Science.gov

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. Structure Of Ice Crystallized From Supercooled Water: Stacking Disordered Ice

    NASA Astrophysics Data System (ADS)

    Malkin, T. L.; Murray, B. J.; Brukhno, A.; Anwar, J.; Salzmann, C.

    2012-12-01

    At atmospheric pressures ice is thought to exist in two well defined crystalline forms: stable hexagonal ice and metastable cubic ice. A metastable form of ice is thought to form in the atmosphere [1] Using X-ray diffraction data and Monte Carlo simulations; we show that ice that crystallizes both homogeneously and heterogeneously from supercooled water adopts neither of these two phases. The resulting ice is disordered in one dimension and consequently does not possess either cubic or hexagonal symmetry. It is instead composed of randomly stacked layers of cubic and hexagonal sequences. We refer to this ice as stacking-disordered ice I (ice Isd ) [2]. While similar stacking disorder has been reported before, such observations have been restricted to either samples re-crystallised from high-pressure ice phases [3] or ice formation in mesopores [4]. Review of the literature reveals that almost all ice previously identified as cubic ice in diffraction studies, which have used an array of methodologies to generate the ice, were most likely stacking-disordered ice I with varying degrees of stacking disorder. Our results suggest that the initial phase of ice formed when water freezes is the metastable stacking-disordered ice I which forms independent of the method of nucleation. Stacking-disordered ice may be the kinetic product, i.e. the material which forms fastest. Accordingly, we suggest that stacking-disordered ice is always the phase to crystallise when water freezes. In many situations it will relax to the stable hexagonal phase with time. Stacking-disordered ice may persist in the colder parts of the atmosphere and form irregular or rough crystals similar to many smaller quasi spherical ice crystals observed in the earth's atmosphere. [1] B. J. Murray et al., Nature, 2005, 434, 202-205 [2] T. L. Malkin et al., PNAS, 2012, 109 (4): 1041 - 1045 [3] T. C. Hansen et al., J. Phys. Condens. Matter, 2008, 20, 285105. [4] K. Morishige et al., J. Phys. Chem. C, 2009, 113

  3. 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.

  4. 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)

  5. 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

  6. 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

  7. 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.

  8. Polarization structure of lidar signals reflected from ice crystal clouds.

    PubMed

    Krekov, Georgii M; Krekova, Margarita M; Romashov, Dmitrii N; Shamanaev, Vitalii S

    2005-07-01

    Polarization characteristics of signals of a monostatic lidar intended for sensing of homogeneous ice crystal clouds are calculated by the Monte Carlo method. Clouds are modeled as monodisperse ensembles of randomly oriented hexagonal ice crystals. The polarization state of multiply scattered lidar signal components is analyzed for different scattering orders depending on the crystal shapes and sizes as well as on the optical and geometrical conditions of observation. Light-scattering phase matrices (SPMs), calculated by the beam splitting method (BSM), are used as input data for solving the vector radiative transfer equation. The principles of the BSM method are briefly described, and the SPM components are given for hexagonal ice plates and columns of different sizes and linearly polarized incident radiation with the wavelength lambda = 0.55 microm.

  9. 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

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

    PubMed

    Moore, Emily B; Molinero, Valeria

    2011-11-23

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

  11. 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…

  12. 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

  13. Bacterial ice crystal controlling proteins.

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

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

    PubMed

    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

    2014-07-22

    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.

  16. 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

  17. Effects of ice-crystal structure on halo formation: cirrus cloud experimental and ray-tracing modeling studies.

    PubMed

    Sassen, K; Knight, N C; Takano, Y; Heymsfield, A J

    1994-07-20

    During the 1986 Project FIRE (First International Satellite Cloud Climatology Project Regional Experiment) field campaign, four 22° halo-producing cirrus clouds were studied jointly from a groundbased 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.

  18. 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.

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

    NASA Technical Reports Server (NTRS)

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

    2016-01-01

    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 earlier (Refs. 1 and 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 test (Ref. 3) 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.

  20. 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.

  1. Supernumerary ice-crystal halos?

    PubMed

    Berry, M V

    1994-07-20

    Geometric-optics singularities in the intensity profiles of refraction halos formed by randomly oriented ice crystals are softened by diffraction and decorated with fine supernumerary fringes. If the crystals have a fixed symmetry axis (as in parhelia), the geometric singularity is a square-root divergence, as in the rainbow. However, the universal curve that describes diffraction is different from the rainbow's Airy function, with weak maxima (supernumerary fringes) on the geometrically dark region inside the halo (and even fainter fringes outside); these are much smaller than their counterparts on the light side of rainbows. If the crystals have no preferred orientation (as in the 22° halo), the geometric singularity is a step. In this case the universal diffraction function has no maxima, and its supernumeraries are shoulders rather than maxima. The low contrast of the fringes is probably the main reason why supernumerary halos are rarely if ever seen. PMID:20935824

  2. 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

  3. Ice cream structural elements that affect melting rate and hardness.

    PubMed

    Muse, M R; Hartel, R W

    2004-01-01

    Statistical models were developed to reveal which structural elements of ice cream affect melting rate and hardness. Ice creams were frozen in a batch freezer with three types of sweetener, three levels of the emulsifier polysorbate 80, and two different draw temperatures to produce ice creams with a range of microstructures. Ice cream mixes were analyzed for viscosity, and finished ice creams were analyzed for air cell and ice crystal size, overrun, and fat destabilization. The ice phase volume of each ice cream were calculated based on the freezing point of the mix. Melting rate and hardness of each hardened ice cream was measured and correlated with the structural attributes by using analysis of variance and multiple linear regression. Fat destabilization, ice crystal size, and the consistency coefficient of the mix were found to affect the melting rate of ice cream, whereas hardness was influenced by ice phase volume, ice crystal size, overrun, fat destabilization, and the rheological properties of the mix.

  4. Ice recrystallization inhibition in ice cream as affected by ice structuring proteins from winter wheat grass.

    PubMed

    Regand, A; Goff, H D

    2006-01-01

    Ice recrystallization in quiescently frozen sucrose solutions that contained some of the ingredients commonly found in ice cream and in ice cream manufactured under commercial conditions, with or without ice structuring proteins (ISP) from cold-acclimated winter wheat grass extract (AWWE), was assessed by bright field microscopy. In sucrose solutions, critical differences in moisture content, viscosity, ionic strength, and other properties derived from the presence of other ingredients (skim milk powder, corn syrup solids, locust bean gum) caused a reduction in ice crystal growth. Significant ISP activity in retarding ice crystal growth was observed in all solutions (44% for the most complex mix) containing 0.13% total protein from AWWE. In heat-shocked ice cream, ice recrystallization rates were significantly reduced 40 and 46% with the addition of 0.0025 and 0.0037% total protein from AWWE. The ISP activity in ice cream was not hindered by its inclusion in mix prior to pasteurization. A synergistic effect between ISP and stabilizer was observed, as ISP activity was reduced in the absence of stabilizer in ice cream formulations. A remarkably smoother texture for ice creams containing ISP after heat-shock storage was evident by sensory evaluation. The efficiency of ISP from AWWE in controlling ice crystal growth in ice cream has been demonstrated.

  5. 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.

  6. Uncertainty in Ice Crystal Orientation Distributions in Ice Sheets

    NASA Astrophysics Data System (ADS)

    Hay, Michael; Waddington, Edwin

    2016-04-01

    Crystal-orientation fabrics in polar ice sheets have a strong influence on ice flow due to the plastic anisotropy of ice. Crystal orientations evolve primarily in response to applied strain, but are also affected by temperature, impurities, interactions with neighbors, and other factors. While the evolution of each ice crystal is physically deterministic, in limited samples, such as those from ice-core thin sections, measured samples are stochastic due to sampling error. Even in continuum representations from models, crystal orientation distribution functions (ODFs) can be treated as stochastic due to uncertainties in how they developed. Here, we present results on the statistics of crystal orientation fabrics. We show a first-order estimate of the sampling distribution of fabric eigenvalues and fabric eigenvectors from ice-core thin sections. We also analyze uncertainty in electron backscatter diffraction measurements. In addition to sampling error, the strain histories of fabrics are generally poorly constrained, and may have varied in unknown ways through time. Nearby layers in ice sheets can also experience different strain histories due to inherent variabilities such as transient flow, or differences in impurities. This means that the continuum ODF itself can be treated as stochastic, because it depends on an effectively-stochastic unknown strain-history. To explore this, we analyze the effects of strain and vorticity variability on the evolution of the continuum ice-crystal ODF. We recast Jeffery's equation for the evolution of the ODF as a stochastic differential equation, with vorticity and strain perturbed by Gaussian processes. From this, we run a Monte-Carlo ensemble to determine likely bounds of true continuum ODF variability in response to random perturbations of strain and vorticity.

  7. 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.

  8. Artic ice and drilling structures

    SciTech Connect

    Sodhl, D.S.

    1985-04-01

    The sea ice in the southern Beaufort Sea is examined and subdivided into three zones: the fast ice zone, the seasonal pack-ice zone, an the polar pack ice zone. Each zone requires its own type of system. Existing floating drilling systems include ice-strengthened drill ships, conical drilling systems, and floating ice platforms in deep-water land-fast ice. The development of hydrocarbon resources in the Arctic presents great challenges to engineers, since the structures are required to operate safely under various conditions. Significant progress has yet to be made in understanding the behavior of ice.

  9. Evolution of crystal fabric: Ice-Age ice versus Holocene ice

    NASA Astrophysics Data System (ADS)

    Kennedy, J. H.; Pettit, E. C.

    2009-12-01

    Ice-Age ice has smaller crystals and higher concentrations of impurities than Holocene ice; these properties cause it to develop a more strongly-aligned crystal-orientation fabric. In many regions of the Antarctic and Greenland ice sheets, the Ice-Age ice is now at depth and its flow properties may dominate the ice flow patterns, particularly where sliding is minimal. We use a fabric evolution model, based on that developed by Thorsteinsson (2002), to explore the evolution of Ice-Age ice fabric along particle paths for ice within Taylor Glacier, a cold-based outlet glacier of the East Antarctic Ice Sheet. The bulk of the ice within Taylor Glacier consists of Ice-Age and older ice because the Holocene ice has ablated away (there is no Holocene ice remaining within 25km of the terminus, Aciego, 2007). We initialize the evolving fabric based on fabric measurements from Taylor Dome where available (DiPrinzio, 2003) and other ice core records. We compare model results with thin-section data from shallow cores taken near the terminus. As expected, crystal alignment strengthens along the ice particle path. Due to lateral shearing along valley walls and the ice cliffs (terminal ice cliffs are cold in winter and present a resistance to flow), a tilted single maximum is common near the terminus. The highly-aligned fabric of Ice-Age ice is significantly softer than Holocene ice in simple shear parallel to the bed, this softness not only results in faster flow rates for glaciers and ice sheets such as Taylor, but creates a climate-flow-fabric feedback loop through concentrating ice-sheet flow within the Ice-Age ice. Thorsteinsson, T. (2002), Fabric development with nearest-neighbor interaction and dynamic recrystallization, J. Geophys. Res., 107(B1), 2014, doi:10.1029/2001JB000244. S.M. Aciego, K.M. Cuffey, J.L. Kavanaugh, D.L. Morse, J.P. Severinghaus, Pleistocene ice and paleo-strain rates at Taylor Glacier, Antarctica, Quaternary Research, Volume 68, Issue 3, November 2007

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

  17. Atomically resolved images of I(h) ice single crystals in the solid phase.

    PubMed

    Kobayashi, Keita; Koshino, Masanori; Suenaga, Kazu

    2011-05-20

    The morphology and crystal structure of nanoparticles of ice were examined by high-resolution transmission electron microscopy. Two different crystal structures were found and unambiguously assigned to hexagonal (I(h)) and cubic (I(c)) ice crystals. Direct observation of oxygen columns clearly revealed the hexagonal packing of water molecules. Electron energy-loss spectroscopy was used to monitor the electronic excitation in ice, suggesting possible dissociation of water molecules. Dynamic process of phase transition between I(h) and I(c) phases of individual ice nanoparticles under electron beam irradiation was also monitored by in situ transmission electron diffractometry.

  18. 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.

  19. 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 -30°C on the cold stage of microscope. Subsequently, it was heated to -5°C or -10°C 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.

  20. 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.

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

    PubMed

    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.

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

    PubMed

    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. PMID:24836734

  3. Interaction of Tenebrio Molitor Antifreeze Protein with Ice Crystal: Insights from Molecular Dynamics Simulations.

    PubMed

    Ramya, L; Ramakrishnan, Vigneshwar

    2016-07-01

    Antifreeze proteins (AFP) observed in cold-adapting organisms bind to ice crystals and prevent further ice growth. However, the molecular mechanism of AFP-ice binding and AFP-inhibited ice growth remains unclear. Here we report the interaction of the insect antifreeze protein (Tenebrio molitor, TmAFP) with ice crystal by molecular dynamics simulation studies. Two sets of simulations were carried out at 263 K by placing the protein near the primary prism plane (PP) and basal plane (BL) of the ice crystal. To delineate the effect of temperatures, both the PP and BL simulations were carried out at 253 K as well. The analyses revealed that the protein interacts strongly with the ice crystal in BL simulation than in PP simulation both at 263 K and 253 K. Further, it was observed that the interactions are primarily mediated through the interface waters. We also observed that as the temperature decreases, the interaction between the protein and the ice increases which can be attributed to the decreased flexibility and the increased structuring of the protein at low temperature. In essence, our study has shed light on the interaction mechanism between the TmAFP antifreeze protein and the ice crystal. PMID:27492241

  4. 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

  5. Structural Characterization of Crystalline Ice Nanoclusters

    NASA Technical Reports Server (NTRS)

    Blake, David

    2000-01-01

    Water ice nanoclusters are useful analogs for studying a variety of processes that occur within icy grains in the extraterrestrial environment. The surface of ice nanoclusters prepared in the laboratory is similar to the surface of interstellar ice grains. In cold molecular clouds, the silicate cores of interstellar grains are typically approx. 100 nm in diameter and have a coating of impure amorphous water ice. Depositional, thermal and radiolytic processes leave the surface and subsurface molecules in a disordered state. In this state, structural defects become mobile and reactions of trapped gases and small molecules can occur. The large surface area of nanocluster deposits relative to their bulk allows for routine observation of such surface-mediated processes. Furthermore, the disordered surface and subsurface layers in nanocluster deposits mimic the structure of amorphous ice rinds found on interstellar dust grains. Transmission Electron Microscopy (TEM has been used tn characterize the crystallinity, growth mechanism, and size distribution of nanoclusters formed from a mixture of water vapor with an inert carrier gas that has been rapidly cooled to 77K. E M imaging reveals a Gaussian size distribution around a modal diameter that increases from approx. 15 to 30 nm as the percentage of water vapor within the mixture increases from 0.5 to 2.007, respectively . TEM bright and dark field imaging also reveals the crystalline nature of the clusters. h4any of the clusters show a mosaic structure in which crystalline domains originate at the center Other images show mirror planes that are separated by approx. 10 nm. Electron diffraction patterns of these clusters show that the clusters are composed of cubic ice with only a small hexagonal component. Further, the crystalline domain size is approximately the same as the modal diameter suggesting that the clusters are single crystals.

  6. Soot Aerosol Particles as Cloud Condensation Nuclei: from Ice Nucleation Activity to Ice Crystal Morphology

    NASA Astrophysics Data System (ADS)

    Pirim, Claire; Ikhenazene, Raouf; Ortega, Isamel Kenneth; Carpentier, Yvain; Focsa, Cristian; Chazallon, Bertrand; Ouf, François-Xavier

    2016-04-01

    Emissions of solid-state particles (soot) from engine exhausts due to incomplete fuel combustion is considered to influence ice and liquid water cloud droplet activation [1]. The activity of these aerosols would originate from their ability to be important centers of ice-particle nucleation, as they would promote ice formation above water homogeneous freezing point. Soot particles are reported to be generally worse ice nuclei than mineral dust because they activate nucleation at higher ice-supersaturations for deposition nucleation and at lower temperatures for immersion freezing than ratios usually expected for homogeneous nucleation [2]. In fact, there are still numerous opened questions as to whether and how soot's physico-chemical properties (structure, morphology and chemical composition) can influence their nucleation ability. Therefore, systematic investigations of soot aerosol nucleation activity via one specific nucleation mode, here deposition nucleation, combined with thorough structural and compositional analyzes are needed in order to establish any association between the particles' activity and their physico-chemical properties. In addition, since the morphology of the ice crystals can influence their radiative properties [3], we investigated their morphology as they grow over both soot and pristine substrates at different temperatures and humidity ratios. In the present work, Combustion Aerosol STandart soot samples were produced from propane using various experimental conditions. Their nucleation activity was studied in deposition mode (from water vapor), and monitored using a temperature-controlled reactor in which the sample's relative humidity is precisely measured with a cryo-hygrometer. Formation of water/ice onto the particles is followed both optically and spectroscopically, using a microscope coupled to a Raman spectrometer. Vibrational signatures of hydroxyls (O-H) emerge when the particle becomes hydrated and are used to characterize ice

  7. 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.

  8. A test of cirrus ice crystal scattering phase functions

    NASA Astrophysics Data System (ADS)

    Field, P. R.; Baran, A. J.; Kaye, P. H.; Hirst, E.; Greenaway, R.

    2003-07-01

    In-situ ice crystal scattering has been measured in cirrus cloud with the Small Ice Detector laser scattering probe. Using light scattered from single particles (maximum dimension ~<100 μm) at 4-10° and 20-40° we have tested ice crystal scattering phase functions for spheres, hexagonal columns, hexagonal plates, polycrystals an aggregate of columns and an analytic function. We find that phase functions that lack a pronounced 22° halo are the best representatives for the example data presented here. Spherical ice particle phase functions do not satisfy the measurements.

  9. 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.

  10. 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

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. Acoustic detection of ice crystals in Antarctic waters

    NASA Astrophysics Data System (ADS)

    Penrose, John D.; Conde, M.; Pauly, T. J.

    1994-06-01

    During the voyage of the RSV Aurora Australis to the region of Prydz Bay, Antarctica in January-March 1991, ice crystals were encountered at depths from the surface to 125-m in the western area of the bay. On two occasions, crystals were retrieved by netting, and echo sounder records have been used to infer additional regions of occurrence. Acoustic target strength estimates made on the ice crystal assemblies encountered show significant spatial variation, which may relate to crystal size and/or aggregation. Data from a suite of conductivity-temperature-depth casts have been used to map regions of the study area where in situ water temperatures fell below the computed freezing point. Such regions correlate well with those selected on the basis of echogram type and imply that ice crystals occurred at depth over large areas of the bay during the cruise period. The ice crystal distribution described is consistent with that expected from a plume of supercooled water emerging from under the Amery Ice Shelf and forming part of the general circulation of the bay. The magnitude of the supercooled water plume is greater than those reported previously in the Prydz Bay region. If misinterpreted as biota on echo sounder records, ice crystals could significantly bias biomass estimates based on echo integration in this and potentially other areas.

  16. Effect of biopolymers on structure and ice recrystallization in dynamically frozen ice cream model systems.

    PubMed

    Regand, A; Goff, H D

    2002-11-01

    Ice crystal growth and microstructure of sugarsolutions prepared with stabilizers (carboxymethyl cellulose [CMC], xanthan gum, locust bean gum [LBG], and gelatin) with or without milk solids-nonfat (MSNF) after freezing in a scraped surface heat exchanger and temperature cycling (5 cycles from -6 degrees C to -20 degrees C) were studied. Ice crystal growth was calculated from brightfield microscopic images acquired from samples before and after cycling. Freeze-substitution and low-temperature embedding (LR-Gold resin) were sample preparation techniques utilized for structure analyses by light microscopy and transmission electron microscopy. Differential staining for carbohydrates and proteins allowed the identification of stabilizer gel-like structures in LBG, gelatin, and gelatin/MSNF solutions. In the absence of milk proteins, xanthan and LBG were the most effective at retarding recrystallization, while in their presence, only xanthan had an effect. Cryo-gelation of the LBG was observed but is not the only mechanism of stabilizer action. Thermodynamic incompatibility between biopolymers was observed to promote localized high concentrations of milk proteins located at the ice crystal interface, probably exerting a water-holding action that significantly enhanced the stabilizer effect. Qualitatively, solution heterogeneity (phase separation) was directly proportional to ice crystal growth inhibition. It is suggested that water-holding by stabilizer and proteins, and in some cases steric hindrance induced by a stabilizer gel-like network, caused a reduction in the kinetics of the ice recrystallization phenomena and promoted mechanisms of melt-regrow instead of melt-diffuse-grow recrystallization, thus resulting in the preservation of the ice crystal size and in a small span of the ice crystal size distribution.

  17. How big should hexagonal ice crystals be to produce halos?

    PubMed

    Mishchenko, M I; Macke, A

    1999-03-20

    It has been hypothesized that the frequent lack of halos in observations of cirrus and contrails and laboratory measurements is caused by small ice crystal sizes that put the particles outside the geometrical optics domain of size parameters. We test this hypothesis by exploiting a strong similarity of ray tracing phase functions for finite hexagonal and circular ice cylinders and using T-matrix computations of electromagnetic scattering by circular cylinders with size parameters up to 180 in the visible. We conclude that well-defined halos should be observable for ice crystal size parameters of the order of 100 and larger and discuss remote-sensing implications of this result. PMID:18305781

  18. Melting the ice: on the relation between melting temperature and size for nanoscale ice crystals.

    PubMed

    Pan, Ding; Liu, Li-Min; Slater, Ben; Michaelides, Angelos; Wang, Enge

    2011-06-28

    Although the melting of ice is an everyday process, important issues remain unclear particularly on the nanoscale. Indeed despite extensive studies into ice melting and premelting, little is known about the relationship between (pre)melting and crystal size and morphology, with, for example, the melting temperature of ice nanocrystals being unclear. Here we report extensive long-time force-field-based molecular dynamics studies of the melting of hexagonal ice nanocrystals in the ca. 2 to 8 nm size range. We show that premelting is initiated at the corners of the crystals, then the edges between facets, and then the flat surfaces; that is, the melting temperature is related to the degree of coordination. A strong size dependence of the melting temperature is observed, with the combination of small particle size and premelting leading nanosized ice crystals to have liquid-like surfaces as low as about 130 K below the bulk ice melting temperature. These results will be of relevance in understanding the size dependence of ice crystal morphology and the surface reactivity of ice particles under atmospheric conditions.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. Anomalous growth of single ice crystals in solution

    NASA Technical Reports Server (NTRS)

    Gill, W. N.

