold. Bibliography: 84 titles.

  8. 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.

  9. Ocean circulation off east Antarctica affects ecosystem structure and sea-ice extent.

    PubMed

    Nicol, S; Pauly, T; Bindoff, N L; Wright, S; Thiele, D; Hosie, G W; Strutton, P G; Woehler, E

    2000-08-01

    Sea ice and oceanic boundaries have a dominant effect in structuring Antarctic marine ecosystems. Satellite imagery and historical data have identified the southern boundary of the Antarctic Circumpolar Current as a site of enhanced biological productivity. Meso-scale surveys off the Antarctic peninsula have related the abundances of Antarctic krill (Euphausia superba) and salps (Salpa thompsoni) to inter-annual variations in sea-ice extent. Here we have examined the ecosystem structure and oceanography spanning 3,500 km of the east Antarctic coastline, linking the scales of local surveys and global observations. Between 80 degrees and 150 degrees E there is a threefold variation in the extent of annual sea-ice cover, enabling us to examine the regional effects of sea ice and ocean circulation on biological productivity. Phytoplankton, primary productivity, Antarctic krill, whales and seabirds were concentrated where winter sea-ice extent is maximal, whereas salps were located where the sea-ice extent is minimal. We found enhanced biological activity south of the southern boundary of the Antarctic Circumpolar Current rather than in association with it. We propose that along this coastline ocean circulation determines both the sea-ice conditions and the level of biological productivity at all trophic levels. PMID:10952309

  10. 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.

  11. 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.

  12. Single particle analysis of ice crystal residuals observed in orographic wave clouds over Scandinavia during INTACC experiment

    NASA Astrophysics Data System (ADS)

    Targino, A. C.; Krejci, R.; Noone, K. J.; Glantz, P.

    2006-06-01

    Individual ice crystal residual particles collected over Scandinavia during the INTACC (INTeraction of Aerosol and Cold Clouds) experiment in October 1999 were analyzed by Scanning Electron Microscopy (SEM) equipped with Energy-Dispersive X-ray Analysis (EDX). Samples were collected onboard the British Met Office Hercules C-130 aircraft using a Counterflow Virtual Impactor (CVI). This study is based on six samples collected in orographic clouds. The main aim of this study is to characterize cloud residual elemental composition in conditions affected by different airmasses. In total 609 particles larger than 0.1 μm diameter were analyzed and their elemental composition and morphology were determined. Thereafter a hierarchical cluster analysis was performed on the signal detected with SEM-EDX in order to identify the major particle classes and their abundance. A cluster containing mineral dust, represented by aluminosilicates, Fe-rich and Si-rich particles, was the dominating class of particles, accounting for about 57.5% of the particles analyzed, followed by low-Z particles, 23.3% (presumably organic material) and sea salt (6.7%). Sulfur was detected often across all groups, indicating ageing and in-cloud processing of particles. A detailed inspection of samples individually unveiled a relationship between ice crystal residual composition and airmass origin. Cloud residual samples from clean airmasses (that is, trajectories confined to the Atlantic and Arctic Oceans and/or with source altitude in the free troposphere) were dominated primarily by low-Z and sea salt particles, while continentally-influenced airmasses (with trajectories that originated or traveled over continental areas and with source altitude in the continental boundary layer) contained mainly mineral dust residuals. Comparison of residual composition for similar cloud ambient temperatures around -27°C revealed that supercooled clouds are more likely to persist in conditions where low-Z particles represent significant part of the analyzed cloud residual particles. This indicates that organic material may be poor ice nuclei, in contrast to polluted cases when ice crystal formation was observed at the same environmental conditions and when the cloud residual composition was dominated by mineral dust. The presented results suggest that the chemical composition of cloud nuclei and airmass origin have a strong impact on the ice formation through heterogeneous nucleation in supercooled clouds.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. A Dominant Factor for Structural Classification of Protein Crystals.

    PubMed

    Qi, Fei; Fudo, Satoshi; Neya, Saburo; Hoshino, Tyuji

    2015-08-24

    With the increasing number of solved protein crystal structures, much information on protein shape and atom geometry has become available. It is of great interest to know the structural diversity for a single kind of protein. Our preliminary study suggested that multiple crystal structures of a single kind of protein can be classified into several groups from the viewpoint of structural similarity. In order to broadly examine this finding, cluster analysis was applied to the crystal structures of hemoglobin (Hb), myoglobin (Mb), human serum albumin (HSA), hen egg-white lysozyme (HEWL), and human immunodeficiency virus type 1 protease (HIV-1 PR), downloaded from the Protein Data Bank (PDB). As a result of classification by cluster analysis, 146 crystal structures of Hb were separated into five groups. The crystal structures of Mb (n = 284), HEWL (n = 336), HSA (n = 63), and HIV-1 PR (n = 488) were separated into six, five, three, and six groups, respectively. It was found that a major factor causing these structural separations is the space group of crystals and that crystallizing agents have an influence on the crystal structures. Amino acid mutation is a minor factor for the separation because no obvious point mutation making a specific cluster group was observed for the five kinds of proteins. In the classification of Hb and Mb, the species of protein source such as humans, rabbits, and mice is another significant factor. When the difference in amino sequence is large among species, the species of protein source is the primary factor causing cluster separation in the classification of crystal structures. PMID:26230289

  19. 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.

  20. Structural and Thermoelectric Properties of Tungsten Diselenide Crystals

    NASA Astrophysics Data System (ADS)

    Patel, K. K.; Patel, K. D.; Patel, Mayur; Patel, C. A.; Pathak, V. M.; Srivastava, R.

    2011-12-01

    Crystals of Tungsten diselenide (WSe2) have been grown by direct vapour transport (DVT) technique using micro processor controlled dual zone horizontal furnace. The chemical composition and structure of grown crystals were confirmed using energy dispersive analysis of X-ray (EDAX) and X-ray diffraction (XRD). In the present investigation thermoelectric power measurements (TEP) have been carried out on the grown crystals. Different electrical transport parameters of semiconductors have been determined and discussed in the paper.

  1. Atomic Structure Study of the Quantum Spin-ice Pyrochlore Yb2Ti2O7

    NASA Astrophysics Data System (ADS)

    Mostaed, Ali; Balakrishnan, Geetha; Lees, Martin; Beanland, Richard; Microscopy Team; Superconductivity; Magnetism Team

    The quantum spin-ice candidate Yb2Ti2O7 (YTO) lies on the boundary between a number of competing magnetic ground states. Features in the low-temperature specific heat capacity are found to vary in sharpness and temperature depending on materials processing. It has been suggested that these changes in the magnetic ground state could be influenced by several factors, including the degree of cation stuffing, changes in oxygen occupancy and/or vacancies. In the present work, the structures of three different YTO samples, grown by the optical floating zone technique and that exhibit quite different heat capacity behaviour, have been studied by annular dark field scanning transmission microscopy (ADF-STEM). We show that the detailed intensity distribution around the visible atomic columns is sensitive to the presence of nearby atoms of low atomic number (in this case oxygen), even though they are not directly visible in the images. To the best of our knowledge, this is the first time that oxygen columns with a distance of ~30 pm have been distinguished in ADF-STEM images. Furthermore, by comparing atomic columns with different configurations of nearby oxygen atoms, we are able to distinguish between the different YTO samples Finally, the ADF data for the crystal that exhibits no specific heat anomaly shows signs of the substitution of Yb atoms on Ti sites, supporting the view that the magnetic ground state of YTO is extremely sensitive to disorder.

  2. 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.

  3. Photostimulated structural changes of liquid crystal physical gels

    NASA Astrophysics Data System (ADS)

    Moriyama, Masaya; Mizoshita, Norihiro; Kato, Takashi

    2004-10-01

    Photoresponsive liquid crystal physical gels are formed from a hydrogen-bonded gelator containing photochromic azobenzene moieties and nematic or discotic liquid crystals. The bistable gel structures based on the trans-azobenzene gelator could be achieved by combining the trans-cis photoisomerization of the azobenzene moieties and thermal treat-ment. Upon UV irradiation, the trans-cis photoisomerization causes the transition from the initial gel states to the liquid crystal sol states. The cis-trans back-isomerization causes reaggregation of the trans-gelator in the liquid crystals. This leads to the formation of the second gel states which have the structures reflecting the liquid crystal order. The initial gel states can be reversibly changed to the reformed gel states by photoirradiation and thermal treatments. The photo-induced reversible structural changes of the anisotropic physical gels are applied to rewritable information recordings.

  4. [Validation of the crystal structure of medicinal realgar in China].

    PubMed

    Zhang, Zhi-Jie; Zhou, Qun; Wei, Jing-Zhi; Zhang, Yan-Ling; Sun, Su-Qin; Huang, Lu-Qi; Yuan, Si-Tong

    2011-02-01

    The crystal structure of medicated realgar in China was validated as alpha-As4 S4 by X-ray diffraction and Raman spectroscopy in the present paper. Ten batches of medicinal realgar were analyzed including realgar ore, medicinal realgar powder, and prepared Chinese medicine. Identification of two As4 S4 polymorphs confirmed that the crystal structure of medicated realgar in China is alpha-As4 S4. Studies on 18 batches of preparative realgar powder showed that processing of realgar can not change the crystal structure of realgar. PMID:21510367

  5. 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)°.

  6. Changes in the firn structure of the western Greenland Ice Sheet caused by recent warming

    SciTech Connect

    de la Peña, S.; Howat, I. M.; Nienow, P. W.; van den Broeke, M. R.; Mosley-Thompson, E.; Price, S. F.; Mair, D.; Noël, B.; Sole, A. J.