    1979-01-01

    It is shown that major discrepancies exist between experiments and theory for ice crystal growth from solution. Accurate data, taken in a microgravity environment, approximate analytical models, and exact (probably numerical) models all are needed to advance our understanding of ice crystal growth phenomena. A new approximate semi-empirical theory is presented which predicts that a relatively sharp transition from natural convection control to diffusion control for ice growth in pure water occurs at a subcooling of about 10 C (a reduced temperature difference of about 0.125). No reliable data exist to test this prediction. The theory also predicts qualitatively the growth of ice in NaCl solution in which maxima in the growth rates are observed at various levels of subcooling.

  5. 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

  6. Population structure of ice-breeding seals.

    PubMed

    Davis, Corey S; Stirling, Ian; Strobeck, Curtis; Coltman, David W

    2008-07-01

    The development of population genetic structure in ice-breeding seal species is likely to be shaped by a combination of breeding habitat and life-history characteristics. Species that return to breed on predictable fast-ice locations are more likely to exhibit natal fidelity than pack-ice-breeding species, which in turn facilitates the development of genetic differentiation between subpopulations. Other aspects of life history such as geographically distinct vocalizations, female gregariousness, and the potential for polygynous breeding may also facilitate population structure. Based on these factors, we predicted that fast-ice-breeding seal species (the Weddell and ringed seal) would show elevated genetic differentiation compared to pack-ice-breeding species (the leopard, Ross, crabeater and bearded seals). We tested this prediction using microsatellite analysis to examine population structure of these six ice-breeding species. Our results did not support this prediction. While none of the Antarctic pack-ice species showed statistically significant population structure, the bearded seal of the Arctic pack ice showed strong differentiation between subpopulations. Again in contrast, the fast-ice-breeding Weddell seal of the Antarctic showed clear evidence for genetic differentiation while the ringed seal, breeding in similar habitat in the Arctic, did not. These results suggest that the development of population structure in ice-breeding phocid seals is a more complex outcome of the interplay of phylogenetic and ecological factors than can be predicted on the basis of breeding substrate and life-history characteristics.

  7. 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.

  8. Effect of Antifreeze Peptide Pretreatment on Ice Crystal Size, Drip Loss, Texture, and Volatile Compounds of Frozen Carrots.

    PubMed

    Kong, Charles H Z; Hamid, Nazimah; Liu, Tingting; Sarojini, Vijayalekshmi

    2016-06-01

    Ice crystal formation is of primary concern to the frozen food industry. In this study, the effects of antifreeze peptides (AFPs) on ice crystal formation were assessed in carrot during freezing and thawing. Three synthetic analogues based on naturally occurring antifreeze peptides were used in this study. The AFPs exhibited modification of ice crystal morphology, confirming their antifreeze activity in vitro. The ability of the synthetic AFPs to minimize drip loss and preserve color, structure, texture, and volatiles of frozen carrot was evaluated using the techniques of SEM, GC-MS, and texture analysis. The results prove the potential of these AFPs to preserve the above characteristics in frozen carrot samples. PMID:27138051

  9. Effect of Antifreeze Peptide Pretreatment on Ice Crystal Size, Drip Loss, Texture, and Volatile Compounds of Frozen Carrots.

    PubMed

    Kong, Charles H Z; Hamid, Nazimah; Liu, Tingting; Sarojini, Vijayalekshmi

    2016-06-01

    Ice crystal formation is of primary concern to the frozen food industry. In this study, the effects of antifreeze peptides (AFPs) on ice crystal formation were assessed in carrot during freezing and thawing. Three synthetic analogues based on naturally occurring antifreeze peptides were used in this study. The AFPs exhibited modification of ice crystal morphology, confirming their antifreeze activity in vitro. The ability of the synthetic AFPs to minimize drip loss and preserve color, structure, texture, and volatiles of frozen carrot was evaluated using the techniques of SEM, GC-MS, and texture analysis. The results prove the potential of these AFPs to preserve the above characteristics in frozen carrot samples.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. Investigating the Relative Contributions of Secondary Ice Formation Processes to Ice Crystal Number Concentrations Within Mixed-Phase Clouds

    NASA Astrophysics Data System (ADS)

    Sullivan, S.; Nenes, A.

    2015-12-01

    Measurements of the in-cloud ice nuclei concentration can be three or four orders of magnitude less than those of the in-cloud ice crystal number concentration. Different secondary formation processes, active after initial ice nucleation, have been proposed to explain this discrepancy, but their relative importance, and even the exact physics of each mechanism, are still unclear. We construct a simple bin microphysics model (2IM) including depositional growth, the Hallett-Mossop process, ice-ice collisions, and ice-ice aggregation, with temperature- and supersaturation-dependent efficiencies for each process. 2IM extends the time-lag collision model of Yano and Phillips to additional bins and incorporates the aspect ratio evolution of Jensen and Harrington. Model output and measured ice crystal size distributions are compared to answer three questions: (1) how important is ice-ice aggregation relative to ice-ice collision around -15°C, where the Hallett-Mossop process is no longer active; (2) what process efficiencies lead to the best reproduction of observed ice crystal size distributions; and (3) does ice crystal aspect ratio affect the dominant secondary formation process. The resulting parameterization is intended for eventual use in larger-scale mixed-phase cloud schemes.

  15. 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.

  16. 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.

  17. 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.

  18. Carbon Dioxide Ice Structure and Density in the Martian Mesosphere

    NASA Astrophysics Data System (ADS)

    Mangan, Thomas; Murray, Benjamin

    2016-04-01

    CO2 ice has been grown experimentally via deposition in order to mimic ice formation in Martian mesospheric CO2 clouds. This is achieved through the use of a low temperature and low pressure controlled stage mounted within an X-ray diffractomer (XRD). XRD patterns of CO2 deposited at temperatures of 80 - 130 K and pressures below 1 mbar were analysed using a Rietveld refinement method and fitted to a crystalline cubic structure (space group Pa3). This crystal structure is consistent with XRD patterns also taken of dry ice. CO2 ice densities were then determined from the refined lattice parameters across the 80 - 130 K range and extrapolated using literature values resulting in a temperature dependent density parameter valid over 80 - 195 K. This temperature dependent parameter for CO2 ice density was applied to nucleation, sedimentation and growth rates of CO2 ice particles under conditions relevant to the Martian mesosphere. The results were then compared to commonly used literature values, illustrating the need for the use of temperature dependent CO2 ice densities.

  19. 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

  20. Apparatus for single ice crystal growth from the melt.

    PubMed

    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 0.8 ml cylindrical volume. A triple window arrangement was used to minimize temperature gradients and allow for up to 10 mm working distance objective lens. Temperature could be established to within +/-10 mK in as little as 3.5 min and controlled to within +/-2 mK after 15 min for at least 10 h. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  5. 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.

    2014-12-01

    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 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 further 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

  6. 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

  7. 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.

  8. 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.

  9. Structure and dynamics of amorphous water ice.

    PubMed

    Laufer, D; Kochavi, E; Bar-Nun, A

    1987-12-15

    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. 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.

  11. Non-equilibrium dynamics and structure of interfacial ice

    NASA Astrophysics Data System (ADS)

    Andreussi, Oliviero; Donadio, Davide; Parrinello, Michele; Zewail, Ahmed H.

    2006-07-01

    Stimulated by recent experiments [C.-Y. Ruan et al. Science 304, (2004) 81], we have performed molecular dynamics and ab initio structural studies of the laser-induced heating and restructuring processes of nanometer-scale ice on a substrate of chlorine terminated Si(1 1 1). Starting from proton disordered cubic ice configurations the thin film behavior has been characterized at several temperatures up to the melting point. The surface induces order with crystallization in the Ic lattice, but with void amorphous regions. The structure changes on the ultrashort time scale and restructures by heat dissipation depending on the relaxation time and final temperature. Our results show the general behavior observed experimentally, thus providing the nature of forces in the atomic-scale description of interfacial ice.

  12. Relative Dispersion of Ice Crystals in Seeded Cumuli.

    NASA Astrophysics Data System (ADS)

    Weil, Jeffrey C.; Lawson, R. Paul; Rodi, Alfred R.

    1993-06-01

    Relative dispersion of ice crystals was measured in 30 seeded cumulus clouds. A quasi-instantaneous, vertical area source of ice was generated by releasing dry-ice pellets from an airplane. The ice concentration distribution and relative dispersion were measured normal to the source and were complemented by cloud turbulence measurements, namely, velocity variances and the energy dissipation rate . The clouds were selected based on an objective set of criteria and were treated as members of the same ensemble.The observed mean relative dispersion rx agreed well with predictions from a Lagrangian stochastic two-particle model, which reproduces Batchelor's theoretical results for rx. For short times t after the seeding time ts, the predictions and observations suggested a growth like rx t ts rather than Batchelor's `intermediate' time prediction, rx 1/2 (t ts)3/2. This difference was attributed to the rather large initial dispersion 0 of ice crystals, 27 53 m, inferred from the measurements; Batchelor's result is only valid for 0 va3/, where va2 is the average velocity variance. At long times, the predictions and observations approached the same asymptotic limit, rx (t ts)1/2.In addition to the mean dispersion, probability density functions (pdfs) of the individual dispersion observations were constructed and showed an evolution from a highly skewed pdf at small times to a more symmetrical one at large times. This is one of the first reports of the rx pdf, which is important for determining the variance and pdf of the randomly varying concentration in a small ice cloud or plume of material.

  13. Vaterite Crystals Contain Two Interspersed Crystal Structures

    NASA Astrophysics Data System (ADS)

    Kabalah-Amitai, Lee; Mayzel, Boaz; Kauffmann, Yaron; Fitch, Andrew N.; Bloch, Leonid; Gilbert, Pupa U. P. A.; Pokroy, Boaz

    2013-04-01

    Calcite, aragonite, and vaterite are the three anhydrous polymorphs of calcium carbonate, in order of decreasing thermodynamic stability. Although vaterite is not commonly found in geological settings, it is an important precursor in several carbonate-forming systems and can be found in biological settings. Because of difficulties in obtaining large, pure, single crystals, the crystal structure of vaterite has been elusive for almost a century. Using aberration-corrected high-resolution transmission electron microscopy, we found that vaterite is actually composed of at least two different crystallographic structures that coexist within a pseudo-single crystal. The major structure exhibits hexagonal symmetry; the minor structure, existing as nanodomains within the major matrix, is still unknown.

  14. Backscatter by azimuthally oriented ice crystals of cirrus clouds.

    PubMed

    Konoshonkin, Alexander; Wang, Zhenzhu; Borovoi, Anatoli; Kustova, Natalia; Liu, Dong; Xie, Chenbo

    2016-09-01

    The backscattering Mueller matrix has been calculated for the first time for the hexagonal ice columns and plates with both zenith and azimuth preferential orientations. The possibility of a vertically pointing polarization lidar measuring the full Mueller matrix for retrieving the orientation distributions of the crystals is considered. It is shown that the element m44 or, equivalently, the circular depolarization ratio distinguishes between the low and high zenith tilts of the crystals. Then, at their low or high zenith tilts, either the element m22 or m34, respectively, should be measured to retrieve the azimuth tilts.

  15. Backscatter by azimuthally oriented ice crystals of cirrus clouds.

    PubMed

    Konoshonkin, Alexander; Wang, Zhenzhu; Borovoi, Anatoli; Kustova, Natalia; Liu, Dong; Xie, Chenbo

    2016-09-01

    The backscattering Mueller matrix has been calculated for the first time for the hexagonal ice columns and plates with both zenith and azimuth preferential orientations. The possibility of a vertically pointing polarization lidar measuring the full Mueller matrix for retrieving the orientation distributions of the crystals is considered. It is shown that the element m44 or, equivalently, the circular depolarization ratio distinguishes between the low and high zenith tilts of the crystals. Then, at their low or high zenith tilts, either the element m22 or m34, respectively, should be measured to retrieve the azimuth tilts. PMID:27607728

  16. Adsorption of alpha-helical antifreeze peptides on specific ice crystal surface planes.

    PubMed Central

    Knight, C A; Cheng, C C; DeVries, A L

    1991-01-01

    The noncolligative peptide and glycopeptide antifreezes found in some cold-water fish act by binding to the ice surface and preventing crystal growth, not by altering the equilibrium freezing point of the water. A simple crystal growth and etching technique allows determination of the crystallographic planes where the binding occurs. In the case of elongated molecules, such as the alpha-helical peptides in this report, it also allows a deduction of the molecular alignment on the ice surface. The structurally similar antifreeze peptides from winter flounder (Pseudopleuronectes americanus) and Alaskan plaice (Pleuronectes quadritaberulatus) adsorb onto the (2021) pyramidal planes of ice, whereas the sculpin (Myoxocephalus scorpius) peptide adsorbs on (2110), the secondary prism planes. All three are probably aligned along (0112). These antifreeze peptides have 11-amino acid sequence repeats ending with a polar residue, and each repeat constitutes a distance of 16.5 A along the helix, which nearly matches the 16.7 A repeat spacing along (0112) in ice. This structural match is undoubtedly important, but the mechanism of binding is not yet clear. The suggested mechanism of growth inhibition operates through the influence of local surface curvature upon melting point and results in complete inhibition of the crystal growth even though individual antifreeze molecules bind at only one interface orientation. Images FIGURE 2 PMID:2009357

  17. 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.

  18. 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

  19. Crystal structure of propaquizafop

    PubMed Central

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

    2014-01-01

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

  20. 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.

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

    NASA Astrophysics Data System (ADS)

    Dursch, Thomas James, Jr.

    Proton-exchange-membrane fuel cells (PEMFCs) show promise in automotive applications because of their high efficiency, high power density, and potentially low emissions. To be successful in automobiles, PEMFCs must permit rapid startup with minimal energy from subfreezing temperatures, known as cold-start. In a PEMFC, reduction of oxygen to water occurs in the cathode catalyst layer (CL). Under subfreezing conditions, water generated during startup solidifies and hinders access of gaseous oxygen to the catalytic sites in the cathode CL, severely inhibiting cell performance and potentially causing cell failure. Achieving cold-start is difficult in practice, due to potential flooding, sluggish reaction kinetics, durability loss, and rapid ice crystallization. Currently, however, few studies focus on the fundamentals of ice crystallization during cold-start. Elucidation of the mechanisms and kinetics of ice formation within PEMFC porous media is, therefore, critical to successful cell startup and high performance at low temperatures. First, an experimental method is presented for obtaining isothermal ice-crystallization kinetics in water-saturated gas-diffusion layers (GDLs). Ice formation is initially studied in the GDL because this layer retains a significant amount of product water during cold-start. Isothermal ice-crystallization and ice-nucleation rates are obtained in commercial Toray GDLs as functions of subcooling using differential scanning calorimetry (DSC). A nonlinear ice-crystallization rate expression is developed using Johnson-Mehl-Avrami-Kolmogorov (JMAK) theory, in which the heat-transfer-limited growth rate is determined from the moving-boundary Stefan problem. Predicted ice-crystallization rates are in excellent agreement with experiment. A validated rate expression is thus available for predicting ice-crystallization kinetics in GDLs. Ice-crystallization kinetics is also considered under experimental settings similar to real PEMFC operating

  2. 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.

  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. Light scattering by hexagonal ice crystals with distributed inclusions

    NASA Astrophysics Data System (ADS)

    Panetta, R. Lee; Zhang, Jia-Ning; Bi, Lei; Yang, Ping; Tang, Guanlin

    2016-07-01

    Inclusions of air bubbles or soot particles have significant effects on the single-scattering properties of ice crystals, effects that in turn have significant impacts on the radiation budget of an atmosphere containing the crystals. This study investigates some of the single-scattering effects in the case of hexagonal ice crystals, including effects on the backscattering depolarization ratio, a quantity of practical importance in the interpretation of lidar observations. One distinguishing feature of the study is an investigation of scattering properties at a visible wavelength for a crystal with size parameter (x) above 100, a size regime where one expects some agreement between exact methods and geometrical optics methods. This expectation is generally borne out in a test comparison of how the sensitivity of scattering properties to the distribution of a given volume fraction of included air is represented using (i) an approximate Monte Carlo Ray Tracing (MCRT) method and (ii) a numerically exact pseudo-spectral time-domain (PSTD) method. Another distinguishing feature of the study is a close examination, using the numerically exact Invariant-Imbedding T-Matrix (II-TM) method, of how some optical properties of importance to satellite remote sensing vary as the volume fraction of inclusions and size of crystal are varied. Although such an investigation of properties in the x>100 regime faces serious computational burdens that force a large number of idealizations and simplifications in the study, the results nevertheless provide an intriguing glimpse of what is evidently a quite complex sensitivity of optical scattering properties to inclusions of air or soot as volume fraction and size parameter are varied.

  5. 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

  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. 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.

  8. Small, highly reflective ice crystals in low-latitude cirrus

    NASA Astrophysics Data System (ADS)

    Garrett, T. J.; Gerber, H.; Baumgardner, D. G.; Twohy, C. H.; Weinstock, E. M.

    2003-11-01

    At low latitudes, cirrus are ubiquitous and can be in excess of 100°C colder than the surface, limiting the amount of sunlight absorbed by the earth's atmosphere and surface, and reducing its loss of heat. Here we present aircraft measurements within cirrus over southern Florida indicating that ice crystals have smaller sizes and are more reflective than is assumed in most current climate models. If the measurements are generally representative of low-latitude cirrus, they point to a first-order correction to representations of how these clouds affect the earth's climate.

  9. Crystal Ice Formation of Solution and Its Removal Phenomena From Cooled Solid Surface

    NASA Astrophysics Data System (ADS)

    Hirata, Tetsuo; Ishikawa, Masaaki; Nagasaka, Kouji

    Experimental studies for freezing phenomena of ethylene glycol solution on cooled plate have been performed. A polyvinyl chloride as well as an acrylic resin plates are used for the cooled plates. It is found that the crystal ice formed at the cooled plate is removed from the plate due to buoyancy force acting the crystal ice. It means that ice formation on a cooled plate without deposit ice layer is possible by the present method. It is shown that the cooled plate surface is under cooled about 1.0~1.5 degree below the freezing temperature of the solution during the crystal ice formation and its removal phenomena. The degree of under cooled temperature is unaffected by the cooling temperature of the plate. For higher concentration of solution, it is found that the number of the removed crystal ice per unit time is increased and the volume of each removed ice is decreased.

  10. Demonstration of Crystal Structure.

    ERIC Educational Resources Information Center

    Neville, Joseph P.

    1985-01-01

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

  11. 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.

  12. Crystallization of CO2 ice at astronomical conditions

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    Carbon dioxide is, after water and comparable to carbon monoxide, one of the most abundant frozen molecular species observed in the lines of sight towards many astrophysical media. We present here an experimental and theoretical investigation on carbon dioxide ices, generated in the lab in a range of temperature, density, amorphicity, and growing conditions (1), and simulated via high level theoretical calculations. Amorphous CO2 ice was generated at CAB by deposition onto a CsI substrate at 8 K under ultrahigh vacuum conditions in the 10-11 mbar range. The pressure increase used for the deposition of CO2 was very low, 10-9 mbar, to enable the formation of highly amorphous CO2 ice, at very low deposition rate. The transmittance infrared spectra, collected at several stages of sample growth, from 20 to 360 monolayers, are shown in the Figure. In a different set of experiments performed at IEM, the morphology of the amorphous CO2 ice has been studied using reflexion-absorption infrared (RAIR) spectroscopy. Calculated spectra of amorphous CO2 ice are obtained using the SIESTA code (2). In a first step, crystalline structures are processed by molecular dynamics to generate amorphous samples, which are subsequently relaxed until an equilibrium configuration is reached. The vibrational spectra of the amorphous solids are then calculated. The spectra of amorphous ice can change significantly depending on the density of the sample. An IR band, red-shifted with respect to ν3, has been identified as a witness of pure and amorphous CO2 ice. It vanishes when the sample becomes crystalline, either by temperature increase or by accumulation of increasing number of layers. The absence of this band in the observed spectra of solid CO2 is an indication that there is no pure and amorphous CO2 ice in inter- and circumstellar mantles References 1. Escribano, R., Muñoz Caro, G., Cruz-Díaz, G.A. Rodríguez-Lazcano, Y. and Maté, B., PNAS, accepted for publication, July 2013.. 2

  13. Laboratory studies on the uptake of aromatic hydrocarbons by ice crystals during vapor depositional crystal growth

    NASA Astrophysics Data System (ADS)

    Fries, Elke; Starokozhev, Elena; Haunold, Werner; Jaeschke, Wolfgang; Mitra, Subir K.; Borrmann, Stephan; Schmidt, Martin U.

    Uptake of aromatic hydrocarbons (AH) by ice crystals during vapor deposit growth was investigated in a walk-in cold chamber at temperatures of 242, 251, and 260 K, respectively. Ice crystals were grown from ambient air in the presence of gaseous AH namely: benzene (C 6H 6), toluene (methylbenzene, C 7H 8), the C 8H 10 isomers ethylbenzene, o-, m-, p-xylene (dimethylbenzenes), the C 9H 12 isomers n-propylbenzene, 4-ethyltoluene, 1,3,5-trimethylbenzene (1,3,5-TMB), 1,2,4-trimethylbenzene (1,2,4-TMB), 1,2,3-trimethylbenzene (1,2,3-TMB), and the C 10H 14 compound tert.-butylbenzene. Gas-phase concentrations calculated at 295 K were 10.3-20.8 μg m -3. Uptake of AH was detected by analyzing vapor deposited ice with a very sensitive method composed of solid-phase micro-extraction (SPME), followed by gas chromatography/mass spectrometry (GC/MS). Ice crystal size was lower than 1 cm. At water vapor extents of 5.8, 6.0 and 8.1 g m -3, ice crystal shape changed with decreasing temperatures from a column at a temperature of 260 K, to a plate at 251 K, and to a dendrite at 242 K. Experimentally observed ice growth rates were between 3.3 and 13.3×10 -3 g s -1 m -2 and decreased at lower temperatures and lower value of water vapor concentration. Predicted growth rates were mostly slightly higher. Benzene, toluene, ethylbenzene, and xylenes (BTEX) were not detected in ice above their detection limits (DLs) of 25 pg g ice-1 (toluene, ethylbenzene, xylenes) and 125 pg g ice-1 (benzene) over the entire temperature range. Median concentrations of n-propylbenzene, 4-ethyltoluene, 1,3,5-TMB, tert.-butylbenzene, 1,2,4-TMB, and 1,2,3-TMB were between 4 and 176 pg g ice-1 at gas concentrations of 10.3-10.7 μg m -3 calculated at 295 K. Uptake coefficients ( K) defined as the product of concentration of AH in ice and density of ice related to the product of their concentration in the gas phase and ice mass varied between 0.40 and 10.23. K increased with decreasing temperatures. Values of

  14. 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

  15. 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.

  16. Low-density liquid water is the mother of ice: on the relation between mesostructure, thermodynamics and ice crystallization in solutions.

    PubMed

    Bullock, Griffin; Molinero, Valeria

    2013-01-01

    Predicting the temperature and extent of ice freezing in aqueous solutions is crucial for areas as diverse as cryobiology and materials design. It has long been recognized that the thermodynamics of liquid water controls the temperature and kinetics of ice crystallization. Parameterizations of the freezing temperatures in terms of the water activity of the solution have been successfully established, but the fundamental origin of the thermodynamic control of the non-equilibrium crystallization of ice has remained elusive. Here we use large-scale molecular simulations to elucidate the relationship between the structure, thermodynamics, and ice crystallization temperatures for solutions of mW water and a strongly hydrophilic solute that mimics LiCI ions. Fast cooling of solutions with up to 20 mol% ions results in the formation of nanosegregated glasses with domains of low-density amorphous ice and an ion-rich vitrified solution. Slow cooling of the mixtures results in nucleation and growth of ice within the domains of four-coordinated liquid water. The temperature of crystallization Tx coincides with the temperature of appearance of nanoscopic domains of four-coordinated liquid water in the mixture, T(L). We use the insight provided by the simulations to derive a thermodynamic expression for the crystallization temperature as a function of the water activity, T(X)(a(W)), analogous to the dependence of the melting temperature, T(m)(a(W)). The simple expression derived in this work provides a good account of the experimental freezing temperatures of water and the well-known steepest dependence of Tx on solute concentration compared to that of T(m).

  17. 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.

  18. 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.

  19. 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.

  20. Ice crystal concentration in cumulus clouds: influence of the drop spectrum.

    PubMed

    Mossop, S C; Hallett, J

    1974-11-15

    Secondary ice crystals are thrown off when supercooled cloud drops are captured and freeze on a moving target in a cloud at -5 degrees C. The rate of production of these ice crystals is proportional to the rate of accretion of drops of the diameter >/=24 micrometers.

  1. The chemical, physical and structural properties of estuarine ice in Great Bay, New Hampshire

    USGS Publications Warehouse

    Meese, D.A.; Gow, A.J.; Mayewski, P.A.; Ficklin, W.; Loder, T.C.

    1987-01-01

    The purpose of this study was to provide general information on the chemical, physical and structural properties of estuarine ice and show how it compares with sea ice found at higher latitudes in order to determine whether the ice in Great Bay can be used as an analog in the study of arctic sea ice. Ice cores and water samples were collected during the 1983-1984 winter season at Adams Point in Great Bay, New Hampshire. Concentrations of chloride, nitrogen (as nitrate and nitrite), bromide, phosphate, sulfate and silicate were determined for samples chosen on the basis of identifiable stratigraphic layers (i.e. bubble size and shape, sediment layers, etc.). Similarities between ice formation in Great Bay and those in the arctic regions include the nature of the freezing process and the ice types produced. In addition, the distribution and concentration of chemical constituents were found to be similar to those observed in arctic sea ice. Factors affecting the chemistry of the ice in Great Bay include rainfall during the freezing season, the presence of sediment layers in the ice cores, the nature of incorporation of brine into the crystal structure of the ice and the drainage of brine. ?? 1987.

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

    NASA Astrophysics Data System (ADS)

    Spichtinger, P.; Krämer, M.

    2013-10-01

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

  3. Generation of crystal structures using known crystal structures as analogues

    PubMed Central

    Cole, Jason C.; Groom, Colin R.; Read, Murray G.; Giangreco, Ilenia; McCabe, Patrick; Reilly, Anthony M.; Shields, Gregory P.

    2016-01-01

    This analysis attempts to answer the question of whether similar molecules crystallize in a similar manner. An analysis of structures in the Cambridge Structural Database shows that the answer is yes – sometimes they do, particularly for single-component structures. However, one does need to define what we mean by similar in both cases. Building on this observation we then demonstrate how this correlation between shape similarity and packing similarity can be used to generate potential lattices for molecules with no known crystal structure. Simple intermolecular interaction potentials can be used to minimize these potential lattices. Finally we discuss the many limitations of this approach. PMID:27484374

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

    PubMed Central

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

    2013-01-01

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

  5. The effects of small ice crystals on the infrared radiative properties of cirrus clouds

    NASA Technical Reports Server (NTRS)

    Takano, Y.; Liou, K. N.; Asano, S.; Heymsfield, A.; Minnis, P.

    1990-01-01

    The effects of nonspherical small ice crystals on the IR radiative properties of cirrus clouds are investigated utilizing light scattering properties of spheroidal particles. Employing the anomalous diffraction theory for spheres and results from the exact spheroid scattering program, efficient parameterization equations are developed for calculations of the absorption and scattering properties for small ice crystals. Parameterization formulas are developed for large ice crystals employing results computed from the geometric ray-tracing method and the Fraunhofer diffraction theory for hexagonal crystals and spheroids.

  6. Effects on skylight at South Pole Station, Antarctica, by ice crystal precipitation in the atmosphere

    NASA Technical Reports Server (NTRS)

    Fitch, B. W.; Coulson, K. L.

    1983-01-01

    Measurements of the radiance and polarization of the skylight at South Pole Station, Antarctica, were made for clear cloud-free skies and cloudless skies with ice crystal precipitation. The measurements were made at six narrowband wavelengths from 321 to 872 nm in the principal plane. The data show that scattering by ice crystals increases the radiance in the backscatter plane, decreases it in the solar plane, and shifts the radiance minimum to a point closer to the sun. The crystals decrease the maximum value of linear polarization and shift the position of the maximum away from the sun. The influence of ice crystal scattering is greatest at the longer wavelengths.

  7. 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

  8. 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

  9. The internal structure of the Brunt Ice Shelf, Antarctica from ice-penetrating radar

    NASA Astrophysics Data System (ADS)

    King, Edward; De Rydt, Jan; Gudmundsson, Hilmar

    2016-04-01

    The Brunt Ice Shelf is a small feature on the Coats Land Coast of the Weddell Sea, Antarctica. It is unusual among Antarctic ice shelves because the ice crossing the grounding line from the ice sheet retains no structural integrity, so the ice shelf comprises icebergs of continental ice cemented together by sea ice, with the whole blanketed by in-situ snowfall. The size and distribution of the icebergs is governed by the thickness profile along the grounding line. Where bedrock troughs discharge thick ice to the ice shelf, the icebergs are large and remain close together with little intervening sea ice. Where bedrock ridges mean the ice crossing the grounding line is thin, the icebergs are small and widely-scattered with large areas of sea ice between them. To better understand the internal structure of the Brunt Ice Shelf and how this might affect the flow dynamics we conducted ice-penetrating radar surveys during December 2015 and January 2016. Three different ground-based radar systems were used, operating at centre frequencies of 400, 50 and 10 MHz respectively. The 400 MHz system gave detailed firn structure and accumulation profiles as well as time-lapse profiles of the active propagation of a crevasse. The 50 MHz system provided intermediate-level detail of iceberg distribution and thickness as well as information on the degree of salt water infiltration into the accumulating snow pack. The 10 MHz system used a high-power transmitter in an attempt to measure ice thickness beneath salt-impregnated ice. In this poster we will present example data from each of the three radar systems which will demonstrate the variability of the internal structure of the ice shelf. We will also present preliminary correlations between the internal structure and the surface topography from satellite data.

  10. 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.

  11. Sea ice structure and biological activity in the Antarctic marginal ice zone

    NASA Astrophysics Data System (ADS)

    Clarke, D. B.; Ackley, S. F.

    1984-03-01

    Ice cores obtained during October-November 1981 from Weddell Sea pack ice were analyzed for physical, chemical, and biological parameters. Frazil ice, which is associated with dynamic, turbulent conditions in the water column, predominated (70%). Both floe thickness and salinity indicate ice which is less than 1 year old. Chemical analyses, particularly with regard to the nutrients, revealed a complex picture. Phosphate values are scattered relative to the dilution curve. Nitrate and silicate values are lower than expected from simple scaling with salinity and suggest diatom growth within the ice. Nitrite values are higher in the ice than in adjacent waters. Frazil ice formation which probably concentrates algal cells from the water column into ice floes results in higher initial chlorophyll a concentrations in the ice than in adjacent waters. This mechanical concentration is further enhanced by subsequent reproduction within the ice. Ice core chlorophyll ranged from 0.09 to 3.8 mg/m3, comparable to values previously reported for this area but significantly lower than values for Antarctic coastal fast ice. The dominance of frazil ice in the Weddell is one of the major differences between this area and others. Consequently, we believe that ice structural conditions significantly influence the biological communities in the ice.

  12. Preliminary Results From a Heavily Instrumented Engine Ice Crystal Icing Test in a Ground Based Altitude Test Facility

    NASA Technical Reports Server (NTRS)

    Flegel, Ashlie B.; Oliver, Michael J.

    2016-01-01

    Preliminary results from the heavily instrumented ALF502R-5 engine test conducted in the NASA Glenn Research Center Propulsion Systems Laboratory are discussed. The effects of ice crystal icing on a full scale engine is examined and documented. This same model engine, serial number LF01, was used during the inaugural icing test in the Propulsion Systems Laboratory facility. The uncommanded reduction of thrust (rollback) events experienced by this engine in flight were simulated in the facility. Limited instrumentation was used to detect icing on the LF01 engine. Metal temperatures on the exit guide vanes and outer shroud and the load measurement were the only indicators of ice formation. The current study features a similar engine, serial number LF11, which is instrumented to characterize the cloud entering the engine, detect/characterize ice accretion, and visualize the ice accretion in the region of interest. Data were acquired at key LF01 test points and additional points that explored: icing threshold regions, low altitude, high altitude, spinner heat effects, and the influence of varying the facility and engine parameters. For each condition of interest, data were obtained from some selected variations of ice particle median volumetric diameter, total water content, fan speed, and ambient temperature. For several cases the NASA in-house engine icing risk assessment code was used to find conditions that would lead to a rollback event. This study further helped NASA develop necessary icing diagnostic instrumentation, expand the capabilities of the Propulsion Systems Laboratory, and generate a dataset that will be used to develop and validate in-house icing prediction and risk mitigation computational tools. The ice accretion on the outer shroud region was acquired by internal video cameras. The heavily instrumented engine showed good repeatability of icing responses when compared to the key LF01 test points and during day-to-day operation. Other noticeable

  13. High-Pressure Geoscience Special Feature: Dynamic pressure-induced dendritic and shock crystal growth of ice VI

    NASA Astrophysics Data System (ADS)

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

    2007-05-01

    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.

  14. Light scattering by absorbing hexagonal ice crystals in cirrus clouds.

    PubMed

    Zhang, J; Xu, L

    1995-09-01

    An improved ray-optics theory for single scattering and polarization of hexagonal columns and plates randomly oriented in space has been developed by considering absorption and by using the Chebyshev solution for diffraction integrals. The vector-tracing method and statistics technique of random sampling are employed. The equivalent forms of Snell's law and Fresnel formulas for absorbing ice crystals are derived, and two equivalent optical constants, m' and m″, are obtained. Comparison is made of the computed results of our model and the Takano and Liou model for asymmetry factors, single-scattering albedos, and scattering phase matrix elements. Some characteristics of our model are discussed, and these analyses demonstrate that our ray-optics model is practical and much improved.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Modeling the relative contributions of secondary ice formation processes to ice crystal number concentrations within mixed-phase clouds

    NASA Astrophysics Data System (ADS)

    Sullivan, Sylvia; Hoose, Corinna; Nenes, Athanasios

    2016-04-01

    Measurements of in-cloud ice crystal number concentrations can be three or four orders of magnitude greater than the in-cloud ice nuclei number concentrations. This discrepancy can be explained by various secondary ice formation processes, which occur after initial ice nucleation, but the relative importance of these processes, and even the exact physics of each, is still unclear. A simple bin microphysics model (2IM) is constructed to investigate these knowledge gaps. 2IM extends the time-lag collision parameterization of Yano and Phillips, 2011 to include rime splintering, ice-ice aggregation, and droplet shattering and to incorporate the aspect ratio evolution as in Jensen and Harrington, 2015. The relative contribution of the secondary processes under various conditions are shown. In particular, temperature-dependent efficiencies are adjusted for ice-ice aggregation versus collision around -15°C, when rime splintering is no longer active, and the effect of aspect ratio on the process weighting is explored. The resulting simulations are intended to guide secondary ice formation parameterizations in larger-scale mixed-phase cloud schemes.

  1. 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.

  2. 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, C—H⋯O, O—H⋯N and C—H⋯Cl hydrogen bonds and weak C—H⋯π inter­actions [3.473 (2) Å] link adjacent mol­ecules, forming columns along the a axis. PMID:26870467

  3. Crystal structure of flumioxazin

    PubMed Central

    Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound {systematic name: 2-[7-fluoro-3,4-di­hydro-3-oxo-4-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetra­hydro-1H-iso­indole-1,3(2H)-dione}, C19H15FN2O4, is a dicarboximide herbicide. The dihedral angle between the male­imide and benzene ring planes is 66.13 (5)°. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds and weak C—H⋯π inter­actions [3.5601 (19) Å] link adjacent mol­ecules, forming two-dimensional networks extending parallel to the (110) plane. PMID:26594468

  4. 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.

  5. 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. 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

  6. 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.

  7. 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.

  8. 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

  9. Crystal structure determination of Efavirenz

    SciTech Connect

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

    2015-12-23

    Needle-shaped single crystals of the title compound, C{sub 14}H{sub 9}ClF{sub 3}NO{sub 2}, 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.

  10. Crystal structure refinement with SHELXL

    SciTech Connect

    Sheldrick, George M.

    2015-01-01

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

  11. A renewed argument for crystal size control of ice sheet strain rates

    NASA Astrophysics Data System (ADS)

    Cuffey, K. M.; Thorsteinsson, T.; Waddington, E. D.

    2000-12-01

    At present, it is generally believed that crystal size has no direct influence on strain rate in the ice sheets and that the fraction of strain rate enhancement there which is not ascribable to c axis fabric is due to impurity content. Here we challenge this view because it is not consistent with recent results from analyses of deformation at Meserve Glacier and instead ascribe residual enhancement in the ice sheets to variations in crystal size. We resurrect the idea that variations of crystal size can be an important part of the total shear enhancement in the ice sheets, though agree with Paterson that this effect is generally dominated by variations of crystal fabric. We propose that the enhanced shear strain rate of ice age ice in southern Greenland, as inferred from tilt of the Dye 3 borehole, can be explained as a result of combined fabric variations and crystal size variations, with these two ice properties accounting for roughly 70% and 30% of the average enhancement, respectively. Permitting a grain size dependence of ice viscosity also resolves the quandary concerning closure and tilt of the Agassiz Ice Cap borehole.

  12. Observing cirrus halos to constrain in-situ measurements of ice crystal size

    NASA Astrophysics Data System (ADS)

    Garrett, T. J.; Kimball, M. B.; Mace, G. G.; Baumgardner, D. G.

    2007-01-01

    In this study, characteristic optical sizes of ice crystals in synoptic cirrus are determined using airborne measurements of ice crystal size distributions, optical extinction and water content. The measurements are compared with coincident visual observations of ice cloud optical phenomena, in particular the 22° and 46° halos. In general, the scattering profiles derived from the in-situ cloud probe measurements are consistent with the observed halo characteristics. It is argued that this implies that the measured ice crystals were small, probably with characteristic optical radii between 10 and 20 μm. There is a current contention that in-situ measurements of high concentrations of small ice crystals reflect artifacts from the shattering of large ice crystals on instrument inlets. Significant shattering cannot be entirely excluded using this approximate technique, but it is not indicated. On the basis of the in-situ measurements, a parameterization is provided that relates the optical effective radius of ice crystals to the temperature in mid-latitude synoptic cirrus.

  13. Effect of annealing time of an ice crystal on the activity of type III antifreeze protein.

    PubMed

    Takamichi, Manabu; Nishimiya, Yoshiyuki; Miura, Ai; Tsuda, Sakae

    2007-12-01

    Antifreeze proteins (AFPs) possess a unique ability to bind to a seed ice crystal to inhibit its growth. The strength of this binding has been evaluated by thermal hysteresis (TH). In this study, we examined the dependence of TH on experimental parameters, including cooling rate, annealing time, annealing temperature and the size of the seed ice crystal for an isoform of type III AFP from notched-fin eelpout (nfeAFP8). TH of nfeAFP8 dramatically decreased when using a fast cooling rate (0.20 degrees C x min(-1)). It also decreased with increasing seed crystal size under a slow cooling rate (0.01 degrees C x min(-1)), but such dependence was not detected under the fast cooling rate. TH was enhanced 1.4- and 2.5-fold when ice crystals were annealed for 3 h at 0.05 and 0.25 degrees C below T(m), respectively. After annealing for 2 h at 0.25 degrees C below T(m), TH activity showed marked dependence on the size of ice crystals. These results suggest that annealing of an ice crystal for 2-3 h significantly increased the TH value of type III AFP. Based on a proposed adsorption-inhibition model, we assume that type III AFP undergoes additional ice binding to the convex ice front over a 2-3 h time scale, which results in the TH dependence on the annealing time.

  14. 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.

  15. 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.

  16. Ground Based Retrievals of Small Ice Crystals and Water Phase in Arctic Cirrus

    NASA Astrophysics Data System (ADS)

    Mishra, Subhashree; Mitchell, David L.; DeSlover, Daniel

    2009-03-01

    The microphysical properties of cirrus clouds are uncertain due to the problem of ice particles shattering at the probe inlet upon sampling. To facilitate better estimation of small ice crystal concentrations in cirrus clouds, a new ground-based remote sensing technique has been used in combination with in situ aircraft measurements. Data from the Mixed-Phase Arctic Cloud Experiment (M-PACE), conducted at the north slope of Alaska (winter 2004), have been used to test a new method for retrieving the liquid water path (LWP) and ice water path (IWP) in mixed phase clouds. The framework of the retrieval algorithm consists of the modified anomalous diffraction approximation or MADA (for mixed phase cloud optical properties), a radar reflectivity-ice microphysics relationship and a temperature-dependent ice particle size distribution (PSD) scheme. Cloud thermal emission measurements made by the ground-based Atmospheric Emitted Radiance Interferometer (AERI) yield information on the total water path (TWP) while reflectivity measurements from the Millimeter Cloud Radar (MMCR) are used to derive the IWP. The AERI is also used to indicate the concentration of small ice crystals (D<50 μm) relative to the larger ice particles. Combining this small crystal information with the PSD scheme describing the larger particle concentrations yields the retrieved PSD. Small ice crystals are evaluated using the absorption properties of photon tunneling or wave resonance while the liquid water fraction is evaluated using classical Beer's law absorption. While this is still a work in progress, the anticipated products from this AERI-radar retrieval scheme are the IWP, LWP, small-to-large ice crystal number concentration ratio and effective diameter for cirrus, as well as the ice particle number concentration for a given ice water content (IWC).

  17. 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.

  18. 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.

  19. Crystal chemistry and real structure of crystals

    NASA Astrophysics Data System (ADS)

    Bartl, H.; Bats, J. W.; Dyck, W.; Fuess, H.; Gregory, A.; Joswig, W.; Lottermoser, W.; Koerfer, M.; Mueller, R.; Schweiss, B. P.

    1984-03-01

    Elastic and inelastic scattering, X-ray diffraction and spectroscopy were combined to obtain a comprehensive picture of the properties of crystals. The electron density distribution allows one to verify the models of the theoretical chemistry. Systematic investigations of chemically similar anions (ClO3 and ClO4; S2O3, SO3 and SO4) show differences in bonding and reaction capability. The X-ray-neutron method applied to these anions shows maxima between 0.2 and 0.4 eXA to the power-3 in the bondings of the unbound electrons on S and D. For the SO3-group good agreement is found with theoretical calculations. The effect of the Mg (two times ionized) cation on the density is demonstrated on the water molecules of MgS2O3.6H2O and MgSO3.6H2O. Magnetic structure and magnetization density were investigated on CO3V2O8, Fe2SiO4 and Mn2SiO4 with polarized neutrons. The differences in magnetic moments of both cation states is also demonstrated for Fe2SiO4 with complementary Mossbauer measurements. Inelastic time of flight experiments allow predictions concerning the motion of the NH3-group in aniliniumbromide and of the water molecule in natural zeolites. The theoretical model to calculate the photon dispersion on CaSO4 shows good agreement with the measured dispersion curves.

  20. 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.

  1. Crystal Structure of Bi

    SciTech Connect

    Borg, Stefan; Svensson, Goeran

    2001-02-15

    The room temperature structures of the two-layer Aurivillius phases Bi{sub 2.5}Me{sub 0.5}Nb{sub 2}O{sub 9} (Me=Na, K) have been refined with the Rietveld method from powder neutron diffraction data ({lambda}=1.470 {angstrom}). They consist of (Bi{sub 2}O{sub 2}){sup 2+} layers interleaved with perovskite (Bi{sub 0.5}Me{sub 0.5}Nb{sub 2}O{sub 7}){sup 2-} (Me=Na, K) slabs. The structures were refined in the orthorhombic space group A2{sub 1}am, Z=4, and the unit cell parameters of the two oxides are a= 5.4937(3), b=5.4571(4), c=24.9169(14) {angstrom} and a=5.5005(8), b=5.4958(8), c=25.2524(16) {angstrom}, respectively. The orthorhombic distortion increases with decreasing Me+ cation size in the perovskite layer (Bi/Me){sup 2+} site and the lone pair electrons from the Bi{sup 3+} cation are influencing the site distortion. This is in agreement with other two-layer Aurivillius phases and originates from bonding requirements depending on size and electronic environment.

  2. 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.

  3. 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.

  4. 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.

  5. The effects of small ice crystals on the infrared radiative properties of cirrus clouds

    NASA Technical Reports Server (NTRS)

    Takano, Y.; Liou, K. N.; Asano, S.; Heymsfield, A.; Minnis, P.