    2015-06-11

    Atmospheric warming over the Greenland Ice Sheet during the last 2 decades has increased the amount of surface meltwater production, resulting in the migration of melt and percolation regimes to higher altitudes and an increase in the amount of ice content from refrozen meltwater found in the firn above the superimposed ice zone. Here we present field and airborne radar observations of buried ice layers within the near-surface (0–20 m) firn in western Greenland, obtained from campaigns between 1998 and 2014. We find a sharp increase in firn-ice content in the form of thick widespread layers in the percolation zone, which decreases the capacity of the firn to store meltwater. The estimated total annual ice content retained in the near-surface firn in areas with positive surface mass balance west of the ice divide in Greenland reached a maximum of 74 ± 25 Gt in 2012, compared to the 1958–1999 average of 13 ± 2 Gt, while the percolation zone area more than doubled between 2003 and 2012. Increased melt and column densification resulted in surface lowering averaging –0.80 ± 0.39 m yr⁻¹ between 1800 and 2800 m in the accumulation zone of western Greenland. Since 2007, modeled annual melt and refreezing rates in the percolation zone at elevations below 2100 m surpass the annual snowfall from the previous year, implying that mass gain in the region is retained after melt in the form of refrozen meltwater. If current melt trends over high elevation regions continue, subsequent changes in firn structure will have implications for the hydrology of the ice sheet and related abrupt seasonal densification could become increasingly significant for altimetry-derived ice sheet mass balance estimates.

  7. Changes in the firn structure of the western Greenland Ice Sheet caused by recent warming

    NASA Astrophysics Data System (ADS)

    de la Peña, S.; Howat, I. M.; Nienow, P. W.; van den Broeke, M. R.; Mosley-Thompson, E.; Price, S. F.; Mair, D.; Noël, B.; Sole, A. J.

    2015-06-01

    Atmospheric warming over the Greenland Ice Sheet during the last 2 decades has increased the amount of surface meltwater production, resulting in the migration of melt and percolation regimes to higher altitudes and an increase in the amount of ice content from refrozen meltwater found in the firn above the superimposed ice zone. Here we present field and airborne radar observations of buried ice layers within the near-surface (0-20 m) firn in western Greenland, obtained from campaigns between 1998 and 2014. We find a sharp increase in firn-ice content in the form of thick widespread layers in the percolation zone, which decreases the capacity of the firn to store meltwater. The estimated total annual ice content retained in the near-surface firn in areas with positive surface mass balance west of the ice divide in Greenland reached a maximum of 74 ± 25 Gt in 2012, compared to the 1958-1999 average of 13 ± 2 Gt, while the percolation zone area more than doubled between 2003 and 2012. Increased melt and column densification resulted in surface lowering averaging -0.80 ± 0.39 m yr-1 between 1800 and 2800 m in the accumulation zone of western Greenland. Since 2007, modeled annual melt and refreezing rates in the percolation zone at elevations below 2100 m surpass the annual snowfall from the previous year, implying that mass gain in the region is retained after melt in the form of refrozen meltwater. If current melt trends over high elevation regions continue, subsequent changes in firn structure will have implications for the hydrology of the ice sheet and related abrupt seasonal densification could become increasingly significant for altimetry-derived ice sheet mass balance estimates.

  8. Changes in the firn structure of the western Greenland Ice Sheet caused by recent warming

    DOE PAGESBeta

    de la Peña, S.; Howat, I. M.; Nienow, P. W.; van den Broeke, M. R.; Mosley-Thompson, E.; Price, S. F.; Mair, D.; Noël, B.; Sole, A. J.

    2015-06-11

    Atmospheric warming over the Greenland Ice Sheet during the last 2 decades has increased the amount of surface meltwater production, resulting in the migration of melt and percolation regimes to higher altitudes and an increase in the amount of ice content from refrozen meltwater found in the firn above the superimposed ice zone. Here we present field and airborne radar observations of buried ice layers within the near-surface (0–20 m) firn in western Greenland, obtained from campaigns between 1998 and 2014. We find a sharp increase in firn-ice content in the form of thick widespread layers in the percolation zone,more » which decreases the capacity of the firn to store meltwater. The estimated total annual ice content retained in the near-surface firn in areas with positive surface mass balance west of the ice divide in Greenland reached a maximum of 74 ± 25 Gt in 2012, compared to the 1958–1999 average of 13 ± 2 Gt, while the percolation zone area more than doubled between 2003 and 2012. Increased melt and column densification resulted in surface lowering averaging –0.80 ± 0.39 m yr⁻¹ between 1800 and 2800 m in the accumulation zone of western Greenland. Since 2007, modeled annual melt and refreezing rates in the percolation zone at elevations below 2100 m surpass the annual snowfall from the previous year, implying that mass gain in the region is retained after melt in the form of refrozen meltwater. If current melt trends over high elevation regions continue, subsequent changes in firn structure will have implications for the hydrology of the ice sheet and related abrupt seasonal densification could become increasingly significant for altimetry-derived ice sheet mass balance estimates.« less

  9. Microphysical Consequences of the Spatial Distribution of Ice Nucleation in Mixed-Phase Stratiform Clouds

    SciTech Connect

    Yang, Fan; Ovchinnikov, Mikhail; Shaw, Raymond A.