    1990-01-01

    To be successful in the development of satellite retrieval methodologies for the determination of cirrus cloud properties, we must have fundamental scattering and absorption data on nonspherical ice crystals that are found in cirrus clouds. Recent aircraft observations (Platt et al. 1989) reveal that there is a large amount of small ice particles, on the order of 10 micron, in cirrus clouds. Thus it is important to explore the potential differences in the scattering and absorption properties of ice crystals with respect to their sizes and shapes. In this study the effects of nonspherical small ice crystals on the infrared radiative properties of cirrus clouds are investigated using light scattering properties of spheroidal particles. In Section 2, using the anomalous diffraction theory for spheres and results from the exact spheroid scattering program, efficient parameterization equations are developed for calculations of the scattering and absorption properties for small ice crystals. Parameterization formulas are also developed for large ice crystals using results computed from the geometric ray-tracing technique and the Fraunhofer diffraction theory for spheroids and hexagonal crystals. This is presented in Section 3. Finally, applications to the satellite remote sensing are described in Section 4.

  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. 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.

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

    NASA Astrophysics Data System (ADS)

    Komurcu, Muge

    2016-09-01

    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.

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

    PubMed

    Kurbidaeva, Amina; Ezhova, Tatiana; Novokreshchenova, Maria

    2014-12-01

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

  11. A new experimental setup to investigate nucleation, dynamic growth and surface properties of single ice crystals

    NASA Astrophysics Data System (ADS)

    Voigtlaender, Jens; Bieligk, Henner; Niedermeier, Dennis; Clauss, Tina; Chou, Cédric; Ulanowski, Zbigniew; Stratmann, Frank

    2013-04-01

    The nucleation and growth of atmospheric ice particles is of importance for both, weather and climate. However, knowledge is still sparse, e.g. when considering the influences of ice particle surface properties on the radiative properties of clouds. Therefore, based on the experiences with our laminar flow tube chamber LACIS (Leipzig Aerosol Cloud Interaction Simulator, Stratmann et al., 2004), we developed a new device to characterize nucleation, dynamic growth and light scattering properties of a fixed single ice crystal in dependence on the prevailing thermodynamic conditions. Main part of the new setup is a thermodynamically controlled laminar flow tube with a diameter of 15 mm and a length of 1.0 m. Connected to the flow tube is a SID3-type (Small Ice Detector, Kaye et al., 2008) instrument called LISA (Leipzig Ice Scattering Apparatus), equipped with an additional optical microscope. For the investigations, a single ice nucleus (IN) with a dry size of 2-5 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. Two mass flow controllers adjusting a dry and a humidified gas flow are applied to control both, the temperature and the saturation ratio over a wide range. The thermodynamic conditions in the experiments were characterized using a) temperature and dew-point measurements, and b) computational fluid dynamics (CFD) calculations. Dependent on temperature and saturation ratio in the measuring volume, ice nucleation and ice crystal growth/shrinkage can occur. The optical microscope allows a time dependent visualization of the particle/ice crystal, and the LISA instrument is used to obtain 2-D light scattering patterns. Both devices together can be applied to investigate the influence of thermodynamic conditions on ice crystal growth, in particular its shape and surface properties. We successfully performed

  12. 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

  13. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

    Climate predictions are affected by high uncertainties partially due to an insufficient knowledge of aerosol-cloud interactions. One of the poorly understood processes is formation of mixed-phase clouds (MPCs) via heterogeneous ice nucleation. Field measurements of the atmospheric ice phase in MPCs are challenging due to the presence of much more numerous liquid droplets. The Ice Selective Inlet (ISI), presented in this paper, is a novel inlet designed to selectively sample pristine ice crystals in mixed-phase clouds and extract the ice residual particles contained within the crystals for physical and chemical characterization. Using a modular setup composed of a cyclone impactor, droplet evaporation unit and pumped counterflow virtual impactor (PCVI), the ISI segregates particles based on their inertia and phase, exclusively extracting small ice particles between 5 and 20 μm in diameter. The setup also includes optical particle spectrometers for analysis of the number size distribution and shape of the sampled hydrometeors. The novelty of the ISI is a droplet evaporation unit, which separates liquid droplets and ice crystals in the airborne state, thus avoiding physical impaction of the hydrometeors and limiting potential artefacts. The design and validation of the droplet evaporation unit is based on modelling studies of droplet evaporation rates and computational fluid dynamics simulations of gas and particle flows through the unit. Prior to deployment in the field, an inter-comparison of the optical particle size spectrometers and a characterization of the transmission efficiency of the PCVI was conducted in the laboratory. The ISI was subsequently deployed during the Cloud and Aerosol Characterization Experiment (CLACE) 2013 and 2014 - two extensive international field campaigns encompassing comprehensive measurements of cloud microphysics, as well as bulk aerosol, ice residual and ice nuclei properties. The campaigns provided an important opportunity for a

  15. 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.

  16. 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.

  17. 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

  18. 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.

  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

  1. 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-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 ((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 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

  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. 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.

  4. Development and characterization of an ice-selecting pumped counterflow virtual impactor (IS-PCVI) to study ice crystal residuals

    NASA Astrophysics Data System (ADS)

    Hiranuma, Naruki; Möhler, Ottmar; Kulkarni, Gourihar; Schnaiter, Martin; Vogt, Steffen; Vochezer, Paul; Järvinen, Emma; Wagner, Robert; Bell, David M.; Wilson, Jacqueline; Zelenyuk, Alla; Cziczo, Daniel J.

    2016-08-01

    Separation of particles that play a role in cloud activation and ice nucleation from interstitial aerosols has become necessary to further understand aerosol-cloud interactions. The pumped counterflow virtual impactor (PCVI), which uses a vacuum pump to accelerate the particles and increase their momentum, provides an accessible option for dynamic and inertial separation of cloud elements. However, the use of a traditional PCVI to extract large cloud hydrometeors is difficult mainly due to its small cut-size diameters (< 5 µm). Here, for the first time we describe a development of an ice-selecting PCVI (IS-PCVI) to separate ice in controlled mixed-phase cloud system based on the particle inertia with the cut-off diameter ≥ 10 µm. We also present its laboratory application demonstrating the use of the impactor under a wide range of temperature and humidity conditions. The computational fluid dynamics simulations were initially carried out to guide the design of the IS-PCVI. After fabrication, a series of validation laboratory experiments were performed coupled with the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) expansion cloud simulation chamber. In the AIDA chamber, test aerosol particles were exposed to the ice supersaturation conditions (i.e., RHice > 100 %), where a mixture of droplets and ice crystals was formed during the expansion experiment. In parallel, the flow conditions of the IS-PCVI were actively controlled, such that it separated ice crystals from a mixture of ice crystals and cloud droplets, which were of diameter ≥ 10 µm. These large ice crystals were passed through the heated evaporation section to remove the water content. Afterwards, the residuals were characterized with a suite of online and offline instruments downstream of the IS-PCVI. These results were used to assess the optimized operating parameters of the device in terms of (1) the critical cut-size diameter, (2) the transmission efficiency and (3) the counterflow

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

    NASA Astrophysics Data System (ADS)

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

    2008-07-01

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

  6. Scattering properties of horizontally oriented ice crystal columns in cirrus clouds. Part 1.

    PubMed

    Rockwitz, K D

    1989-10-01

    A ray tracing technique is presented based on the fundamental laws of ray and wave optics; it has been used to calculate the scattering properties of hexagonal ice crystals. These crystals were assumed to be oriented preferably horizontal, and, therefore, the resulting phase functions have been plotted vs direction in 3-D space contrary to earlier calculations of other authors. The anisotropy of the scattered radiation is clearly shown; on the average the phase function varies over ~2 orders of magnitude. From these single scattering results the multiple scattering between various ice crystals has also been calculated.

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

  8. 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.

  9. 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

  10. 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.

  11. The crystal structure of waxes.

    PubMed

    Dorset, D L

    1995-12-01

    Quantitative electron crystallographic studies have been carried out on epitaxially oriented multi-component waxes. Intensities from two paraffin-based samples, an artificial six-component medium wax (equimolar distribution of chain lengths) and a petroleum-based wax (Gaussian distribution of chain lengths) have been used to determine their crystal structures. As found earlier for binary paraffin solid solutions, differences in molecular volume are compensated by longitudinal molecular shifts within individual lamellae. Nevertheless, each lamellar surface must remain flat enough, and with enough crystallographic order intact, to nucleate the next lamella, thus accounting for the observed long-range correlation in these crystals. Recrystallized beeswax also has a layer packing somewhat similar to the paraffin waxes. However, in this case, the lamellar order is 'frustrated' so that a certain amount of 'nematically' ordered material must be present, spanning the nascent lamellar interfaces. PMID:8554724

  12. 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

  13. 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

  14. 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

  15. 2D ice from first principles: structures and phase transitions

    NASA Astrophysics Data System (ADS)

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

    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 ca. 2 GPa at which point square and rhombic phases are stable. The square phase agrees with recent experimental observations of square ice confined within graphene sheets. We also find a double layer AA stacked square ice phase, which clarifies the difference between experimental observations and earlier force field simulations. This work provides a fresh perspective on 2D confined ice, highlighting the sensitivity of the structures observed to both the confining pressure and width.

  16. 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.

  17. 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.

  18. [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 µm 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.

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

    SciTech Connect

    Shi, Xiangjun; Liu, Xiaohong; Zhang, Kai

    2015-01-01

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

  20. 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.

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

    PubMed Central

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

    2016-01-01

    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

  2. Mechanical interactions between ice crystals and red blood cells during directional solidification.

    PubMed

    Ishiguro, H; Rubinsky, B

    1994-10-01

    Experiments in which red blood cells were frozen on a directional solidification stage under a microscope show that there is a mechanical interaction between ice crystals and cells in which cells are pushed and deformed by the ice crystals. The mechanical interaction occurs during freezing of cells in physiological saline and is significantly inhibited by the addition of 20% v/v glycerol to the solution. The addition of osmotically insignificant quantities of antifreeze proteins from the winter flounder or ocean pout to the physiological saline with 20% v/v glycerol generates strong mechanical interactions between the ice and the cells. The cells were destroyed during freezing in physiological saline, survived freezing in physiological saline with glycerol, and were completely destroyed by the addition of antifreeze proteins to the solution with glycerol. The difference in cell survival through freezing and thawing appears to be related, in part, to the habit of ice crystal growing in the suspension of red blood cells and the nature of mechanical interaction between the ice crystal and the cells. This suggests that mechanical damage may be a factor during cryopreservation of cells.

  3. Comparison of measured and computed phase functions of individual tropospheric ice crystals

    NASA Astrophysics Data System (ADS)

    Stegmann, Patrick G.; Tropea, Cameron; Järvinen, Emma; Schnaiter, Martin

    2016-07-01

    Airplanes passing the incuda (lat. anvils) regions of tropical cumulonimbi-clouds are at risk of suffering an engine power-loss event and engine damage due to ice ingestion (Mason et al., 2006 [1]). Research in this field relies on optical measurement methods to characterize ice crystals; however the design and implementation of such methods presently suffer from the lack of reliable and efficient means of predicting the light scattering from ice crystals. The nascent discipline of direct measurement of phase functions of ice crystals in conjunction with particle imaging and forward modelling through geometrical optics derivative- and Transition matrix-codes for the first time allow us to obtain a deeper understanding of the optical properties of real tropospheric ice crystals. In this manuscript, a sample phase function obtained via the Particle Habit Imaging and Polar Scattering (PHIPS) probe during a measurement campaign in flight over Brazil will be compared to three different light scattering codes. This includes a newly developed first order geometrical optics code taking into account the influence of the Gaussian beam illumination used in the PHIPS device, as well as the reference ray tracing code of Macke and the T-matrix code of Kahnert.

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

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

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

  5. 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.

  6. Crystal alignments in the fast ice of Arctic Alaska

    SciTech Connect

    Weeks, W.F.; Gow, A.J.

    1980-02-20

    Field observations at 60 sites located in the fast or near-fast ice along a 1200-km stretch of the north coast of Alaska between the Bering Strait and Barter Island have shown that the great majority of the ice samples (95%) exhibit striking c axis alignments within the horizontal plane. In all cases the degree of preferred orientation increased with depth in the ice. Representative standard deviations around a mean direction in the horizontal plane are commonly less than +- 10/sup 0/ for samples collected near the bottom of the ice. At a given site the mean c axis direction X-bar/sub 0/ may vary as much as 20/sup 0/ with vertical location in the ice sheet. The c axis allignments in the nearshore region generally parallel the coast, with strong alignments occurring in the lagoon systems between the barrier islands and the coast and seaward of the barrier islands. In passes between islands and in entrances such as the opening to Kotzebue Sound the alignment is parallel to the channel. Only limited observations are available farther seaward over the inner (10- to 50-m isobaths) and outer (50-m isobath to shelf break) shelf regions. These indicate Ne-SW and E-W alignments, respectively, in the Beaufort Sea north of Prudhoe Bay.

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

    SciTech Connect

    Terada, Hiroshi; Tokunaga, Alan T.

    2012-07-01

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

  8. Closure between ice-nucleating particle and ice crystal number concentrations in ice clouds embedded in Saharan dust: Lidar observation during the BACCHUS Cyprus 2015 campaign

    NASA Astrophysics Data System (ADS)

    Mamouri, Rodanthi-Elisavet; Ansmann, Albert; Bühl, Johannes; Engelmann, Ronny; Baars, Holger; Nisantzi, Argyro; Hadjimitsis, Diofantos; Atkinson, James; Kanji, Zamin; Vrekoussis, Michalis; Sciare, Jean; Mihalopoulos, Nikos

    2016-04-01

    For the first time, we compare ice-nucleating particle number concentration (INPC) derived from polarization lidar (Mamouri and Ansmann, 2015) with ice crystal number concentrations (ICNC) in ice cloud layers embedded in the observed Saharan dust layers (at heights above 6 km and corresponding temperatures from -20 to -40°C). ICNC is estimated from the respective cirrus extinction profiles obtained with the same polarization lidar in combination with Doppler lidar measurements of the ice crystal sedimentation speed from which the mean size of the crystals can be estimated. Good agreement between INPC and ICNC was obtained for two case studies of the BACCHUS Cyprus 2015 field campaign with focus on INPC profiling. The campaign was organized by the Cyprus Institute, Nicosia, where a lidar was deployed. Additionaly, observations of AERONET and EALINET Lidar stations during the BACCHUS Cyprus 2015 field campaign, performed by Cyprus University of Technology in Limassol. Both, INPC and ICNC were found in the range from 10-50 1/L. Lidar-derived INPC values were also compared with in-situ INPC measurements (Horizontal Ice Nucleation Chamber, HINC, ETH Zurich, deployed at Agia Marina, at 500 m a.s.l., 30 km west of the lidar site). Reasonable and partly good agreement (during dust events) was found between the two retrievals. The findings of these closure studies corroborate the applicability of available INPC parameterization schemes (DeMott et al., 2010, 2015) implemented in the lidar retrieval scheme, and more generally INPC profiling by using active remote sensing (at ground and in space with CALIPSO and EarthCARE lidars).

  9. Checking nucleic acid crystal structures.

    PubMed

    Das, U; Chen, S; Fuxreiter, M; Vaguine, A A; Richelle, J; Berman, H M; Wodak, S J

    2001-06-01

    The program SFCHECK [Vaguine et al. (1999), Acta Cryst. D55, 191-205] is used to survey the quality of the structure-factor data and the agreement of those data with the atomic coordinates in 105 nucleic acid crystal structures for which structure-factor amplitudes have been deposited in the Nucleic Acid Database [NDB; Berman et al. (1992), Biophys. J. 63, 751-759]. Nucleic acid structures present a particular challenge for structure-quality evaluations. The majority of these structures, and DNA molecules in particular, have been solved by molecular replacement of the double-helical motif, whose high degree of symmetry can lead to problems in positioning the molecule in the unit cell. In this paper, the overall quality of each structure was evaluated using parameters such as the R factor, the correlation coefficient and various atomic error estimates. In addition, each structure is characterized by the average values of several local quality indicators, which include the atomic displacement, the density correlation, the B factor and the density index. The latter parameter measures the relative electron-density level at the atomic position. In order to assess the quality of the model in specific regions, the same local quality indicators are also surveyed for individual groups of atoms in each structure. Several of the global quality indicators are found to vary linearly with resolution and less than a dozen structures are found to exhibit values significantly different from the mean for these indicators, showing that the quality of the nucleic acid structures tends to be rather uniform. Analysis of the mutual dependence of the values of different local quality indicators, computed for individual residues and atom groups, reveals that these indicators essentially complement each other and are not redundant with the B factor. Using several of these indicators, it was found that the atomic coordinates of the nucleic acid bases tend to be better defined than those of

  10. 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.

  11. From the single-scattering properties of ice crystals to climate prediction: A way forward

    NASA Astrophysics Data System (ADS)

    Baran, Anthony J.

    2012-08-01

    Cirrus is composed of non-spherical ice crystals, and against the blue background of the sky, they appear as tenuous wispy clouds, usually located at altitudes greater than about 6 km. Their spatial and temporal distribution about the Earth's atmosphere is significant. With such distributions, their contributions to the Earth's natural greenhouse effect and hydrological cycle are important. Therefore, it is important that climate models are able to predict the radiative effect of cirrus, as well as their contribution to the total amount of ice mass that occurs in the Earth's atmosphere. However, cirrus is composed of ice crystals that can take on a variety of geometrical shapes, from pristine habits such as hexagonal ice columns, hexagonal ice plates and bullet-rosettes, to highly randomized habits, which may have roughened surfaces and/or air cavities. These habits also aggregate together, to form chains of aggregates and compact aggregates. The sizes of these habits may also vary, from about less than 10 μm, to several cm, with the smaller ice crystals usually existing toward cloud-top and the larger ice crystals existing toward the cloud-bottom. Due to this variability of geometrical complexity, size, and ice mass, predicting the magnitude of the cirrus greenhouse effect has proven problematic. To try to constrain these radiative and hydrological uncertainties, since about 2006 there is now available the A-train constellation of satellites, which attempt to quantify the radiative and hydrological contributions of cirrus to the Earth's atmosphere. The A-train obtains nearly simultaneous measurements of cirrus from across the electromagnetic spectrum. Such simultaneous measurements pose challenges for theoretical scattering models of cirrus, as these models must conserve ice mass and be physically consistent across the electromagnetic spectrum. In this review paper, the microphysical properties of cirrus are summarized. The current idealized habit mixture models

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

    NASA Technical Reports Server (NTRS)

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

    2009-01-01

    In situ measurements of ice crystal concentrations and sizes made with aircraft instrumentation over the past two decades have often indicated the presence of numerous relatively small (< 50 m diameter) crystals in cirrus clouds. Further, these measurements frequently indicate that small crystals account for a large fraction of the extinction in cirrus clouds. The fact that the instruments used to make these measurements, such as the Forward Scattering Spectrometer Probe (FSSP) and the Cloud Aerosol Spectrometer (CAS), ingest ice crystals into the sample volume through inlets has led to suspicion that the indications of numerous small ]crystals could be artifacts of large ]crystal shattering on the instrument inlets. We present new aircraft measurements in anvil cirrus sampled during the Tropical Composition, Cloud, and Climate Coupling (TC4) campaign with the 2 ] Dimensional Stereo (2D ]S) probe, which detects particles as small as 10 m. The 2D ]S has detector "arms" instead of an inlet tube. Since the 2D ]S probe surfaces are much further from the sample volume than is the case for the instruments with inlets, it is expected that 2D ]S will be less susceptible to shattering artifacts. In addition, particle inter ]arrival times are used to identify and remove shattering artifacts that occur even with the 2D ]S probe. The number of shattering artifacts identified by the 2D ]S interarrival time analysis ranges from a negligible contribution to an order of magnitude or more enhancement in apparent ice concentration over the natural ice concentration, depending on the abundance of large crystals and the natural small ]crystal concentration. The 2D ]S measurements in tropical anvil cirrus suggest that natural small ]crystal concentrations are typically one to two orders of magnitude lower than those inferred from CAS. The strong correlation between the CAS/2D ]S ratio of small ]crystal concentrations and large ]crystal concentration suggests that the discrepancy is

  13. Nitrogen oxides formation through electrical processes in the middle atmosphere and subsequent effects on ice crystals

    NASA Astrophysics Data System (ADS)

    Peterson, Harold S.

    2008-10-01

    Two research projects are detailed in this document. The first examines nitrogen oxides (NOx) produced in the middle atmosphere by transient luminous events (TLEs), e.g. red sprites and blue jets. A pressure-controlled chamber and high-voltage power supplies were used to simulate middle atmosphere discharges. Chemiluminescence NOx analyzers were used to sample NOx produced by the chamber discharges. Total NOx production for each discharge as well as NOx per ampere of current and NO x per Joule of discharge energy were investigated. Absolute NO x production was greatest for discharge environments with upper tropospheric pressures (100-380 torr), while NOx/J was greatest for discharge environments with stratospheric pressures (around 10 torr). The different production efficiencies in NOx/J as a function of pressure pointed to three different production regimes, each with its own reaction mechanisms: one for tropospheric pressures, one for stratospheric pressures, and one for upper stratospheric to mesospheric pressures (no greater than 1 torr). Using global lightning frequency as a proxy for sprite frequency, global annual average sprite frequency was estimated. In a separate experiment, a temperature and pressure controlled cloud chamber was used to grow ice crystals under atmospheric conditions representative of the tropopause and upper troposphere. Ice crystals were grown at -60°C and -70°C and ice supersaturation ranging between 0.125 and 1.01. Examination of ice crystals for stepped growth was investigated. Ice crystals were also observed for changes in growth in air containing NO. Ice crystals were observed to grow more rapidly when NO was added after growth began, but at the same rate if NO was present before the onset of growth.

  14. Septin crystallization for structural analysis.

    PubMed

    Valadares, N F; Garratt, R C

    2016-01-01

    Septins are filament-forming proteins found in many eukaryotes. Despite being important components of the cytoskeleton, only recently details of their macromolecular assemblies and crystal structures have started to appear in the literature. These are of fundamental importance to the understanding of cytoskeleton dynamics, membrane barrier formation, and bacterial caging, as well as essential cellular processes such as cell division, exocytosis, and vesicle trafficking. However, obtaining this data is frequently hindered by several experimental difficulties common to the majority of septin samples. Here we provide an overview of the current approaches to circumvent or minimize the experimental complications observed in septin crystallography focusing mainly, but not exclusively, on the choice of the septin construct and how to best prepare the sample itself. PMID:27473918

  15. 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.

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

    PubMed

    Pujol, Olivier; Brogniez, Gérard; 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)θ, θ being the angle of diffraction. The analytical formula proposed is exact. The key point of this study is conservation of electromagnetic energy.

  17. Comparing modelled and measured ice crystal concentrations in orographic clouds during the INUPIAQ campaign

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    At temperatures between -35°C and 0°C, the presence of insoluble aerosols acting as ice nuclei (IN) is the only way in which ice can nucleate under atmospheric conditions. Previous field and laboratory campaigns have suggested that mineral dust present in the atmosphere act as IN at temperatures warmer than -35°C (e.g. Sassen et al. 2003); however, the cause of ice nucleation at temperatures greater than -10°C is less certain. In-situ measurements of aerosol properties and cloud micro-physical processes are required to drive the improvement of aerosol-cloud processes in numerical models. As part of the Ice NUcleation Process Investigation and Quantification (INUPIAQ) project, two field campaigns were conducted in the winters of 2013 and 2014 (Lloyd et al. 2014). Both campaigns included measurements of cloud micro-physical properties at the summit of Jungfraujoch in Switzerland (3580m asl), using cloud probes, including the Two-Dimensional Stereo Hydrometeor Spectrometer (2D-S), the Cloud Particle Imager 3V (CPI-3V) and the Cloud Aerosol Spectrometer with Depolarization (CAS-DPOL). The first two of these probes measured significantly higher ice number concentrations than those observed in clouds at similar altitudes from aircraft. In this contribution, we assess the source of the high ice number concentrations observed by comparing in-situ measurements at Jungfraujoch with WRF simulations applied to the region around Jungfraujoch. During the 2014 field campaign the model simulations regularly simulated ice particle concentrations that were 3 orders of magnitude per litre less than the observed ice number concentration, even taking into account the aerosol properties measured upwind. WRF was used to investigate a number of potential sources of the high ice crystal concentrations, including: an increased ice nucleating particle (INP) concentration, secondary ice multiplication and the advection of surface ice or snow crystals into the clouds. It was found that the

  18. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  20. 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

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

    PubMed

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

    2014-07-17

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

  2. Retrieval of ice crystals' mass from ice water content and particle distribution measurements: a numerical optimization approach

    NASA Astrophysics Data System (ADS)

    Coutris, Pierre; Leroy, Delphine; Fontaine, Emmanuel; Schwarzenboeck, Alfons; Strapp, J. Walter

    2016-04-01

    A new method to retrieve cloud water content from in-situ measured 2D particle images from optical array probes (OAP) is presented. With the overall objective to build a statistical model of crystals' mass as a function of their size, environmental temperature and crystal microphysical history, this study presents the methodology to retrieve the mass of crystals sorted by size from 2D images using a numerical optimization approach. The methodology is validated using two datasets of in-situ measurements gathered during two airborne field campaigns held in Darwin, Australia (2014), and Cayenne, France (2015), in the frame of the High Altitude Ice Crystals (HAIC) / High Ice Water Content (HIWC) projects. During these campaigns, a Falcon F-20 research aircraft equipped with state-of-the art microphysical instrumentation sampled numerous mesoscale convective systems (MCS) in order to study dynamical and microphysical properties and processes of high ice water content areas. Experimentally, an isokinetic evaporator probe, referred to as IKP-2, provides a reference measurement of the total water content (TWC) which equals ice water content, (IWC) when (supercooled) liquid water is absent. Two optical array probes, namely 2D-S and PIP, produce 2D images of individual crystals ranging from 50 μm to 12840 μm from which particle size distributions (PSD) are derived. Mathematically, the problem is formulated as an inverse problem in which the crystals' mass is assumed constant over a size class and is computed for each size class from IWC and PSD data: PSD.m = IW C This problem is solved using numerical optimization technique in which an objective function is minimized. The objective function is defined as follows: 2 J(m)=∥P SD.m - IW C ∥ + λ.R (m) where the regularization parameter λ and the regularization function R(m) are tuned based on data characteristics. The method is implemented in two steps. First, the method is developed on synthetic crystal populations in

  3. Retrieval of ice crystals' mass from ice water content and particle distribution measurements: a numerical optimization approach

    NASA Astrophysics Data System (ADS)

    Coutris, Pierre; Leroy, Delphine; Fontaine, Emmanuel; Schwarzenboeck, Alfons; Strapp, J. Walter

    2016-04-01

    A new method to retrieve cloud water content from in-situ measured 2D particle images from optical array probes (OAP) is presented. With the overall objective to build a statistical model of crystals' mass as a function of their size, environmental temperature and crystal microphysical history, this study presents the methodology to retrieve the mass of crystals sorted by size from 2D images using a numerical optimization approach. The methodology is validated using two datasets of in-situ measurements gathered during two airborne field campaigns held in Darwin, Australia (2014), and Cayenne, France (2015), in the frame of the High Altitude Ice Crystals (HAIC) / High Ice Water Content (HIWC) projects. During these campaigns, a Falcon F-20 research aircraft equipped with state-of-the art microphysical instrumentation sampled numerous mesoscale convective systems (MCS) in order to study dynamical and microphysical properties and processes of high ice water content areas. Experimentally, an isokinetic evaporator probe, referred to as IKP-2, provides a reference measurement of the total water content (TWC) which equals ice water content, (IWC) when (supercooled) liquid water is absent. Two optical array probes, namely 2D-S and PIP, produce 2D images of individual crystals ranging from 50 μm to 12840 μm from which particle size distributions (PSD) are derived. Mathematically, the problem is formulated as an inverse problem in which the crystals' mass is assumed constant over a size class and is computed for each size class from IWC and PSD data: PSD.m = IW C This problem is solved using numerical optimization technique in which an objective function is minimized. The objective function is defined as follows: 2 J(m)=∥P SD.m ‑ IW C ∥ + λ.R (m) where the regularization parameter λ and the regularization function R(m) are tuned based on data characteristics. The method is implemented in two steps. First, the method is developed on synthetic crystal populations in

  4. 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

  5. Advantages of ice crystal growth experiments in a low gravity environment

    NASA Technical Reports Server (NTRS)

    Anderson, B. J.; Keller, V. W.; Hallett, J.

    1979-01-01

    The effects of convective fluid motions and mechanical supports on ice crystal growth in experiments conducted on earth can be inferred from studies conducted in their absence in a low-gravity environment. Current experimental results indicate the effects may be significant.

  6. A laboratory investigation of vapor-grown ice crystals at low atmospheric temperatures

    NASA Astrophysics Data System (ADS)

    Magee, Nathan B.

    An experimental system for controlled growth of small ice crystals has been developed and used to produce new measurements of ice crystal growth at low atmospheric temperature. The experimental arrangement allows for temperatures as low as -65°C and can produce ice supersaturations in excess of liquid water saturation at all sub-freezing temperatures. This well-insulated system is combined with a novel use of quadrupole electrodynamic levitation to monitor the evolution of single ice particles as they grow and evaporate. Measurements have been made on crystals growing on glass fibers as well as levitated crystals at various temperatures meant to simulate the possible environment of a cirrus cloud. It has been found that the growth and evaporation rates of the particles can be approximately modeled using a modified version of the classical capacitance model. The comparison of model calculations with data provides strong evidence for low kinetic deposition coefficients. These results offer some important insights into bulk cirrus behavior and offer a way to improve microphysical parameterizations in cold-cloud modeling.

  7. 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.

  8. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2006-12-01

    The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically- symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over-saturation, determines crystal morphology, there are no existing quantitative models that directly relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be a direct relationship between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D Lattice-Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. The input parameters needed are the isotope-dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the sticking coefficient (or accommodation coefficient) for ice is uncertain. The ratio D/k is a length that determines the minimum scale of dendritic growth features and allows us to scale the numerical calculations to atmospheric conditions using a dimensionless Damkohler number

  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

  11. 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.

  12. 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

  13. 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.

  14. 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 .

  15. Investigation of ferromagnetic resonance and magnetoresistance in anti-spin ice structures

    NASA Astrophysics Data System (ADS)

    Ribeiro, I. R. B.; Felix, J. F.; Figueiredo, L. C.; Morais, P. C.; Ferreira, S. O.; Moura-Melo, W. A.; Pereira, A. R.; Quindeau, A.; de Araujo, C. I. L.

    2016-11-01

    In this work, we report experimental and theoretical investigations performed in anti-spin ice structures, composed by square lattice of elongated antidots, patterned in nickel thin film. The magnetic vortex crystal state was obtained by micromagnetic simulation as the ground state magnetization, which arises due to the magnetic stray field at the antidot edges inducing chirality in the magnetization of platters among antidots. Ferromagnetic resonance (FMR) and magnetoresistance (MR) measurements were utilized to investigate the vortex crystal magnetization dynamics and magnetoelectric response. By using FMR, it was possible to detect the spin wave modes and vortex crystal resonance, in good agreement with dynamic micromagnetic simulation results. The vortex crystal magnetization configuration and its response to the external magnetic field, were used to explain the isotropic MR behaviour observed.

  16. Investigation of ferromagnetic resonance and magnetoresistance in anti-spin ice structures.

    PubMed

    Ribeiro, I R B; Felix, J F; Figueiredo, L C; Morais, P C; Ferreira, S O; Moura-Melo, W A; Pereira, A R; Quindeau, A; de Araujo, C I L

    2016-11-16

    In this work, we report experimental and theoretical investigations performed in anti-spin ice structures, composed by square lattice of elongated antidots, patterned in nickel thin film. The magnetic vortex crystal state was obtained by micromagnetic simulation as the ground state magnetization, which arises due to the magnetic stray field at the antidot edges inducing chirality in the magnetization of platters among antidots. Ferromagnetic resonance (FMR) and magnetoresistance (MR) measurements were utilized to investigate the vortex crystal magnetization dynamics and magnetoelectric response. By using FMR, it was possible to detect the spin wave modes and vortex crystal resonance, in good agreement with dynamic micromagnetic simulation results. The vortex crystal magnetization configuration and its response to the external magnetic field, were used to explain the isotropic MR behaviour observed. PMID:27618358

  17. A study on ice crystal formation behavior at intracellular freezing of plant cells using a high-speed camera.

    PubMed

    Ninagawa, Takako; Eguchi, Akemi; Kawamura, Yukio; Konishi, Tadashi; Narumi, Akira

    2016-08-01

    Intracellular ice crystal formation (IIF) causes several problems to cryopreservation, and it is the key to developing improved cryopreservation techniques that can ensure the long-term preservation of living tissues. Therefore, the ability to capture clear intracellular freezing images is important for understanding both the occurrence and the IIF behavior. The authors developed a new cryomicroscopic system that was equipped with a high-speed camera for this study and successfully used this to capture clearer images of the IIF process in the epidermal tissues of strawberry geranium (Saxifraga stolonifera Curtis) leaves. This system was then used to examine patterns in the location and formation of intracellular ice crystals and to evaluate the degree of cell deformation because of ice crystals inside the cell and the growing rate and grain size of intracellular ice crystals at various cooling rates. The results showed that an increase in cooling rate influenced the formation pattern of intracellular ice crystals but had less of an effect on their location. Moreover, it reduced the degree of supercooling at the onset of intracellular freezing and the degree of cell deformation; the characteristic grain size of intracellular ice crystals was also reduced, but the growing rate of intracellular ice crystals was increased. Thus, the high-speed camera images could expose these changes in IIF behaviors with an increase in the cooling rate, and these are believed to have been caused by an increase in the degree of supercooling.

  18. A study on ice crystal formation behavior at intracellular freezing of plant cells using a high-speed camera.

    PubMed

    Ninagawa, Takako; Eguchi, Akemi; Kawamura, Yukio; Konishi, Tadashi; Narumi, Akira

    2016-08-01

    Intracellular ice crystal formation (IIF) causes several problems to cryopreservation, and it is the key to developing improved cryopreservation techniques that can ensure the long-term preservation of living tissues. Therefore, the ability to capture clear intracellular freezing images is important for understanding both the occurrence and the IIF behavior. The authors developed a new cryomicroscopic system that was equipped with a high-speed camera for this study and successfully used this to capture clearer images of the IIF process in the epidermal tissues of strawberry geranium (Saxifraga stolonifera Curtis) leaves. This system was then used to examine patterns in the location and formation of intracellular ice crystals and to evaluate the degree of cell deformation because of ice crystals inside the cell and the growing rate and grain size of intracellular ice crystals at various cooling rates. The results showed that an increase in cooling rate influenced the formation pattern of intracellular ice crystals but had less of an effect on their location. Moreover, it reduced the degree of supercooling at the onset of intracellular freezing and the degree of cell deformation; the characteristic grain size of intracellular ice crystals was also reduced, but the growing rate of intracellular ice crystals was increased. Thus, the high-speed camera images could expose these changes in IIF behaviors with an increase in the cooling rate, and these are believed to have been caused by an increase in the degree of supercooling. PMID:27343136

  19. Polarization and effective Mueller matrix for multiple scattering of light by nonspherical ice crystals.

    PubMed

    Lawless, Ryan; Xie, Yu; Yang, Ping; Kattawar, George W; Laszlo, Istvan

    2006-07-10

    We investigated the errors associated with the scalar approximation (i.e., an approach that neglects polarization effects) for simulating the intensity of the radiation reflected by an ice cloud. In a case for an optical thickness of tau=1, the relative errors of the scalar approximation are typically between -0.5% and 0.1%. We also investigated the effect of the order of scattering on the degree of linear polarization. It is shown that substantial errors can be introduced by the first-order scattering approximation, and thus, the multiple-scattering effect is essential to an accurate simulation of the polarization configuration of a radiation field. Furthermore, we investigate the effective Mueller matrix pertaining to multiple scattering of light by ice clouds. The effective Mueller matrix is a 4x4 matrix that relates the incident and scattered Stokes parameters. This matrix implicitly contains the effects of all orders of scattering and absorbing events in the entire radiation transfer process. The sensitivity of the (2,1) and (3,1) elements of the effective Mueller matrix to ice crystal shape and size indicates that polarimetric information may be useful for inferring the microphysical properties of ice crystals within ice clouds.

  20. Theoretical prediction of crystal structures of rubrene

    NASA Astrophysics Data System (ADS)

    Obata, Shigeaki; Miura, Toshiaki; Shimoi, Yukihiro

    2014-01-01

    We theoretically predict crystal structures and molecular arrangements for rubrene molecule using CONFLEX program and compare them with the experimental ones. The most, second-most, and fourth-most stable predicted crystal structures show good agreement with the triclinic, orthorhombic, and monoclinic polymorphs of rubrene, respectively. The change in molecular conformation is also predicted between crystalline and gas phases: the tetracene backbone takes flat conformation in crystalline phase as in the observed structure. Meanwhile, it is twisted in gas phase. The theoretical prediction method used in this work provides the successful results on the determination of the three kinds of crystal structures and molecular arrangements for rubrene molecule.

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

    PubMed Central

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

    2010-01-01

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

  2. 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.

  3. 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

  4. 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.

  5. Supercooling, ice nucleation and crystal growth: a systematic study in plant samples.

    PubMed

    Zaragotas, Dimitris; Liolios, Nikolaos T; Anastassopoulos, Elias

    2016-06-01

    This paper presents an innovative technological platform which is based on infrared video recording and is used for monitoring multiple ice nucleation events and their interactions, as they happen in 96 well microplates. Thousands of freezing curves were obtained during this study and the following freezing parameters were measured: cooling rate, nucleation point, freezing point, solidus point, degree of supercooling, duration of dendritic phase and duration of crystal growth. We demonstrate the use of this platform in the detection of ice nuclei in plant samples. Future applications of this platform may include breeding for frost tolerance, cryopreservation, frozen food technology and atmospheric sciences. PMID:27056262

  6. Supercooling, ice nucleation and crystal growth: a systematic study in plant samples.

    PubMed

    Zaragotas, Dimitris; Liolios, Nikolaos T; Anastassopoulos, Elias

    2016-06-01

    This paper presents an innovative technological platform which is based on infrared video recording and is used for monitoring multiple ice nucleation events and their interactions, as they happen in 96 well microplates. Thousands of freezing curves were obtained during this study and the following freezing parameters were measured: cooling rate, nucleation point, freezing point, solidus point, degree of supercooling, duration of dendritic phase and duration of crystal growth. We demonstrate the use of this platform in the detection of ice nuclei in plant samples. Future applications of this platform may include breeding for frost tolerance, cryopreservation, frozen food technology and atmospheric sciences.

  7. 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

  8. 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

  9. Simultaneous Remote Sensing of Ice Nuclei, Ice Crystals, Liquid Water and Atmospheric Dynamics in and Around Mixed-Phase Layered Clouds

    NASA Astrophysics Data System (ADS)

    Buehl, J.; Radenz, M.; Leinweber, R.; Lehmann, V.; Seifert, P.; Görsdorf, U.; Ansmann, A.

    2015-12-01

    The process of ice nucleation plays a crucial role for the hydrological cycle on Earth. It influences the lifetime of clouds and can be a key element in the early stages of rain initiation. Therefore, direct observations of ice nucleation events in the atmosphere are crucial for quantitative insight into this complex process. Recently, DeMott (2010) provided a general description of the ice nucleating ability of aerosol particles, thus the estimation of available ice nuclei, e.g., from lidar measurements becomes possible for the first time. On the other hand, sophisticated combined remote sensing methods like Cloudnet allow detailed insight into the properties of ice crystals originating from cloud layers. In this context, combined observations with Raman/Depolarization lidar and radar show show a high synergistic potential, because combined they provide high sensitivity to the properties of both aerosol particles and ice crystals. In this work, results of a measurement campaign at the Meteorological Observatory Lindenberg, Germany are presented (Bühl, 2015). For the time period of four month a PollyXT Raman/Depolarization lidar, Doppler lidar, cloud radar and wind profiler were operated together to capture the full picture of aerosol properties, vertical motions, ice and liquid water properties in and around layered clouds. The number of ice nuclei in an aerosol layer surrounding a cloud is estimated via the parameterization of DeMott (2010). The number of ice nuclei falling from an ice cloud is estimated at the same time via radar measurements. It is shown that both quantities can be used to gain detailed, quantitative knowledge about the process of ice nucleation in layered clouds. References: DeMott, P. et. al., 2010: Predicting global atmospheric ice nuclei distributions and their impacts on climate, PNAS, 107 (25) Buehl, J. et. al., 2015: Combined vertical-velocity observations with Doppler lidar, cloud radar and wind profiler, AMTD

  10. Improving Heat Transfer at the Bottom of Vials for Consistent Freeze Drying with Unidirectional Structured Ice.

    PubMed

    Rosa, Mónica; Tiago, João M; Singh, Satish K; Geraldes, Vítor; Rodrigues, Miguel A

    2016-10-01

    The quality of lyophilized products is dependent of the ice structure formed during the freezing step. Herein, we evaluate the importance of the air gap at the bottom of lyophilization vials for consistent nucleation, ice structure, and cake appearance. The bottom of lyophilization vials was modified by attaching a rectified aluminum disc with an adhesive material. Freezing was studied for normal and converted vials, with different volumes of solution, varying initial solution temperature (from 5°C to 20°C) and shelf temperature (from -20°C to -40°C). The impact of the air gap on the overall heat transfer was interpreted with the assistance of a computational fluid dynamics model. Converted vials caused nucleation at the bottom and decreased the nucleation time up to one order of magnitude. The formation of ice crystals unidirectionally structured from bottom to top lead to a honeycomb-structured cake after lyophilization of a solution with 4% mannitol. The primary drying time was reduced by approximately 35%. Converted vials that were frozen radially instead of bottom-up showed similar improvements compared with normal vials but very poor cake quality. Overall, the curvature of the bottom of glass vials presents a considerable threat to consistency by delaying nucleation and causing radial ice growth. Rectifying the vials bottom with an adhesive material revealed to be a relatively simple alternative to overcome this inconsistency.

  11. Improving Heat Transfer at the Bottom of Vials for Consistent Freeze Drying with Unidirectional Structured Ice.

    PubMed

    Rosa, Mónica; Tiago, João M; Singh, Satish K; Geraldes, Vítor; Rodrigues, Miguel A

    2016-10-01

    The quality of lyophilized products is dependent of the ice structure formed during the freezing step. Herein, we evaluate the importance of the air gap at the bottom of lyophilization vials for consistent nucleation, ice structure, and cake appearance. The bottom of lyophilization vials was modified by attaching a rectified aluminum disc with an adhesive material. Freezing was studied for normal and converted vials, with different volumes of solution, varying initial solution temperature (from 5°C to 20°C) and shelf temperature (from -20°C to -40°C). The impact of the air gap on the overall heat transfer was interpreted with the assistance of a computational fluid dynamics model. Converted vials caused nucleation at the bottom and decreased the nucleation time up to one order of magnitude. The formation of ice crystals unidirectionally structured from bottom to top lead to a honeycomb-structured cake after lyophilization of a solution with 4% mannitol. The primary drying time was reduced by approximately 35%. Converted vials that were frozen radially instead of bottom-up showed similar improvements compared with normal vials but very poor cake quality. Overall, the curvature of the bottom of glass vials presents a considerable threat to consistency by delaying nucleation and causing radial ice growth. Rectifying the vials bottom with an adhesive material revealed to be a relatively simple alternative to overcome this inconsistency. PMID:26502885

  12. 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.

  13. 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.

  14. Structural characterization of thin film photonic crystals

    SciTech Connect

    Subramania, G.; Biswas, R.; Constant, K.; Sigalas, M. M.; Ho, K. M.

    2001-06-15

    We quantitatively analyze the structure of thin film inverse-opal photonic crystals composed of ordered arrays of air pores in a background of titania. Ordering of the sphere template and introduction of the titania background were performed simultaneously in the thin film photonic crystals. Nondestructive optical measurements of backfilling with high refractive index liquids, angle-resolved reflectivity, and optical spectroscopy were combined with band-structure calculations. The analysis reveals a thin film photonic crystal structure with a very high filling fraction (92{endash}94%) of air and a substantial compression along the c axis ({similar_to}22{endash}25%).

  15. Antifreeze protein modulates cell survival during cryopreservation: mediation through influence on ice crystal growth.

    PubMed Central

    Carpenter, J F; Hansen, T N

    1992-01-01

    Antifreeze proteins (AFPs) are extremely efficient at inhibiting ice recrystallization in frozen solutions. Knight and Duman [Knight, C. A. & Duman, J. G. (1986) Cryobiology 23, 256-263] have proposed that this may be an important function of the proteins in freeze-tolerant organisms. We have tested this proposal in vitro by characterizing the influence of AFP on the recovery of cryopreserved cells, which often can survive cooling and yet subsequently be damaged by ice crystal growth during warming. Relatively low concentrations (e.g., 5-150 micrograms/ml) of winter flounder (Pseudopleuronectes americanus) AFP enhance survival of red blood cells cryopreserved in hydroxyethyl starch solutions. This effect is most apparent in samples warmed at suboptimal rates, i.e., where ice recrystallization would be exaggerated. Cryomicroscopy demonstrates that AFP inhibits ice recrystallization in the extracellular regions during the latter stages of the warming cycle. AFP concentrations that enhance survival of red cells confer partial inhibition of recrystallization. Relatively high concentrations of AFP (e.g., 1.54 mg/ml) are much more effective at inhibiting extracellular recrystallization. However, extensive growth of ice around the cell, and concomitant cell damage, is noted. The mechanism for this AFP-induced ice growth is unknown. We propose that there is a delicate balance between AFP-induced enhancement of cell preservation and AFP-induced enhancement of cell preservation and AFP-induced enhancement of cell damage and that this balance hinges on the degrees of inhibition of ice recrystallization and of preferential growth of ice around the cells. We conclude that, under appropriate conditions, one of the proposed functions of AFPs in nature can be emulated, and perhaps have application, in cryopreservation of materials of biomedical interest. Images PMID:1409591

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

    USGS Publications Warehouse

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

    2014-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Wood, S. E.