    2014-07-28

    Mixed-phase stratiform clouds can persist even with steady ice precipitation fluxes, and the origin and microphysical properties of the ice crystals are of interest. Vapor deposition growth and sedimentation of ice particles along with a uniform volume source of ice nucleation, leads to a power law relation between ice water content wi and ice number concentration ni with exponent 2.5. The result is independent of assumptions about the vertical velocity structure of the cloud and is therefore more general than the related expression of Yang et al. [2013]. The sensitivity of the wi-ni relationship to the spatial distribution of ice nucleation is confirmed by Lagrangian tracking and ice growth with cloud-volume, cloud-top, and cloud-base sources of ice particles through a time-dependent cloud field. Based on observed wi and ni from ISDAC, a lower bound of 0.006 m^3/s is obtained for the ice crystal formation rate.

  10. Single particle analysis of ice crystal residuals observed in orographic wave clouds over Scandinavia during INTACC experiment

    NASA Astrophysics Data System (ADS)

    Targino, A. C.; Krejci, R.; Noone, K. J.; Glantz, P.

    2005-09-01

    Individual ice crystal residual particles collected over Scandinavia during the INTACC (INTeraction of Aerosol and Cold Clouds) experiment in October 1999 were analyzed by Scanning Electron Microscopy (SEM) equipped with Energy-Dispersive X-ray Analysis (EDX). Samples were collected onboard the British Met Office Hercules C-130 aircraft using a Counterflow Virtual Impactor (CVI). This study is based on six samples collected in orographic clouds. The main aim of this study is to characterize cloud residual elemental composition in conditions affected by different airmasses. In total 609 particles larger than 0.1 µm diameter were analyzed and their elemental composition and morphology were determined. Thereafter a hierarchical cluster analysis was performed on the signal detected with SEM-EDX in order to identify the major particle classes and their abundance. A cluster containing mineral dust, represented by aluminosilicates, Fe-rich and Si-rich particles, was the dominating class of particles, accounting for about 57.5% of the particles analyzed, followed by low-Z particles, 23.3% (presumably organic material) and sea salt (6.7%). Sulfur was detected often across all groups, indicating ageing and in-cloud processing of particles. A detailed inspection of samples individually unveiled a relationship between ice crystal residual composition and airmass origin. Cloud residual samples from clean airmasses (that is, trajectories confined to the Atlantic and Arctic Oceans and/or with source altitude in the free troposphere) were dominated primarily by low-Z and sea salt particles, while continentally-influenced airmasses (with trajectories that originated or traveled over continental areas and with source altitude in the continental boundary layer) contained mainly mineral dust residuals. Comparison of residual composition for similar cloud ambient temperatures around -27°C revealed that supercooled clouds are more likely to persist in conditions where low-Z particles represent significant part of the analyzed cloud residual particles. This indicates that organic material inhibits freezing, in contrast to polluted cases when ice crystal formation was observed at the same conditions and when the cloud residual composition was dominated by mineral dust. The presented results suggest that the chemical composition of cloud nuclei and airmass origin have a strong impact on the ice formation through heterogeneous freezing in supercooled clouds.

  11. Errors in Crystal structure of HINT from Helicobacter pylori

    PubMed Central

    Maize, Kimberly M.

    2016-01-01

    Inaccuracies in the article, Crystal structure of HINT from Helicobacter pylori by Tarique et al. [(2016) Acta Cryst. F72, 42–48] are presented, and a brief history of HINT nomenclature is discussed. PMID:27050269

  12. Errors in Crystal structure of HINT from Helicobacter pylori.

    PubMed

    Maize, Kimberly M

    2016-04-01

    Inaccuracies in the article, Crystal structure of HINT from Helicobacter pylori by Tarique et al. [(2016) Acta Cryst. F72, 42-48] are presented, and a brief history of HINT nomenclature is discussed. PMID:27050269

  13. Determination of channeling perspectives for complex crystal structures

    SciTech Connect

    Allen, W.R.

    1993-03-01

    Specification of the atomic arrangement for axes and planes of high symmetry is essential for crystal alignment using Rutherford backscattering and for studies of the lattice location of impurities in single crystals. By rotation of an inscribed orthogonal coordinate system, a visual image for a given perspective of a crystal structure can be specified. Knowledge of the atomic arrangement permits qualitative channeling perspectives to be visualized and calculation of continuum potentials for channeling. Channeling angular-yield profiles can then be analytically modeled and, subsequently, shadowing by host atoms of positions within the unit cell predicted. Software to calculate transformed atom positions for a channeling perspective in a single crystal are described and illustrated for the spinel crystal structure.

  14. Crystal structure of a methimazole-based ionic liquid.

    PubMed

    Gaitor, Jamie C; Zayas, Manuel Sanchez; Myrthil, Darrel J; White, Frankie; Hendrich, Jeffrey M; Sykora, Richard E; O'Brien, Richard A; Reilly, John T; Mirjafari, Arsalan

    2015-12-01

    The structure of 1-methyl-2-(prop-2-en-1-ylsulfan-yl)-1H-imidazol-3-ium bromide, C7H11N2S(+)·Br(-), has monoclinic (P21/c) symmetry. In the crystal, the components are linked by N-H⋯Br and C-H⋯Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole reacts through the thione tautomer, rather than the thiol tautomer in this system. PMID:26870468

  15. Crystal structure of a methimazole-based ionic liquid

    PubMed Central

    Gaitor, Jamie C.; Zayas, Manuel Sanchez; Myrthil, Darrel J.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; O’Brien, Richard A.; Reilly, John T.; Mirjafari, Arsalan

    2015-01-01

    The structure of 1-methyl-2-(prop-2-en-1-ylsulfan­yl)-1H-imidazol-3-ium bromide, C7H11N2S+·Br−, has monoclinic (P21/c) symmetry. In the crystal, the components are linked by N—H⋯Br and C—H⋯Br hydrogen bonds. The crystal structure of the title compound undeniably proves that methimazole reacts through the thione tautomer, rather than the thiol tautomer in this system. PMID:26870468

  16. Bursting money bins, the ice and water structure

    NASA Astrophysics Data System (ADS)

    Bagnoli, Franco

    2015-05-01

    In the classic comics by Carl Barks, "The Big Bin on Killmotor Hill" [1], Uncle Scrooge, trying to defend his money bin from the Beagle Boys, follows a suggestion by Donald Duck, and fills the bin with water. Unfortunately, that night is going be the coldest one in the history of Ducksburg. The water freezes, bursting the "ten-foot walls'' of the money bin, and finally the gigantic cube of ice and dollars slips down the hill up to the Beagle Boys lot.

  17. The Crystal and Molecular Structure of Dianhydrogossypol

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Dianhydrogossypol (4,4'-dihydroxy-5,5'-diisopropyl-7,7'-dimethyl-bis(3H-naphtho[1,8-bc]furan-3-one)) was made by refluxing gossypol in m-xylene. Proton NMR confirmed that complete conversion was achieved over several hours. Single crystals were obtained by slow evaporation of the product from dichl...

  18. Allophycocyanin and phycocyanin crystal structures reveal facets of phycobilisome assembly.

    PubMed

    Marx, Ailie; Adir, Noam

    2013-03-01

    X-ray crystal structures of the isolated phycobiliprotein components of the phycobilisome have provided high resolution details to the description of this light harvesting complex at different levels of complexity and detail. The linker-independent assembly of trimers into hexamers in crystal lattices of previously determined structures has been observed in almost all of the phycocyanin (PC) and allophycocyanin (APC) structures available in the Protein Data Bank. In this paper we describe the X-ray crystal structures of PC and APC from Synechococcus elongatus sp. PCC 7942, PC from Synechocystis sp. PCC 6803 and PC from Thermosynechococcus vulcanus crystallized in the presence of urea. All five structures are highly similar to other PC and APC structures on the levels of subunits, monomers and trimers. The Synechococcus APC forms a unique loose hexamer that may show the structural requirements for core assembly and rod attachment. While the Synechococcus PC assembles into the canonical hexamer, it does not further assemble into rods. Unlike most PC structures, the Synechocystis PC fails to form hexamers. Addition of low concentrations of urea to T. vulcanus PC inhibits this proteins propensity to form hexamers, resulting in a crystal lattice composed of trimers. The molecular source of these differences in assembly and their relevance to the phycobilisome structure is discussed. PMID:23201474

  19. Millimeter-wave Bragg diffraction of microfabricated crystal structures

    NASA Astrophysics Data System (ADS)

    Yuan, C. P.; Lin, S. Y.; Chang, T. H.; Shew, B. Y.

    2011-06-01

    A compact diffraction apparatus is developed with millimeter-wave propagation between two parallel plates. Two types of microfabricated model crystals are individually mounted on a rotatable structure. In contrast to previous work, the experimental results agree well with Bragg's predictions because multiple scattering is minimized in this configuration. Factors that affect the resolution and signal strength, such as the number of scatterers, cylinder radius, and the distance between the detector and the model crystal, are analyzed. The apparatus offers a visually accessible way to teach students about crystal structure as well as scattering and diffraction.

  20. Crystal structure of a actinide metals at high compression

    SciTech Connect

    Fast, L.; Soederlind, P.