    2001-11-01

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

  18. 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.

  19. Simultaneous interferometric in-focus and out-of-focus imaging of ice crystals

    NASA Astrophysics Data System (ADS)

    Kielar, Justin Jacquot; Lemaitre, Pascal; Gobin, Carole; Yingchun, Wu; Porcheron, Emmanuel; Coetmellec, Sébastien; Grehan, Gérard; Brunel, Marc

    2016-08-01

    Using a freezing column, dendrite-like ice crystals are generated and characterized simultaneously using in-focus imaging and interferometric out-of-focus imaging. This simultaneous analysis allows a validation of size measurements made from the analysis of the 2D-autocorrelation of speckle-like interferometric out-of-focus patterns of ice crystals. Measurements of the same particles by in-focus and out-of-focus techniques are in good agreement for 75% of the particles tested. Simulations of out-of-focus patterns are in very good agreement with experimental images. The analysis of the 2D-Fourier transform of the speckle-like patterns confirms that it is possible to evaluate the 2D-autocorrelation of the global shape of the particle (i.e. its 2D-projection on the plane of the CCD sensor).

  20. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

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

  2. Pattern information extraction from crystal structures

    NASA Astrophysics Data System (ADS)

    Okuyan, Erhan; Güdükbay, Uğur; Gülseren, Oğuz

    2007-04-01

    Determining the crystal structure parameters of a material is an important issue in crystallography and material science. Knowing the crystal structure parameters helps in understanding the physical behavior of material. It can be difficult to obtain crystal parameters for complex structures, particularly those materials that show local symmetry as well as global symmetry. This work provides a tool that extracts crystal parameters such as primitive vectors, basis vectors and space groups from the atomic coordinates of crystal structures. A visualization tool for examining crystals is also provided. Accordingly, this work could help crystallographers, chemists and material scientists to analyze crystal structures efficiently. Program summaryTitle of program: BilKristal Catalogue identifier: ADYU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADYU_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: None Programming language used: C, C++, Microsoft .NET Framework 1.1 and OpenGL Libraries Computer: Personal Computers with Windows operating system Operating system: Windows XP Professional RAM: 20-60 MB No. of lines in distributed program, including test data, etc.:899 779 No. of bytes in distributed program, including test date, etc.:9 271 521 Distribution format:tar.gz External routines/libraries: Microsoft .NET Framework 1.1. For visualization tool, graphics card driver should also support OpenGL Nature of problem: Determining crystal structure parameters of a material is a quite important issue in crystallography. Knowing the crystal structure parameters helps to understand physical behavior of material. For complex structures, particularly, for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be quite hard. Solution method: The tool extracts crystal parameters such as primitive vectors, basis vectors and identify the space group from

  3. 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.

  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

  5. 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.

  6. Ice crystal damage in frozen thin sections: freezing effects and their restoration.

    PubMed

    Frederik, P M; Busing, W M

    1981-02-01

    Thin sections of unfixed kidney, fast frozen without cryoprotectants, were fixed in osmium tetroxide vapour directly after freeze drying or after 30 min in a moist atmosphere. Dry sections fixed in vapour showed ice crystal damage characteristic for the freezing procedure. This was demonstrated with freeze fracture replicas from the same preparation. Ice crystal holes were obscured in serial sections which were freeze dried and allowed to rehydrate in a moist atmosphere. The same ultrastructural appearance was observed in frozen sections brought to room temperature immediately after cutting. Frozen thin sections from unfixed tissue, if freeze dried, are very sensitive to atmospheric conditions and need some form of stabilization (e.g. osmium vapour fixation, sealing with an evaporated carbon film) before electron microscope images can be interpreted as representative for the frozen state. Restoration of ice crystal damage can occur by melting frozen sections or by rehydration of freeze dried frozen sections. Restoration phenomena will impair studies aimed at the localization of diffusible substances by autoradiography or X-ray microanalysis.

  7. 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

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

    PubMed

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

    2016-04-01

    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.

  9. 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

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

    PubMed

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

    2016-04-01

    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

  11. 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.

  12. 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).

  13. 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.

  14. 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

  15. A new method for producing artificial snow crystals using a mixture of salt and ice

    NASA Astrophysics Data System (ADS)

    Suwa, Y.; Myint, H. H.; Kurniawan, H.; Ito, F.; Kagawa, K.

    2001-07-01

    It has been found that artificial snow crystals can be produced by a simple method using a mixture of salt and ice crushed into sherbet as the cooling material. The freezing mixture of about 100 g was contained in a small styrene cup (85 mm varnothing, 50 mm height). A black acrylic plate (25 mm varnothing, 2 mm thickness) was placed on the freezing mixture in the cup. The cup was placed in a closed plastic box (130×130×65 mm). The water vapour in the air trapped in the plastic box crystallized onto the surface of the acrylic plate and made a crystal 1-2 mm in size in 20 minutes. The artificial crystal is quite similar to natural snow crystals with excellent hexagonal symmetry. A model to explain the process of producing the artificial snow crystal has been proposed, insisting that the electric field due to the static electricity from the acrylic plate plays an important role in making the seeds for the crystal growth.

  16. 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.

  17. Crystal engineering: From design of crystal structures to fabrication of composite crystals

    NASA Astrophysics Data System (ADS)

    Luo, Tzy-Jiun Mark

    This thesis reports how to design and control co-crystal structures from a kinetic point of view, and demonstrates the control of crystal morphology through understanding the kinetics and crystal structures. In chapter one, the in-situ atomic force microscope (AFM) was utilized to investigate how side chain on a glycine 2,5-diketopiperazine (GLYDKP) backbone can affect the assembly of GLYDKP, and showed that methyl groups cause larger energy barrier for crystallization. Because the introduction of functional group on the side chain could inevitably slow down the assembly process, a different approach should be considered. Chapter two shows that formic acid at low concentration can accelerate the assembly process without incorporating into the crystal structure. Because formic acid only crystallizes with GLYDKP in concentrated solution, these results prove that co-crystallization is a better method for incorporating functionalized molecules into a solid than direct modification of molecule itself. Chapter three focuses on the rational design of GLYDKP cocrystals by utilizing the observation found in chapter two. Structure of GLYDKP and formic acid crystal was analyzed to search possible guest molecules for cocrystal studies. This method successfully identified eleven molecules that crystallize with GLYDKP, and proved that crystal structure can be controlled through weak interactions such as C-H•••O=C and C-H•••Cl interactions. Chapter four and chapter five explore the possibility of using self-assembled process to control morphology of crystals and surface epitaxy. Metal(II) bis(imidazolium 2,b-pyridinedicarboxylate) complexes were chosen and two morphologies associated with different metal ions were found: rhombohedral (Type I) and rectangular (Type II) crystals. In this study, an additive was found to change the morphology of crystal from type I to type II, and then methods of producing various shapes of composite crystals were also established. These

  18. Structure-based characterization and antifreeze properties of a hyperactive ice-binding protein from the Antarctic bacterium Flavobacterium frigoris PS1.

    PubMed

    Do, Hackwon; Kim, Soon-Jong; Kim, Hak Jun; Lee, Jun Hyuck

    2014-04-01

    Ice-binding proteins (IBPs) inhibit ice growth through direct interaction with ice crystals to permit the survival of polar organisms in extremely cold environments. FfIBP is an ice-binding protein encoded by the Antarctic bacterium Flavobacterium frigoris PS1. The X-ray crystal structure of FfIBP was determined to 2.1 Å resolution to gain insight into its ice-binding mechanism. The refined structure of FfIBP shows an intramolecular disulfide bond, and analytical ultracentrifugation and analytical size-exclusion chromatography show that it behaves as a monomer in solution. Sequence alignments and structural comparisons of IBPs allowed two groups of IBPs to be defined, depending on sequence differences between the α2 and α4 loop regions and the presence of the disulfide bond. Although FfIBP closely resembles Leucosporidium (recently re-classified as Glaciozyma) IBP (LeIBP) in its amino-acid sequence, the thermal hysteresis (TH) activity of FfIBP appears to be tenfold higher than that of LeIBP. A comparison of the FfIBP and LeIBP structures reveals that FfIBP has different ice-binding residues as well as a greater surface area in the ice-binding site. Notably, the ice-binding site of FfIBP is composed of a T-A/G-X-T/N motif, which is similar to the ice-binding residues of hyperactive antifreeze proteins. Thus, it is proposed that the difference in TH activity between FfIBP and LeIBP may arise from the amino-acid composition of the ice-binding site, which correlates with differences in affinity and surface complementarity to the ice crystal. In conclusion, this study provides a molecular basis for understanding the antifreeze mechanism of FfIBP and provides new insights into the reasons for the higher TH activity of FfIBP compared with LeIBP.

  19. 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

  20. 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

  1. 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

  2. Heat flux at the base of lake ice cover estimated from fine structure of the ice-water boundary layer

    NASA Astrophysics Data System (ADS)

    Kirillin, Georgiy; Aslamov, Ilya; Kozlov, Vladimir; Granin, Nikolay; Engelhardt, Christof; Förster, Josephine

    2016-04-01

    Seasonal lake ice is a highly changeable part of the cryosphere undergoing remarkable impact by global warming. Vertical heat transport across the boundary layer under ice affects strongly the growth and melting of lake ice cover. The existing models of ice cover dynamics focus basically on the dependence of the ice thickness on the air temperature with implicit account of the snow cover effects. The heat flux at the water-ice boundary, in turn, is usually neglected or parameterized in a very simplistic form. However, neglecting of the basal ice melting due to heat flux at the ice-water interface produces appreciable errors in the modeled ice cover duration. We utilize fine-structure observations taken during 2009-2015 in ice-water boundary layers of Lake Baikal and arctic Lake Kilpisjärvi to reveal the major physical drivers of the heat exchange at the ice bottom and to explain the high geographical, spatial, and temporal variability in the heat flux magnitudes. The methods provide first detailed estimations of the heat exchange beneath the ice cover, available previously only from bulk estimations. The fluxes in Lake Baikal have magnitudes of 101 W m-2 and vary strongly between different parts of the lake being influenced by large-scale horizontal circulation with current velocities amounting at up to 7 cm s-1. The shallow lake fluxes, while an order of magnitude weaker, are highly non-stationary, being affected by the turbulence due to oscillating currents under ice. Our results demonstrate the role played by the boundary layer mixing in the ice growth and melting, as well as characterize the physical processes responsible for the vertical heat exchange and provide a basis for an improved parameterization of ice cover in coupled lake-atmosphere models.

  3. 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

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

    SciTech Connect

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

    2009-07-15

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

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

    NASA Astrophysics Data System (ADS)

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

    2009-07-01

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

  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. 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.

  8. 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

  9. 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. Englacial Structures as Indicators of the Controls on Ice Flow

    NASA Astrophysics Data System (ADS)

    Holschuh, N.; Parizek, B. R.; Alley, R. B.; Anandakrishnan, S.

    2015-12-01

    Direct sampling of the subglacial environment is costly, and will therefore never supply the spatial coverage needed to determine the basal boundary conditions required for large-scale ice-sheet modeling. Studies of the West Antarctic Ice Sheet (WAIS) show that the frictional and rheologic properties of the bed are a leading control on the evolution of the system, so developing geophysical methods to help constrain the basal characteristics of WAIS will reduce uncertainty in predictions of the timing and magnitude of future sea-level rise. Radar-imaged structures within the ice are an attractive data set for this pursuit, as they contain information about the flow dynamics that transform the horizontally deposited layers to their modern configuration; however, they can be challenging to interpret, given the number of processes acting to deform the internal layers and the difficulty in automating their analysis. In this study, we move away from the layer-tracing paradigm in favor of an automated slope extraction algorithm. This has several advantages: it does not require feature-continuity, providing a more stable result in regions of intense deformation, and it results in a data product that maps directly to model output. For steady-state features, layer slopes reflect the horizontal and vertical velocity structure, making quantitative comparison of the model and observations simple compared to the more qualitative, particle tracer comparisons done in the past. Using a higher order ice-flow model, we attempt to refine our understanding of basal properties using reflector slope fields at the grounding line of Whillans Ice Stream and the shear margin of the North East Greenland Ice Stream, with the hope of eventually using this method for basin-scale inversions.

  11. 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.

  12. Polarization lidar observations of backscatter phase matrices from oriented ice crystals and rain.

    PubMed

    Hayman, Matthew; Spuler, Scott; Morley, Bruce

    2014-07-14

    Oriented particles can exhibit different polarization properties than randomly oriented particles. These properties cannot be resolved by conventional polarization lidar systems and are capable of corrupting the interpretation of depolarization ratio measurements. Additionally, the typical characteristics of backscatter phase matrices from atmospheric oriented particles are not well established. The National Center for Atmospheric Research High Spectral Resolution Lidar was outfitted in spring of 2012 to measure the backscatter phase matrix, allowing it to fully characterize the polarization properties of oriented particles. The lidar data analyzed here considers operation at 4°, 22° and 32° off zenith in Boulder, CO, USA (40.0°N,105.2°W). The HSRL has primarily observed oriented ice crystal signatures at lidar tilt angles near 32° off zenith which corresponds to an expected peak in backscatter from horizontally oriented plates. The maximum occurrence frequency of oriented ice crystals is measured at 5 km, where 2% of clouds produced significant oriented ice signatures by exhibiting diattenuation in their scattering matrices. The HSRL also observed oriented particle characteristics of rain at all three tilt angles. Oriented signatures in rain are common at all three tilt angles. As many as 70% of all rain observations made at 22° off zenith exhibited oriented signatures. The oriented rain signatures exhibit significant linear diattenuation and retardance.

  13. Crystal structure of levomepromazine maleate.

    PubMed

    Gál, Gyula Tamás; May, Nóra Veronika; Bombicz, Petra

    2016-05-01

    The asymmetric unit of the title salt, C19H25N2OS(+)·C4H3O4 (-) [systematic name: (S)-3-(2-meth-oxy-pheno-thia-zin-10-yl)-N,N,2-tri-methyl-propanaminium hydrogen maleate], comprises two (S)-levomepromazine cations and two hydrogen maleate anions. The conformations of the two cations are similar. The major difference relates to the orientation of the meth-oxy substituent at the pheno-thia-zine ring system. The crystal components form a three-dimensional supra-molecular network via N-H⋯O, C-H⋯O and C-H⋯π inter-actions. A comparison of the conformations of the levomepromazine cations with those of the neutral mol-ecule and similar protonated mol-ecules reveals significant conformational flexibility of the pheno-thia-zine ring system and the substituent at the pheno-thia-zine N atom. PMID:27308001

  14. Stacking disorder in ice I.

    PubMed

    Malkin, Tamsin L; Murray, Benjamin J; Salzmann, Christoph G; Molinero, Valeria; Pickering, Steven J; Whale, Thomas F

    2015-01-01

    Traditionally, ice I was considered to exist in two well-defined crystalline forms at ambient pressure: stable hexagonal ice (ice Ih) and metastable cubic ice (ice Ic). However, it is becoming increasingly evident that what has been called cubic ice in the past does not have a structure consistent with the cubic crystal system. Instead, it is a stacking-disordered material containing cubic sequences interlaced with hexagonal sequences, which is termed stacking-disordered ice (ice Isd). In this article, we summarise previous work on ice with stacking disorder including ice that was called cubic ice in the past. We also present new experimental data which shows that ice which crystallises after heterogeneous nucleation in water droplets containing solid inclusions also contains stacking disorder even at freezing temperatures of around -15 °C. This supports the results from molecular simulations, that the structure of ice that crystallises initially from supercooled water is always stacking-disordered and that this metastable ice can transform to the stable hexagonal phase subject to the kinetics of recrystallization. We also show that stacking disorder in ice which forms from water droplets is quantitatively distinct from ice made via other routes. The emerging picture of ice I is that of a very complex material which frequently contains stacking disorder and this stacking disorder can vary in complexity depending on the route of formation and thermal history. PMID:25380218

  15. Determining ice water content from 2D crystal images in convective cloud systems

    NASA Astrophysics Data System (ADS)

    Leroy, Delphine; Coutris, Pierre; Fontaine, Emmanuel; Schwarzenboeck, Alfons; Strapp, J. Walter

    2016-04-01

    Cloud microphysical in-situ instrumentation measures bulk parameters like total water content (TWC) and/or derives particle size distributions (PSD) (utilizing optical spectrometers and optical array probes (OAP)). The goal of this work is to introduce a comprehensive methodology to compute TWC from OAP measurements, based on the dataset collected during recent HAIC (High Altitude Ice Crystals)/HIWC (High Ice Water Content) field campaigns. Indeed, the HAIC/HIWC field campaigns in Darwin (2014) and Cayenne (2015) provide a unique opportunity to explore the complex relationship between cloud particle mass and size in ice crystal environments. Numerous mesoscale convective systems (MCSs) were sampled with the French Falcon 20 research aircraft at different temperature levels from -10°C up to 50°C. The aircraft instrumentation included an IKP-2 (isokinetic probe) to get reliable measurements of TWC and the optical array probes 2D-S and PIP recording images over the entire ice crystal size range. Based on the known principle relating crystal mass and size with a power law (m=α•Dβ), Fontaine et al. (2014) performed extended 3D crystal simulations and thereby demonstrated that it is possible to estimate the value of the exponent β from OAP data, by analyzing the surface-size relationship for the 2D images as a function of time. Leroy et al. (2015) proposed an extended version of this method that produces estimates of β from the analysis of both the surface-size and perimeter-size relationships. Knowing the value of β, α then is deduced from the simultaneous IKP-2 TWC measurements for the entire HAIC/HIWC dataset. The statistical analysis of α and β values for the HAIC/HIWC dataset firstly shows that α is closely linked to β and that this link changes with temperature. From these trends, a generalized parameterization for α is proposed. Finally, the comparison with the initial IKP-2 measurements demonstrates that the method is able to predict TWC values

  16. The effects of ice crystal shape on the evolution of optically thin cirrus clouds in the tropics

    NASA Astrophysics Data System (ADS)

    Russotto, Rick

    Thin 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. Radiative heating of these clouds results in mesoscale circulations that maintain them against sedimentation and redistribute water vapor. In this study, the System for Atmospheric Modeling (SAM) cloud-resolving model is modified in order to calculate the fall speeds, growth rates, and radiative absorption coefficients of non-spherical ice crystals. This extended model is used in simulations that aim to constrain the effects of ice crystal shape on the time evolution of thin cirrus clouds and to identify the physical processes responsible. Model runs assuming spheroidal crystals result in a higher center of cloud ice mass than in the control, spherical case, which is roughly 60% due to a reduction in fall speeds and 40% due to stronger updrafts caused by stronger radiative heating. Other effects of ice crystal shape on the cloud evolution include faster growth and sublimation in supersaturated and subsaturated environments, respectively, and local temperature increases caused by diabatic heating. Effects of ice crystal shape on the total and mean ice crystal masses are within about 10% but do not appear to be entirely negligible. Comparisons of modeled ice crystal size distributions with recent airborne observations of TTL cirrus show that incorporating non-spherical shape has the potential to bring the model closer to observations. It is hoped that this work will eventually lead towards a more realistic physical representation of thin tropical cirrus in global climate models.

  17. Nucleation and structural growth of cluster crystals

    NASA Astrophysics Data System (ADS)

    Leitold, Christian; Dellago, Christoph

    2016-08-01

    We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n = 4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, we study the particle mobility in the supercooled liquid and in the cluster crystal. In the cluster crystal, the motion of individual particles is captured by a simple reaction-diffusion model introduced previously to model the kinetics of hydrogen bonds.

  18. Nucleation and structural growth of cluster crystals.

    PubMed

    Leitold, Christian; Dellago, Christoph

    2016-08-21

    We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n = 4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, we study the particle mobility in the supercooled liquid and in the cluster crystal. In the cluster crystal, the motion of individual particles is captured by a simple reaction-diffusion model introduced previously to model the kinetics of hydrogen bonds. PMID:27544116

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

    USGS Publications Warehouse

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

    1994-01-01

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

  20. Kinetic pathways to the magnetic charge crystal in artificial dipolar spin ice

    NASA Astrophysics Data System (ADS)

    Chioar, I. A.; Canals, B.; Lacour, D.; Hehn, M.; Santos Burgos, B.; Menteş, T. O.; Locatelli, A.; Montaigne, F.; Rougemaille, N.

    2014-12-01

    We experimentally investigate magnetic frustration effects in thermally active artificial kagome spin ice. Starting from a paramagnetic state, the system is cooled down below the Curie temperature of the constituent material. The resulting magnetic configurations show that our arrays are locally brought into the so-called spin ice 2 phase, predicted by at-equilibrium Monte Carlo simulations and characterized by a magnetic charge crystal embedded in a disordered kagome spin lattice. However, by studying our arrays on a larger scale, we find the unambiguous signature of an out-of-equilibrium physics. Comparing our findings with numerical simulations, we interpret the efficiency of our thermalization procedure in terms of kinetic pathways that the system follows upon cooling and which drive the arrays into degenerate low-energy manifolds that are hardly accessible otherwise.

  1. Synthetic polymers enable non-vitreous cellular cryopreservation by reducing ice crystal growth during thawing.

    PubMed

    Deller, Robert C; Vatish, Manu; Mitchell, Daniel A; Gibson, Matthew I

    2014-01-01

    The cryopreservation of cells, tissue and organs is fundamental to modern biotechnology, transplantation medicine and chemical biology. The current state-of-the-art method of cryopreservation is the addition of large amounts of organic solvents such as glycerol or dimethyl sulfoxide, to promote vitrification and prevent ice formation. Here we employ a synthetic, biomimetic, polymer, which is capable of slowing the growth of ice crystals in a manner similar to antifreeze (glyco)proteins to enhance the cryopreservation of sheep and human red blood cells. We find that only 0.1 wt% of the polymer is required to attain significant cell recovery post freezing, compared with over 20 wt% required for solvent-based strategies. These results demonstrate that synthetic antifreeze (glyco)protein mimics could have a crucial role in modern regenerative medicine to improve the storage and distribution of biological material for transplantation.