    1996-05-01

    The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure. {copyright} {ital 1996 American Institute of Physics.}

  1. Membrane protein structures without crystals, by single particle electron cryomicroscopy

    PubMed Central

    Vinothkumar, Kutti R

    2015-01-01

    It is an exciting period in membrane protein structural biology with a number of medically important protein structures determined at a rapid pace. However, two major hurdles still remain in the structural biology of membrane proteins. One is the inability to obtain large amounts of protein for crystallization and the other is the failure to get well-diffracting crystals. With single particle electron cryomicroscopy, both these problems can be overcome and high-resolution structures of membrane proteins and other labile protein complexes can be obtained with very little protein and without the need for crystals. In this review, I highlight recent advances in electron microscopy, detectors and software, which have allowed determination of medium to high-resolution structures of membrane proteins and complexes that have been difficult to study by other structural biological techniques. PMID:26435463

  2. Structure of orthorhombic crystals of beef liver catalase.

    PubMed

    Ko, T P; Day, J; Malkin, A J; McPherson, A

    1999-08-01

    The growth mechanisms and physical properties of the orthorhombic crystal form of beef liver catalase were investigated using in situ atomic force microscopy (AFM). It was observed that the crystals grow in the <001> direction by an unusual progression of sequential two-dimensional nuclei of half unit-cell layers corresponding to the 'bottoms' and 'tops' of unit cells. These were easily discriminated by their alternating asymmetric shapes and their strong growth-rate anisotropy. This pattern has not previously been observed with other macromolecular crystals. Orthorhombic beef liver catalase crystals exhibit an extremely high defect density and incorporate great numbers of misoriented microcrystals, revealed intact by etching experiments, which may explain their marginal diffraction properties. To facilitate interpretation of AFM results in terms of intermolecular interactions, the structure of the orthorhombic crystals, having an entire tetramer of the enzyme as the asymmetric unit, was solved by molecular replacement using a model derived from a trigonal crystal form. It was subsequently refined by conventional techniques. Although the packing of molecules in the two unit cells was substantially different, with very few exceptions no significant differences in the molecular structures were observed. In addition, no statistically significant deviation from ideal 222 molecular symmetry appeared within the tetramer. The packing of molecules in the crystal revealed by X-ray analysis explained in a satisfying way the process of crystal growth revealed by AFM. PMID:10417406

  3. Homodiselenacalix[4]arenes: Molecules with Unique Channelled Crystal Structures.

    PubMed

    Thomas, Joice; Dobrza?ska, Liliana; Van Meervelt, Luc; Quevedo, Mario Alfredo; Wo?niak, Krzysztof; Stachowicz, Marcin; Smet, Mario; Maes, Wouter; Dehaen, Wim

    2016-01-01

    A synthetic route towards homodiselenacalix[4]arene macrocycles is presented, based on the dynamic covalent chemistry of diselenides. The calixarene inner rim is decorated with either alkoxy or tert-butyl ester groups. Single-crystal X-ray analysis of two THF solvates with methoxy and ethoxy substituents reveals the high similarity of their molecular structures and alterations on the supramolecular level. In both crystal structures, solvent channels are present and differ in both shape and capacity. Furthermore, the methoxy-substituted macrocycle undergoes a single-crystal-to-single-crystal transformation during which the molecular structure changes its conformation from 1,3-alternate (loaded with THF/water) to 1,2-alternate (apohost form). Molecular modelling techniques were applied to explore the conformational and energetic behaviour of the macrocycles. PMID:26639087

  4. An unconventional bilayer ice structure on a NaCl(001) film

    NASA Astrophysics Data System (ADS)

    Chen, Ji; Guo, Jing; Meng, Xiangzhi; Peng, Jinbo; Sheng, Jiming; Xu, Limei; Jiang, Ying; Li, Xin-Zheng; Wang, En-Ge

    2014-05-01

    Water-solid interactions are of broad importance both in nature and technology. The hexagonal bilayer model based on the Bernal-Fowler-Pauling ice rules has been widely adopted to describe water structuring at interfaces. Using a cryogenic scanning tunnelling microscope, here we report a new type of two-dimensional ice-like bilayer structure built from cyclic water tetramers on an insulating NaCl(001) film, which is completely beyond this conventional bilayer picture. A novel bridging mechanism allows the interconnection of water tetramers to form chains, flakes and eventually a two-dimensional extended ice bilayer containing a regular array of Bjerrum D-type defects. Ab initio density functional theory calculations substantiate this bridging growth mode and reveal a striking proton-disordered ice structure. The formation of the periodic Bjerrum defects with unusually high density may have a crucial role as H donor sites in directing multilayer ice growth and in catalysing heterogeneous chemical reactions on water-coated salt surfaces.

  5. An unconventional bilayer ice structure on a NaCl(001) film.

    PubMed

    Chen, Ji; Guo, Jing; Meng, Xiangzhi; Peng, Jinbo; Sheng, Jiming; Xu, Limei; Jiang, Ying; Li, Xin-Zheng; Wang, En-Ge

    2014-01-01

    Water-solid interactions are of broad importance both in nature and technology. The hexagonal bilayer model based on the Bernal-Fowler-Pauling ice rules has been widely adopted to describe water structuring at interfaces. Using a cryogenic scanning tunnelling microscope, here we report a new type of two-dimensional ice-like bilayer structure built from cyclic water tetramers on an insulating NaCl(001) film, which is completely beyond this conventional bilayer picture. A novel bridging mechanism allows the interconnection of water tetramers to form chains, flakes and eventually a two-dimensional extended ice bilayer containing a regular array of Bjerrum D-type defects. Ab initio density functional theory calculations substantiate this bridging growth mode and reveal a striking proton-disordered ice structure. The formation of the periodic Bjerrum defects with unusually high density may have a crucial role as H donor sites in directing multilayer ice growth and in catalysing heterogeneous chemical reactions on water-coated salt surfaces. PMID:24874452

  6. Size, separation, structural order, and mass density of molecules packing in water and ice

    PubMed Central

    Huang, Yongli; Zhang, Xi; Ma, Zengsheng; Li, Wen; Zhou, Yichun; Zhou, Ji; Zheng, Weitao; Sun, Chang Q.

    2013-01-01

    The structural symmetry and molecular separation in water and ice remain uncertain. We present herewith a solution to unifying the density, the structure order and symmetry, the size (H-O length dH), and the separation (dOO = dL + dH or the O:H length dL) of molecules packing in water and ice in terms of statistic mean. This solution reconciles: i) the dL and the dH symmetrization of the O:H-O bond in compressed ice, ii) the dOO relaxation of cooling water and ice and, iii) the dOO expansion of a dimer and between molecules at water surface. With any one of the dOO, the density ρ(g·cm−3), the dL, and the dH, as a known input, one can resolve the rest quantities using this solution that is probing conditions or methods independent. We clarified that: i) liquid water prefers statistically the mono-phase of tetrahedrally-coordinated structure with fluctuation, ii) the low-density phase (supersolid phase as it is strongly polarized with even lower density) exists only in regions consisting molecules with fewer than four neighbors and, iii) repulsion between electron pairs on adjacent oxygen atoms dictates the cooperative relaxation of the segmented O:H-O bond, which is responsible for the performance of water and ice. PMID:24141643

  7. Predicting the melting temperature of ice-Ih with only electronic structure information as input

    NASA Astrophysics Data System (ADS)

    Pinnick, Eric R.; Erramilli, Shyamsunder; Wang, Feng

    2012-07-01

    The melting temperature of ice-Ih was calculated with only electronic structure information as input by creating a problem-specific force field. The force field, Water model by AFM for Ice and Liquid (WAIL), was developed with the adaptive force matching (AFM) method by fitting to post-Hartree-Fock quality forces obtained in quantum mechanics/molecular mechanics calculations. WAIL predicts the ice-Ih melting temperature to be 270 K. The model also predicts the densities of ice and water, the temperature of maximum density of water, the heat of vaporizations, and the radial distribution functions for both ice and water in good agreement with experimental measurements. The non-dissociative WAIL model is very similar to a flexible version of the popular TIP4P potential and has comparable computational cost. By customizing to problem-specific configurations with the AFM approach, the resulting model is remarkably more accurate than any variants of TIP4P for simulating ice-Ih and water in the temperature range from 253 K and 293 K under ambient pressure.

  8. A novel actuator phasing method for ultrasonic de-icing of aircraft structures

    NASA Astrophysics Data System (ADS)

    Borigo, Cody J.

    Aircraft icing is a critical concern for commercial and military rotorcraft and fixed-wing aircraft. In-flight icing can lead to dramatic decreases in lift and increases in drag that have caused more than a thousand deaths and hundreds of accidents over the past three decades alone. Current ice protection technologies have substantial drawbacks due to weight, power consumption, environmental concerns, or incompatibility with certain structures. In this research, an actuator phasing method for ultrasonic de-icing of aircraft structures was developed and tested using a series of finite element models, 3D scanning laser Doppler vibrometer measurements, and experimental de-icing tests on metallic and composite structures including plates and airfoils. An independent actuator analysis method was developed to allow for practical evaluation of many actuator phasing scenarios using a limited number of finite element models by properly calculating the phased stress fields and electromechanical impedance curves using a complex coupled impedance model. A genetic algorithm was utilized in conjunction with a series of finite element models to demonstrate that phase inversion, in which only in-phase and anti-phase signal components are applied to actuators, can be utilized with a small number of phasing combinations to achieve substantial improvements in de-icing system coverage. Finite element models of a 48"-long airfoil predicted that phase inversion with frequency sweeping can provide an improvement in the shear stress coverage levels of up to 90% compared to frequency sweeping alone. Experimental evaluation of the phasing approach on an icing grid showed a 189% improvement in de-icing coverage compared to frequency sweeping alone at comparable power levels. 3D scanning laser Doppler vibrometer measurements confirmed the increased variation in the surface vibration field induced by actuator phasing compared to unphased frequency sweeping. Additional contributions were made to facilitate actuator phasing and to advance the state-of-the-art in ultrasonic de-icing technology. These contributions include the development of improved frequency optimization, reduction in the size of the system hardware, and improvements in actuator bonding techniques. It was demonstrated that a dynamic frequency selection method is critical to effectively implementing the actuator phasing method. A miniaturized relay system was also designed and implemented to facilitate actuator phasing in conjunction with a phase splitter circuit and a single amplifier. An improved frequency tuning method was adopted and implemented in the de-icing system to eliminate the need for an impedance analyzer and to provide more accurate frequency selection by directly measuring the forward and reflected power between the amplifier and the de-icing actuators. Overall, it was demonstrated that this novel method can greatly improve the efficiency and effectiveness of the ultrasonic de-icing system by effectively redistributing the shear stress fields at the ice-structure interface, and that this method can be practically implemented in the de-icing system with an overall reduction in size and weight compared to previous versions of the technology.