  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. Crystal structure of canagliflozin hemihydrate

    PubMed Central

    Liu, Kai-Hang; Gu, Jian-Ming; Hu, Xiu-Rong; Tang, Gu-Ping

    2016-01-01

    There are two canagliflozin mol­ecules (A and B) and one water mol­ecule in the asymmetric unit of the title compound, C24H25FO5S·0.5H2O [systematic name: (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluoro­phen­yl)thio­phen-2-yl]meth­yl}-4-methylphen­yl)-6-(hy­droxy­meth­yl)-3,4,5,6-tetra­hydro-2H-pyran-3,4,5-triol hemihydrate]. The dihedral angles between the methyl­benzene and thio­phene rings are 115.7 (4) and 111.7 (4)°, while the dihedral angles between the fluoro­benzene and thio­phene rings are 24.2 (6) and 20.5 (9)° in mol­ecules A and B, respectively. The hydro­pyran ring exhibits a chair conformation in both canagliflozin mol­ecules. In the crystal, the canagliflozin mol­ecules and lattice water mol­ecules are connected via O—H⋯O hydrogen bonds into a three-dimensional supra­molecular architecture. PMID:27308030

  4. Crystal structure of canagliflozin hemihydrate.

    PubMed

    Liu, Kai-Hang; Gu, Jian-Ming; Hu, Xiu-Rong; Tang, Gu-Ping

    2016-05-01

    There are two canagliflozin mol-ecules (A and B) and one water mol-ecule in the asymmetric unit of the title compound, C24H25FO5S·0.5H2O [systematic name: (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluoro-phen-yl)thio-phen-2-yl]meth-yl}-4-methylphen-yl)-6-(hy-droxy-meth-yl)-3,4,5,6-tetra-hydro-2H-pyran-3,4,5-triol hemihydrate]. The dihedral angles between the methyl-benzene and thio-phene rings are 115.7 (4) and 111.7 (4)°, while the dihedral angles between the fluoro-benzene and thio-phene rings are 24.2 (6) and 20.5 (9)° in mol-ecules A and B, respectively. The hydro-pyran ring exhibits a chair conformation in both canagliflozin mol-ecules. In the crystal, the canagliflozin mol-ecules and lattice water mol-ecules are connected via O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture. PMID:27308030

  5. 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

  6. 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

  7. The Effects of Mountain Lee Waves on the Transport of Liquid Propane-Generated Ice Crystals.

    NASA Astrophysics Data System (ADS)

    Reynolds, David W.

    1996-09-01

    A combination of rawinsonde balloon ascent rates, low-elevation aircraft, and ground-based tracer sampling measurements are presented. These data indicate that mountain-induced gravity waves have a significant impact on the transport of ice crystals produced by the release of liquid propane from high-altitude dispensers along the crest of the northern Sierra Nevada in California. Special rawinsonde launches were made just downwind of the main Sierra Nevada crest. Balloon ascent rates show a very well defined mountain lee wave present during most precipitation events. Strong descent to the lee of the Sierra will thus have a detrimental effect on the growth of particles generated on the crest. The tracer SF6 (sulfur hexaflouride) is used to simulate the transport and dispersion of propane-generated ice crystals. Sulfur hexaflouride was released from two propane dispenser sites as a proxy for seeded ice crystals. Aircraft measurements of SF6 indicated that at the normal flight altitudes of 2500 m over the downwind valley and 2800 m over the downwind ridge the aircraft was flying near the top of the plumes. When the aircraft was able to fly below cloud base, near the release altitude of 2200 m, substantial SF6 was observed. The lower portion of the plume was also observed to descend into the valley some 700 m below the release altitude. A simple two-dimensional model is used to determine the impact that these gravity waves have on particle trajectories. Model output is presented for one well-documented seeding case to determine how well such models might be used operationally to predict particle trajectories downwind of the Sierra.

  8. Crystal structure of Arabidopsis thaliana cytokinin dehydrogenase

    SciTech Connect

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

    2008-08-13

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

  9. Crystal structure of the eukaryotic ribosome.

    PubMed

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

    2010-11-26

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

  10. 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.

  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. The double-pyramid structure of dendritic ice growing from supercooled water

    NASA Astrophysics Data System (ADS)

    Braslavsky, I.; Lipson, S. G.

    1999-03-01

    It is known that ice growing freely from supercooled water has a morphological transition at T=-2.7°C, from a flat dendritic structure at higher temperatures to a twelve-sided double-pyramid structure at lower temperatures. The double-pyramid structure, which can be described as two hollow six-sided pyramids joined at their apices, is built from dendrites growing in well-defined growth directions which are noncrystallographic in the planes normal to the basal plane while their projections on the basal plane retain the hexagonal symmetry. Similar structures have been reported in other hexagonal materials. In order to understand the growth mechanism better, we measured the temperature field in the water around the growing crystals by using the temperature dependence of its refractive index. Since this dependence happens to be zero at the freezing point for regular water (H 2O), we use heavy water (D 2O), and achieve considerably greater sensitivity. The free growth experiments performed with heavy ice reveal that their morphological behavior is similar to regular ice, as well as their velocities and the angle between the pyramids as a function of supercooling. The temperature measurements showed that the interaction between the two sides of the pyramid via the temperature field is weak. This leads to the conclusion that the solution for the growth mode of the dendrites should be found in the single dendrite level. Explanations of this phenomenon are discussed in the light of recent advances in dendritic growth theory - in particular the concept of microscopic solvability - combined with the behavior of the surface tension and the kinetic effect as a function of crystallographic orientation. It can be shown that growth in a low symmetry direction leads to an asymmetrically growing crystal and to asymmetry in the observed temperature field.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Crystal structure of methane oxidation enzyme determined

    SciTech Connect

    Baum, R.

    1994-01-10

    A team of chemists has determined to 2.2-[angstrom] resolution the crystal structure of the hydroxylase protein of methane monooxygenase, the enzyme system responsible for the biological oxidation of methane. The hydroxylase, at a molecular weight of 251,000 daltons, if by far the largest component of methane monooxygenase. Although the crystal structure of the hydroxylase did not reveal any startling surprises about the enzyme-many features of the hydroxylase had been inferred previously from modeling and spectroscopic studies -- obtaining it is a significant achievement. For one thing, the crystal structure unambiguously confirms aspects of the enzyme structure that been at least somewhat speculative. The three-dimensional structure of the enzyme, the chemist say, also provides important insight into biological methane oxidation, including how methane, a relatively inert gas, might diffuse to and bind near the active site of the enzyme. The structure points to particular amino acid residues that are likely to participate in catalysis, and clarifies the structure of the dinuclear iron core of the enzyme.

  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. 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.

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

    PubMed

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

    2015-12-18

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

  2. 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.

  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. A new quantitative method to measure activity of ice structuring proteins using differential scanning calorimetry.

    PubMed

    Hassa-Roudsari, Majid; Goff, H Douglas

    2012-01-01

    There are very few quantitative assays to measure the activity of antifreeze proteins (AFPs, or Ice Structuring Proteins, ISPs) and these can be prone to various inaccuracies and inconsistencies. Some methods rely only on unassisted visual assessment. When microscopy is used to measure ice crystal size, it is critical that standardized procedures be adopted, especially when image analysis software is used to quantify sizes. Differential Scanning Calorimetry (DSC) has been used to measure the thermal hysteresis activity (TH) of AFPs. In this study, DSC was used isothermally to measure enthalpic changes associated with structural rearrangements as a function of time. Differences in slopes of isothermal heat flow vs. time between winter wheat ISP or AFP type I containing samples, and those without ISP or AFP type I were demonstrated. ISP or AFP type I containing samples had significantly higher slopes compared to those without ISP or AFP type I. Samples with higher concentration of ISP or AFP type I showed higher slope values during the first hour and took up to 3 hr to attain equilibrium. Differences were attributed to activity of the proteins at the ice interface. Proteinaceous activity of ISPs or AFP type I was confirmed by loss of activity after treatment with protease.

  5. Terrestrial Ice Sheets: Studies of Climate History, Internal Structure, Surface, and Bedrock

    NASA Astrophysics Data System (ADS)

    Thorsteinsson, Th.; Kipfstuhl, J.; Nixdorf, U.; Oerter, H.; Miller, H.; Fritsche, D.; Jung-Rothenhaeusler, F.; Mayer, C.; Schwager, M.; Wilhelms, F.; Steinhage, D.; Goektas, F.

    1998-01-01

    Recently drilled deep ice cores from Central Greenland (GRIP and GISP2) provide the most detailed results available on climatic variation in the northern hemisphere during the last 100,000 years, a period that includes the Holocene (0-11.5 ka) and most of the Wisconsin glacial period. Summer-winter variation in various physical and chemical properties of polar ice allows dating of ice cores by annual layer counting. Several such methods are currently being employed on an ice core drilled by the new North Greenland Ice Core Project (NGRIP), which is aimed at extending the Greenland ice palaeoclimatic record through the last interglacial, the Eemian. Two examples will be presented: (1) visual and photographic studies of seasonal variation in stratigraphic layering, crystal size, air bubble and clathrate concentration, and (2) studies of electric stratigraphy, using the method of dielectric profiling (DEP). This method records the AC conductivity of ice cores, which is negatively correlated with the concentration of airborne dust in the ice but positively correlated with volcanic and marine aerosols. Comprehensive surface traverse programs, which include shallow coring and ice velocity measurements, have recently been carried out by the Alfred Wegener Institute in previously little-investigated regions of Greenland and Antarctica. Serving partly as reconnaissance prior to deep drilling projects, such studies also help to reduce considerable uncertainties in the mass balance of the two large polar ice sheets and thus in their estimated response to climate change. Main results of a recent traverse in North Greenland include the following: (1) A new map of the accumulation distribution on the ice sheet indicates a large low-accumulation region in Northeast-Greenland; (2) North Greenland records show significantly greater climatic variability during the last 500 yr than corresponding records from the southern part of the ice sheet; and (3) data on variation in

  6. 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.

  7. 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.

  8. 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.

  9. Crystal structure refinement from electron diffraction data

    SciTech Connect

    Dudka, A. P. Avilov, A. S.; Lepeshov, G. G.

    2008-05-15

    A procedure of crystal structure refinement from electron diffraction data is described. The electron diffraction data on polycrystalline films are processed taking into account possible overlap of reflections and two-beam interaction. The diffraction from individual single crystals in an electron microscope equipped with a precession attachment is described using the Bloch-wave method, which takes into account multibeam scattering, and a special approach taking into consideration the specific features of the diffraction geometry in the precession technique. Investigations were performed on LiF, NaF, CaF{sub 2}, and Si crystals. A method for reducing experimental data, which allows joint electron and X-ray diffraction study, is proposed.

  10. A first test of the hypothesis of biogenic magnetite-based heterogeneous ice-crystal nucleation in cryopreservation.

    PubMed

    Kobayashi, Atsuko; Golash, Harry N; Kirschvink, Joseph L

    2016-06-01

    An outstanding biophysical puzzle is focused on the apparent ability of weak, extremely low-frequency oscillating magnetic fields to enhance cryopreservation of many biological tissues. A recent theory holds that these weak magnetic fields could be inhibiting ice-crystal nucleation on the nanocrystals of biological magnetite (Fe3O4, an inverse cubic spinel) that are present in many plant and animal tissues by causing them to oscillate. In this theory, magnetically-induced mechanical oscillations disrupt the ability of water molecules to nucleate on the surface of the magnetite nanocrystals. However, the ability of the magnetite crystal lattice to serve as a template for heterogeneous ice crystal nucleation is as yet unknown, particularly for particles in the 10-100 nm size range. Here we report that the addition of trace-amounts of finely-dispersed magnetite into ultrapure water samples reduces strongly the incidence of supercooling, as measured in experiments conducted using a controlled freezing apparatus with multiple thermocouples. SQUID magnetometry was used to quantify nanogram levels of magnetite in the water samples. We also report a relationship between the volume change of ice, and the degree of supercooling, that may indicate lower degassing during the crystallization of supercooled water. In addition to supporting the role of ice-crystal nucleation by biogenic magnetite in many tissues, magnetite nanocrystals could provide inexpensive, non-toxic, and non-pathogenic ice nucleating agents needed in a variety of industrial processes, as well as influencing the dynamics of ice crystal nucleation in many natural environments. PMID:27087604

  11. A first test of the hypothesis of biogenic magnetite-based heterogeneous ice-crystal nucleation in cryopreservation.

    PubMed

    Kobayashi, Atsuko; Golash, Harry N; Kirschvink, Joseph L

    2016-06-01

    An outstanding biophysical puzzle is focused on the apparent ability of weak, extremely low-frequency oscillating magnetic fields to enhance cryopreservation of many biological tissues. A recent theory holds that these weak magnetic fields could be inhibiting ice-crystal nucleation on the nanocrystals of biological magnetite (Fe3O4, an inverse cubic spinel) that are present in many plant and animal tissues by causing them to oscillate. In this theory, magnetically-induced mechanical oscillations disrupt the ability of water molecules to nucleate on the surface of the magnetite nanocrystals. However, the ability of the magnetite crystal lattice to serve as a template for heterogeneous ice crystal nucleation is as yet unknown, particularly for particles in the 10-100 nm size range. Here we report that the addition of trace-amounts of finely-dispersed magnetite into ultrapure water samples reduces strongly the incidence of supercooling, as measured in experiments conducted using a controlled freezing apparatus with multiple thermocouples. SQUID magnetometry was used to quantify nanogram levels of magnetite in the water samples. We also report a relationship between the volume change of ice, and the degree of supercooling, that may indicate lower degassing during the crystallization of supercooled water. In addition to supporting the role of ice-crystal nucleation by biogenic magnetite in many tissues, magnetite nanocrystals could provide inexpensive, non-toxic, and non-pathogenic ice nucleating agents needed in a variety of industrial processes, as well as influencing the dynamics of ice crystal nucleation in many natural environments.

  12. 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

  13. 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

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

    PubMed

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

    2016-03-19

    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.

  15. 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.

  16. 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).

  17. 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.

  18. Persistent hydrogen bonding in polymorphic crystal structures.

    PubMed

    Galek, Peter T A; Fábián, László; Allen, Frank H

    2009-02-01

    The significance of hydrogen bonding and its variability in polymorphic crystal structures is explored using new automated structural analysis methods. The concept of a chemically equivalent hydrogen bond is defined, which may be identified in pairs of structures, revealing those types of bonds that may persist, or not, in moving from one polymorphic form to another. Their frequency and nature are investigated in 882 polymorphic structures from the Cambridge Structural Database. A new method to compare conformations of equivalent molecules is introduced and applied to derive distinct subsets of conformational and packing polymorphs. The roles of chemical functionality and hydrogen-bond geometry in persistent interactions are systematically explored. Detailed structural comparisons reveal a large majority of persistent hydrogen bonds that are energetically crucial to structural stability. PMID:19155561

  19. The crystal structure of methane phase III

    NASA Astrophysics Data System (ADS)

    Neumann, Marcus A.; Press, Werner; Nöldeke, Christian; Asmussen, Bernd; Prager, Michael; Ibberson, Richard M.

    2003-07-01

    Methane is the simplest organic molecule, and like many supposedly simple molecular materials it has a rich phase diagram. While crystal structures could be determined for two of the solid phases, that of the low temperature phase III remained unsolved. Using high-resolution neutron powder diffraction and a direct-space Monte Carlo simulated annealing approach, this fundamental structure has now finally been solved. It is orthorhombic with space group Cmca, and 16 molecules in the unit cell. The structure is closely related to that of phase II, yet is no subgroup of it.

  20. 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

  1. Novel Approach for Clustering Zeolite Crystal Structures.

    PubMed

    Lach-Hab, M; Yang, S; Vaisman, I I; Blaisten-Barojas, E

    2010-04-12

    Informatics approaches play an increasingly important role in the design of new materials. In this work we apply unsupervised statistical learning for identifying four framework-type attractors of zeolite crystals in which several of the zeolite framework types are grouped together. Zeolites belonging to these super-classes manifest important topological, chemical and physical similarities. The zeolites form clusters located around four core framework types: LTA, FAU, MFI and the combination of EDI, HEU, LTL and LAU. Clustering is performed in a 9-dimensional space of attributes that reflect topological, chemical and physical properties for each individual zeolite crystalline structure. The implemented machine learning approach relies on hierarchical top-down clustering approach and the expectation maximization method. The model is trained and tested on ten partially independent data sets from the FIZ/NIST Inorganic Crystal Structure Database.

  2. 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.

  3. 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

  4. Crystal structure of an archaeal actin homolog.

    PubMed

    Roeben, Annette; Kofler, Christine; Nagy, István; Nickell, Stephan; Hartl, F Ulrich; Bracher, Andreas

    2006-04-21

    Prokaryotic homologs of the eukaryotic structural protein actin, such as MreB and ParM, have been implicated in determination of bacterial cell shape, and in the segregation of genomic and plasmid DNA. In contrast to these bacterial actin homologs, little is known about the archaeal counterparts. As a first step, we expressed a predicted actin homolog of the thermophilic archaeon Thermoplasma acidophilum, Ta0583, and determined its crystal structure at 2.1A resolution. Ta0583 is expressed as a soluble protein in T.acidophilum and is an active ATPase at physiological temperature. In vitro, Ta0583 forms sheets with spacings resembling the crystal lattice, indicating an inherent propensity to form filamentous structures. The fold of Ta0583 contains the core structure of actin and clearly belongs to the actin/Hsp70 superfamily of ATPases. Ta0583 is approximately equidistant from actin and MreB on the structural level, and combines features from both eubacterial actin homologs, MreB and ParM. The structure of Ta0583 co-crystallized with ADP indicates that the nucleotide binds at the interface between the subdomains of Ta0583 in a manner similar to that of actin. However, the conformation of the nucleotide observed in complex with Ta0583 clearly differs from that in complex with actin, but closely resembles the conformation of ParM-bound nucleotide. On the basis of sequence and structural homology, we suggest that Ta0583 derives from a ParM-like actin homolog that was once encoded by a plasmid and was transferred into a common ancestor of Thermoplasma and Ferroplasma. Intriguingly, both genera are characterized by the lack of a cell wall, and therefore Ta0583 could have a function in cellular organization.

  5. The effect of proton disorder on the structure of ice-Ih: a theoretical study.

    PubMed

    Kuo, Jer-Lai; Klein, Michael L; Kuhs, Werner F

    2005-10-01

    A precise and accurate measurement of the crystal structure of ice-Ih is hindered by its disordered H-bond network. In this work, we carried out first-principle calculations to study the effects of H-bond topology on the structure of ice-Ih with emphasis on the molecular geometry of water and the distortion in oxygen lattice. An analytic algorithm based on group and graph theory is employed to enumerate all possible configurations in a given unit cell and to select a set of structures for detailed examinations. In total we have studied more than 60 ice-Ih structures in a hexagonal unit cell of 48 water molecules by quantum-chemical methods and found a significant amount of static distortion in the oxygen positions from their crystallographic positions which is in good agreements with highly significant higher-order terms obtained from both x-ray and neutron-diffraction data. Much debated structural information such as H-O-H angle and O-H bond length is found to be 106.34+/-0.36 degrees and 0.9997+/-0.0008 A, compared to experimental value of 106.6+/-1.5 degrees and 0.986+/-0.005 A. Detailed benchmarking calculations were carried out to gauge the influence of using different exchange and correlation functionals, pseudopotentials, and unit-cell sizes. Our results have proven that first-principle methods are useful complementary tools to experiments, especially for cases in which experimental accuracy is limited by intrinsic orientational disorder.

  6. The effect of roughness model on scattering properties of ice crystals

    NASA Astrophysics Data System (ADS)

    Geogdzhayev, Igor; van Diedenhoven, Bastiaan

    2016-07-01

    We compare stochastic models of microscale surface roughness assuming uniform and Weibull distributions of crystal facet tilt angles to calculate scattering by roughened hexagonal ice crystals using the geometric optics (GO) approximation. Both distributions are determined by similar roughness parameters, while the Weibull model depends on the additional shape parameter. Calculations were performed for two visible wavelengths (864 nm and 410 nm) for roughness values between 0.2 and 0.7 and Weibull shape parameters between 0 and 1.0 for crystals with aspect ratios of 0.21, 1 and 4.8. For this range of parameters we find that, for a given roughness level, varying the Weibull shape parameter can change the asymmetry parameter by up to about 0.05. The largest effect of the shape parameter variation on the phase function is found in the backscattering region, while the degree of linear polarization is most affected at the side-scattering angles. For high roughness, scattering properties calculated using the uniform and Weibull models are in relatively close agreement for a given roughness parameter, especially when a Weibull shape parameter of 0.75 is used. For smaller roughness values, a shape parameter close to unity provides a better agreement. Notable differences are observed in the phase function over the scattering angle range from 5° to 20°, where the uniform roughness model produces a plateau while the Weibull model does not.

  7. 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.

  8. Ice Crystal Size Retrivals using High Spectral Resolution Lidar and Millimeter Wave Radar Data.

    NASA Astrophysics Data System (ADS)

    Eloranta, E.

    2006-12-01

    The University of Wisconsin Arctic High Spectral Resolution Lidar(AHSRL) and the NOAA 8.6 mm radar(MMCR) are collecting data in the high Arctic at Eureka, Canada (79.94N, 85.56W). They have been deployed as part of the NOAA SEARCH program since August of 2005. AHSRL and MMCR data are distributed at http://lidar.ssec.wisc.edu. This web site allows visual scans of available data, composition of custom images and downloading of data in netCDF format. NetCDF files are prepared on demand with user specified time and altitude limits along with user specified altitude and time averaging. The ratio of the lidar and radar cross sections data can be used to measure the size of cloud and precipitation particles. Unfortunately, attenuation and multiple scattering make it difficult to measure the lidar scattering cross section. Standard lidar data does not contain sufficient information to correct for attenuation without the use of poorly supported assumptions. The multiply scattered signal is dependent on particle size and is often comparable in magnitude to the singly scattered signal. As a result, past lidar-radar particle size measurements have required use of complicated iterative solutions (Donovan and Lammeren, JGR, 106, Nov 16, 2001, pp 27425). These problems are avoided when using AHSRL data. It provides robustly calibrated measurements of the backscatter cross section. Furthermore, the lidar receiver accepts light from a very small angular field-of- view greatly limiting multiply scattered signals. Lidar-radar size retrievals provide the effective diameter prime. This quantity is proportional to the mass of the average particle squared divided by the projected area of the average particle. Conversion of effective diameter prime to commonly derived size measures such as effective diameter, mean diameter, median mass diameter, or mean mass of the ice particles requires knowledge of the ice crystal shape. Mitchell(J. Atmos. Sci V29 p153-163) and others have presented

  9. 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.