  9. Microbial production of ice crystals in clouds as a novel atmospheric biosignature

    NASA Astrophysics Data System (ADS)

    Santl-Temkiv, T.; Sahyoun, M.; Kjeldsen, H.; Ling, M.; Boesen, T.; Karlson, U. G.; Finster, K.

    2014-03-01

    A diverse assembly of exoplanets has been discovered during recent decades (Howard 2013), their atmospheres providing some of the most accessible evidence for the presence of biological activity on these planets. Metabolic gases have been commonly proposed as atmospheric biosignatures (Seager et al 2012). However, airborne microbes are also involved in cloud- and precipitation formation on Earth. Thus, meteorological phenomena may serve as alternative atmospheric biosignatures, for which appropriate observational techniques have yet to be developed. The atmospheric part of the Earth's water cycle heavily relies on the presence of nucleating particles, which promote the condensation and freezing of atmospheric water, both potentially leading to precipitation. While cloud condensation nuclei are diverse and relatively common, ice nuclei are poorly understood and comparably rare airborne particles. According to current knowledge, most ice nucleation below ñ15∞C is driven by the presence of inorganic dust particles, which are considered inactive at higher temperatures. Biogenic IN are the only reported particles that promote ice formation above ñ10∞C. Some bacteria, e.g. Pseudomonas syringae, produce Ice Nucleation Active (INA) proteins that are most efficient ice nuclei currently known. These INA bacteria are common in the atmosphere, and may thus be involved in precipitation processes of mixed phase clouds (Möhler et al 2007). We investigate the relevance of bacterial INA proteins for atmospheric processes using three approaches: (i) study of the presence of INA bacteria and their INA proteins in the atmosphere, (ii) a detailed molecular and physical study of isolated INA proteins, and finally (iii) a modeling study of the importance of INA proteins for ice-path in clouds as well as their importance for precipitation. During 14 precipitation events, we observed that 12% of isolated bacteria carried INA genes. INA bacteria had likely been emitted to the atmosphere from terrestrial surfaces, e.g. by convective transport. Additionally, we found INA biological fragments <220 nm in two precipitation samples (199, 482 INA per L), which indicates that in addition to intact cells, bacterial fragments that are more abundant than cells could also impact atmospheric processes. In order to study isolated INA proteins, we sequenced the INA gene from one of the isolated bacteria, Pseudomonas sp. R10.79. The INA gene will be expressed, purified and introduced into nano-discs. These INA nano-discs will facilitate a detailed molecular and physical study of INA proteins and its ice active properties. Most of modeling approaches rely on parameterizations based on classical nucleation theory, e.g. CH08 (Chen et al 2008), when introducing INA bacteria into climate models. Instead, we used an experimentally derived parameterization HAR13 (Hartmann et al 2013), when introducing bacteria into a 1-d operational weather forecast model HIRLAM (Unden et al 2002). By comparison HAR13 yields more ice and is more sensitive to the change of bacterial densities than CH08. While CH08 is a function of the size of the ice nuclei, HAR13 is a function of the number of INA protein complexes. INA protein complexes are the locations where the nucleation occurs and their number appears to be a more important parameter than cell size. We suggest that the study of individual INA proteins complexes both alone and on cell surfaces will lead to a better understanding of ice nucleation by INA bacteria.

  10. Crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1)

    PubMed Central

    Bhardwaj, Rajni M.; Yang, Huaiyu; Florence, Alastair J.

    2016-01-01

    The title 1:1 co-crystal, C11H14O3·C6H6N2O [systematic name: butyl 4-hy­droxy­benzoate–isonicotinamide (1/1)], crystallizes with one mol­ecule of butyl­paraben (BPN) and one mol­ecule of isonicotinamide (ISN) in the asymmetric unit. In the crystal, BPN and ISN mol­ecules form hydrogen-bonded (O—H⋯N and N—H⋯O) dimers of paired BPN and ISN mol­ecules. These dimers are further connected to each other via N—H⋯O=C hydrogen bonds, creating ribbons in [011] which further stack along the a axis to form a layered structure with short C⋯C contacts of 3.285 (3) Å. Packing inter­actions within the crystal structure were assessed using PIXEL calculations. PMID:26870584