  10. 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

  11. 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.

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

    ERIC Educational Resources Information Center

    Chesick, John P.

    1989-01-01

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

  13. Light scattering by ice crystals of cirrus clouds: comparison of the physical optics methods

    NASA Astrophysics Data System (ADS)

    Konoshonkin, Alexander V.; Kustova, Natalia V.; Borovoi, Anatoli G.; Grynko, Yevgen; Förstner, Jens

    2016-10-01

    The physical optics approximations are derived from the Maxwell equations. The scattered field equations by Kirchhoff, Stratton-Chu, Kottler and Franz are compared and discussed. It is shown that in the case of faceted particles, these equations reduce to a sum of the diffraction integrals, where every diffraction integral is associated with one plane-parallel optical beam leaving a particle facet. In the far zone, these diffraction integrals correspond to the Fraunhofer diffraction patterns. The paper discusses the E-, M- and (E, M)-diffraction theories as applied to ice crystals of cirrus clouds. The comparison to the exact solution obtained by the discontinuous Galerkin time domain method shows that the Kirchhoff diffraction theory is preferable.

  14. 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.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    Pommereau, J.

    2008-12-01

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

  17. Determining crystal structures through crowdsourcing and coursework

    NASA Astrophysics Data System (ADS)

    2016-09-01

    We show here that computer game players can build high-quality crystal structures. Introduction of a new feature into the computer game Foldit allows players to build and real-space refine structures into electron density maps. To assess the usefulness of this feature, we held a crystallographic model-building competition between trained crystallographers, undergraduate students, Foldit players and automatic model-building algorithms. After removal of disordered residues, a team of Foldit players achieved the most accurate structure. Analysing the target protein of the competition, YPL067C, uncovered a new family of histidine triad proteins apparently involved in the prevention of amyloid toxicity. From this study, we conclude that crystallographers can utilize crowdsourcing to interpret electron density information and to produce structure solutions of the highest quality.

  18. Determining crystal structures through crowdsourcing and coursework.

    PubMed

    Horowitz, Scott; Koepnick, Brian; Martin, Raoul; Tymieniecki, Agnes; Winburn, Amanda A; Cooper, Seth; Flatten, Jeff; Rogawski, David S; Koropatkin, Nicole M; Hailu, Tsinatkeab T; Jain, Neha; Koldewey, Philipp; Ahlstrom, Logan S; Chapman, Matthew R; Sikkema, Andrew P; Skiba, Meredith A; Maloney, Finn P; Beinlich, Felix R M; Popović, Zoran; Baker, David; Khatib, Firas; Bardwell, James C A

    2016-09-16

    We show here that computer game players can build high-quality crystal structures. Introduction of a new feature into the computer game Foldit allows players to build and real-space refine structures into electron density maps. To assess the usefulness of this feature, we held a crystallographic model-building competition between trained crystallographers, undergraduate students, Foldit players and automatic model-building algorithms. After removal of disordered residues, a team of Foldit players achieved the most accurate structure. Analysing the target protein of the competition, YPL067C, uncovered a new family of histidine triad proteins apparently involved in the prevention of amyloid toxicity. From this study, we conclude that crystallographers can utilize crowdsourcing to interpret electron density information and to produce structure solutions of the highest quality.

  19. Determining crystal structures through crowdsourcing and coursework.

    PubMed

    Horowitz, Scott; Koepnick, Brian; Martin, Raoul; Tymieniecki, Agnes; Winburn, Amanda A; Cooper, Seth; Flatten, Jeff; Rogawski, David S; Koropatkin, Nicole M; Hailu, Tsinatkeab T; Jain, Neha; Koldewey, Philipp; Ahlstrom, Logan S; Chapman, Matthew R; Sikkema, Andrew P; Skiba, Meredith A; Maloney, Finn P; Beinlich, Felix R M; Popović, Zoran; Baker, David; Khatib, Firas; Bardwell, James C A

    2016-01-01

    We show here that computer game players can build high-quality crystal structures. Introduction of a new feature into the computer game Foldit allows players to build and real-space refine structures into electron density maps. To assess the usefulness of this feature, we held a crystallographic model-building competition between trained crystallographers, undergraduate students, Foldit players and automatic model-building algorithms. After removal of disordered residues, a team of Foldit players achieved the most accurate structure. Analysing the target protein of the competition, YPL067C, uncovered a new family of histidine triad proteins apparently involved in the prevention of amyloid toxicity. From this study, we conclude that crystallographers can utilize crowdsourcing to interpret electron density information and to produce structure solutions of the highest quality. PMID:27633552

  20. Determining crystal structures through crowdsourcing and coursework

    PubMed Central

    Horowitz, Scott; Koepnick, Brian; Martin, Raoul; Tymieniecki, Agnes; Winburn, Amanda A.; Cooper, Seth; Flatten, Jeff; Rogawski, David S.; Koropatkin, Nicole M.; Hailu, Tsinatkeab T.; Jain, Neha; Koldewey, Philipp; Ahlstrom, Logan S.; Chapman, Matthew R.; Sikkema, Andrew P.; Skiba, Meredith A.; Maloney, Finn P.; Beinlich, Felix R. M.; Caglar, Ahmet; Coral, Alan; Jensen, Alice Elizabeth; Lubow, Allen; Boitano, Amanda; Lisle, Amy Elizabeth; Maxwell, Andrew T.; Failer, Barb; Kaszubowski, Bartosz; Hrytsiv, Bohdan; Vincenzo, Brancaccio; de Melo Cruz, Breno Renan; McManus, Brian Joseph; Kestemont, Bruno; Vardeman, Carl; Comisky, Casey; Neilson, Catherine; Landers, Catherine R.; Ince, Christopher; Buske, Daniel Jon; Totonjian, Daniel; Copeland, David Marshall; Murray, David; Jagieła, Dawid; Janz, Dietmar; Wheeler, Douglas C.; Cali, Elie; Croze, Emmanuel; Rezae, Farah; Martin, Floyd Orville; Beecher, Gil; de Jong, Guido Alexander; Ykman, Guy; Feldmann, Harald; Chan, Hugo Paul Perez; Kovanecz, Istvan; Vasilchenko, Ivan; Connellan, James C.; Borman, Jami Lynne; Norrgard, Jane; Kanfer, Jebbie; Canfield, Jeffrey M.; Slone, Jesse David; Oh, Jimmy; Mitchell, Joanne; Bishop, John; Kroeger, John Douglas; Schinkler, Jonas; McLaughlin, Joseph; Brownlee, June M.; Bell, Justin; Fellbaum, Karl Willem; Harper, Kathleen; Abbey, Kirk J.; Isaksson, Lennart E.; Wei, Linda; Cummins, Lisa N.; Miller, Lori Anne; Bain, Lyn; Carpenter, Lynn; Desnouck, Maarten; Sharma, Manasa G.; Belcastro, Marcus; Szew, Martin; Szew, Martin; Britton, Matthew; Gaebel, Matthias; Power, Max; Cassidy, Michael; Pfützenreuter, Michael; Minett, Michele; Wesselingh, Michiel; Yi, Minjune; Cameron, Neil Haydn Tormey; Bolibruch, Nicholas I.; Benevides, Noah; Kathleen Kerr, Norah; Barlow, Nova; Crevits, Nykole Krystyne; Dunn, Paul; Roque, Paulo Sergio Silveira Belo Nascimento; Riber, Peter; Pikkanen, Petri; Shehzad, Raafay; Viosca, Randy; James Fraser, Robert; Leduc, Robert; Madala, Roman; Shnider, Scott; de Boisblanc, Sharon; Butkovich, Slava; Bliven, Spencer; Hettler, Stephen; Telehany, Stephen; Schwegmann, Steven A.; Parkes, Steven; Kleinfelter, Susan C.; Michael Holst, Sven; van der Laan, T. J. A.; Bausewein, Thomas; Simon, Vera; Pulley, Warwick; Hull, William; Kim, Annes Yukyung; Lawton, Alexis; Ruesch, Amanda; Sundar, Anjali; Lawrence, Anna-Lisa; Afrin, Antara; Maheshwer, Bhargavi; Turfe, Bilal; Huebner, Christian; Killeen, Courtney Elizabeth; Antebi-Lerrman, Dalia; Luan, Danny; Wolfe, Derek; Pham, Duc; Michewicz, Elaina; Hull, Elizabeth; Pardington, Emily; Galal, Galal Osama; Sun, Grace; Chen, Grace; Anderson, Halie E.; Chang, Jane; Hewlett, Jeffrey Thomas; Sterbenz, Jennifer; Lim, Jiho; Morof, Joshua; Lee, Junho; Inn, Juyoung Samuel; Hahm, Kaitlin; Roth, Kaitlin; Nair, Karun; Markin, Katherine; Schramm, Katie; Toni Eid, Kevin; Gam, Kristina; Murphy, Lisha; Yuan, Lucy; Kana, Lulia; Daboul, Lynn; Shammas, Mario Karam; Chason, Max; Sinan, Moaz; Andrew Tooley, Nicholas; Korakavi, Nisha; Comer, Patrick; Magur, Pragya; Savliwala, Quresh; Davison, Reid Michael; Sankaran, Roshun Rajiv; Lewe, Sam; Tamkus, Saule; Chen, Shirley; Harvey, Sho; Hwang, Sin Ye; Vatsia, Sohrab; Withrow, Stefan; Luther, Tahra K; Manett, Taylor; Johnson, Thomas James; Ryan Brash, Timothy; Kuhlman, Wyatt; Park, Yeonjung; Popović, Zoran; Baker, David; Khatib, Firas; Bardwell, James C. A.

    2016-01-01

    We show here that computer game players can build high-quality crystal structures. Introduction of a new feature into the computer game Foldit allows players to build and real-space refine structures into electron density maps. To assess the usefulness of this feature, we held a crystallographic model-building competition between trained crystallographers, undergraduate students, Foldit players and automatic model-building algorithms. After removal of disordered residues, a team of Foldit players achieved the most accurate structure. Analysing the target protein of the competition, YPL067C, uncovered a new family of histidine triad proteins apparently involved in the prevention of amyloid toxicity. From this study, we conclude that crystallographers can utilize crowdsourcing to interpret electron density information and to produce structure solutions of the highest quality. PMID:27633552

  1. Response of salt structures to ice-sheet loading: implications for ice-marginal and subglacial processes

    NASA Astrophysics Data System (ADS)

    Lang, Jörg; Hampel, Andrea; Brandes, Christian; Winsemann, Jutta

    2014-10-01

    During the past decades the effect of glacioisostatic adjustment has received much attention. However, the response of salt structures to ice-sheet loading and unloading is poorly understood. Our study aims to test conceptual models of the interaction between ice-sheet loading and salt structures by finite-element modelling. The results are discussed with regard to their implications for ice-marginal and subglacial processes. Our models consist of 2D plane-strain cross-sections, which represent simplified geological cross-sections from the Central European Basin System. The model layers represent (i) sedimentary rocks of elastoplastic rheology, (ii) a viscoelastic diapir and layer of salt and (iii) an elastoplastic basement. On top of the model, a temporarily variable pressure simulates the advance and retreat of an ice sheet. The durations of the individual loading phases were defined to resemble the durations of the Pleistocene ice advances in northern central Europe. The geometry and rheology of the model layers and the magnitude, spatial distribution and timing of ice-sheet loading were systematically varied to detect the controlling factors. All simulations indicate that salt structures respond to ice-sheet loading. An ice advance towards the diapir causes salt flow from the source layer below the ice sheet towards the diapir, resulting in an uplift of up to +4 m. The diapir continues to rise as long as the load is applied to the source layer but not to the crest of the diapir. When the diapir is transgressed by the ice sheet the diapir is pushed down (up to -36 m) as long as load is applied to the crest of the diapir. During and after ice unloading large parts of the displacement are compensated by a reversal of the salt flow. Plastic deformation of the overburden is restricted to the area immediately above the salt diapir. The displacements after unloading range between -3.1 and +2.7 m. Larger displacements are observed in models with deep-rooted diapirs

  2. 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.

  3. Development of self-actuated in-flight de-icing technology utilizing smart structure concepts

    NASA Astrophysics Data System (ADS)

    Venna, Suresh Venkata

    Ice accretions on aircraft components have severe and sometimes fatal effects. Aircraft wings are one of the many components that are prone to severe ice accretions. The de-icing/anti-icing technologies currently being used are bulky, cover the airfoil surface and consume high energies. Addressing these drawbacks, the current study proposes a novel de-icing technique utilizing lightweight piezoelectric actuators to break the weak adhesive shear bond of ice-substrate interface. When structures are excited at their natural frequencies, high shear stresses are generated in certain modes. These high shear stresses can break the weak adhesive shear bond of ice-substrate interface with minimal energy inputs. The proposed de-icing technique is applied on two structures, (1) a laminated composite cantilever rectangular plate, and (2) a prototyped aluminum leading edge. Theoretical investigations are fist performed to determine the frequencies and modes in which high amount of shear stresses and debonding of the ice layers occurred. After determining optimal actuator locations, experimental set-up is designed and structures are built. Experimentation of the proposed technique is carried out inside a freezer by forming two types of ice layers on the surfaces and exciting the structures to the determined frequencies. Testing is carried out at five different temperatures ranging from 5°F to 25°F. De-icing is observed for both types of ice layers in both the structures. While the average de-icing times increased with decreased temperatures, longer de-icing times are noted for the aluminum leading edge. In addition, energy requirements of the piezoelectric actuators to actuate an adaptive composite wing structure are evaluated and a composite material is designed to improve deicing of the leading edge.

  4. 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.

  5. Biological Diversity Comprising Microbial Structures of Antarctic Ice Covered Lakes

    NASA Astrophysics Data System (ADS)

    Matys, E. D.

    2015-12-01

    Analysis of microbial membrane lipids is a rapid and non-selective method for evaluating the composition of microbial communities. To fully realise the diagnostic potential of these lipids, we must first understand their structural diversity, biological sources, physiological functions, and pathways of preservation. Particular environmental conditions likely prompt the production of different membrane lipid structures. Antarctica's McMurdo Dry Valleys host numerous ice-covered lakes with sharp chemical gradients that vary in illumination, geochemical structure, and benthic mat morphologies that are structured by nutrient availability and water chemistry. The lipid contents of these benthic mats have not received extensive study nor have the communities yet been thoroughly characterized. Accordingly, a combination of lipid biomarker and nucleic acid sequence data provides the means of assessing species diversity and environmental controls on the composition and diversity of membrane lipid assemblages. We investigated the richness and diversity of benthic microbial communities and accumulated organic matter in Lake Vanda of the McMurdo Dry Valleys. We have identified diverse glycolipids, aminolipids, and phospholipids in addition to many unknown compounds that may be specific to these particular environments. Light levels fluctuate seasonally, favoring low-light-tolerant cyanobacteria and specific lipid assemblages. Adaptations to nutrient limitations are reflected in contrasting intact polar lipid assemblages. For example, under P-limiting conditions, phospholipids are subsidiary to membrane-forming lipids that do not contain P (i.e. ornithine, betaine, and sulfolipids). The bacteriohopanepolyol (BHP) composition is dominated by bacteriohopanetetrol (BHT), a ubiquitous BHP, and 2-methylhopanoids. The relative abundance of 2-methylhopanoids is unprecedented and may reflect the unusual seasonal light regime of this polar environment. By establishing correlations

  6. Cooling rate and ice-crystal measurement in biological specimens plunged into liquid ethane, propane, and Freon 22.

    PubMed

    Ryan, K P; Bald, W B; Neumann, K; Simonsberger, P; Purse, D H; Nicholson, D N

    1990-06-01

    Specimens sandwiched between copper planchettes were plunged up to a depth of 430 mm into coolants used for cryofixation. Hydrated gelatin containing a miniature thermocouple was used to mimic the behaviour of tissue during freezing. Gelatin and red blood cells were used for ice-crystal analysis. Ethane produced the fastest cooling rates and the smallest ice-crystal profiles, and Freon 22 produced the slowest cooling rates and the largest crystal profiles. Smaller crystal profiles were often seen in the centre of the specimens than in subsurface zones. The results show that ethane, rather than propane, should be used for freezing metal-sandwiched freeze-fracture specimens by the plunging method, and probably also in the jet-cooling method. They further suggest that good cryofixation could occur at the centre of thin specimens rather than only at their surfaces. Comparison between theoretical and experimental ice-crystal sizes was satisfactory, indicating that where the experimental parameters can be defined then realistic predictions can be made regarding cryofixation results.

  7. 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.

  8. The structure and dynamics of amorphous and crystalline phases of ice

    SciTech Connect

    Klug, D. D.; Tse, J. S.; Tulk, C. A.; Svensson, E. C.; Swainson, I.; Loong, C.-K.

    2000-07-14

    The structures of the high and low-density amorphous phases of ice are studied using several techniques. The diffraction patterns of high and low density amorphous ice are analyzed using reverse Monte Carlo methods and compared with molecular dynamics simulations of these phases. The spectra of crystalline and amorphous phases of ice obtained by Raman and incoherent inelastic neutron scattering are analyzed to yield structural features for comparison with the results of molecular dynamics and Reverse Monte Carlo analysis. The structural details obtained indicate that there are significant differences between the structure of liquid water and the amorphous phases of ice.

  9. 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.

  10. The peculiarities of water crystallization and ice melting processes in the roots of one-year plants (Plantago major L.).

    PubMed

    Bakradze, N; Kiziria, E; Sokhadze, V; Gogichaishvili, S

    2008-01-01

    Results are presented of a water phase transition study in plantain (Plantago major L.) roots, which were used as a model system to research the peculiarities of water crystallization and ice melting processes in complex heterogeneous biological systems. It was confirmed that water in such systems is crystallized in two clearly distinguished temperature ranges: -10 to -25 degree capital ES, Cyrillic and -25 to -45 degree capital ES, Cyrillic. These water fractions are conditionally attributed to extracellular (-10 to -25 degree capital ES, Cyrillic) and intracellular (-25 to -45 degree capital ES, Cyrillic) solutions. A possible explanation is given for such significant supercooling of the intracellular solution. The values of osmotic pressures of extra- and intracellular solutions were determined according to ice melting curves. It is noted that the intracellular solution, which crystallized at lower temperatures, had a lower osmotic pressure.

  11. 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

  12. 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.

  13. 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

  14. Flowing crystals: nonequilibrium structure of foam.

    PubMed

    Garstecki, Piotr; Whitesides, George M

    2006-07-14

    Bubbles pushed through a quasi-two-dimensional channel self-organize into a variety of periodic lattices. The structures of these lattices correspond to local minima of the interfacial energy. The "flowing crystals" are long-lived metastable states, a small subset of possible local minima of confined quasi-two-dimensional foams [P. Garstecki and G. M. Whitesides, Phys. Rev. E 73, 031603 (2006)10.1103/PhysRevE.73.031603]. Experimental results suggest that the choice of the structures that we observe is dictated by the dynamic stability of the cyclic processes of their formation. Thus, the dynamic system that we report provides a unique example of nonequilibrium self-organization that results in structures that correspond to local minima of the relevant energy functional. PMID:16907453

  15. 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.

  16. 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

  17. 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.

  18. Crystal structure of 2,2-dimethyl succinic acid.

    PubMed

    Ozcan, Yusuf; Osmanoğlu, Semsettin; Ide, Semra

    2003-08-01

    The title compound crystallizes triclinically in space group of P1. The C2-COOH and C3-COOH molecular groups are planar. The crystal structure is stabilized by the formation of intermolecular (O-HO) hydrogen bonds. PMID:12945684

  19. 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.

  20. 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

  1. A model of the three-dimensional structure of ice nucleation proteins.

    PubMed

    Kajava, A V; Lindow, S E

    1993-08-01

    Bacterial ice-nucleation proteins are among the most active natural ice nucleants and can reduce the supercooling point of water in plants, thereby reducing the ability of sensitive plants to avoid damaging ice formation. We describe a structural model for bacterial ice-nucleation proteins based on molecular modelling. This model predicts a largely planar extended molecule, with one side serving as a template for orienting water into an ice lattice and the other side interacting with the membrane. The model also predicts that single molecules can form aggregates of unlimited size by interdigitation. PMID:8355267

  2. Ice VII from aqueous salt solutions: From a glass to a crystal with broken H-bonds.

    PubMed

    Klotz, S; Komatsu, K; Pietrucci, F; Kagi, H; Ludl, A-A; Machida, S; Hattori, T; Sano-Furukawa, A; Bove, L E

    2016-01-01

    It has been known for decades that certain aqueous salt solutions of LiCl and LiBr readily form glasses when cooled to below ≈160 K. This fact has recently been exploited to produce a « salty » high-pressure ice form: When the glass is compressed at low temperatures to pressures higher than 4 GPa and subsequently warmed, it crystallizes into ice VII with the ionic species trapped inside the ice lattice. Here we report the extreme limit of salt incorporation into ice VII, using high pressure neutron diffraction and molecular dynamics simulations. We show that high-pressure crystallisation of aqueous solutions of LiCl∙RH2O and LiBr∙RH2O with R = 5.6 leads to solids with strongly expanded volume, a destruction of the hydrogen-bond network with an isotropic distribution of water-dipole moments, as well as a crystal-to-amorphous transition on decompression. This highly unusual behaviour constitutes an interesting pathway from a glass to a crystal where translational periodicity is restored but the rotational degrees of freedom remaining completely random. PMID:27562476

  3. Isothermal Ice Crystallization Kinetics in the Gas-Diffusion Layer of a Proton-Exchange-Membrane Fuel Cell

    SciTech Connect

    Dursch, Thomas J.; Ciontea, Monica A.; Radke, Clayton J.; Weber, Adam Z.

    2011-12-01

    Nucleation and growth of ice in the fibrous gas-diffusion layer (GDL) of a proton-exchange membrane fuel cell (PEMFC) are studied 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. Finally, a validated rate expression is now available for predicting ice-crystallization kinetics in GDLs.

  4. Derivation of Physical and Optical Properties of Midlatitude Cirrus Ice Crystals for a Size-Resolved Cloud Microphysics Model

    NASA Technical Reports Server (NTRS)

    Fridlind, Ann M.; Atlas, Rachel; Van Diedenhoven, Bastiaan; Um, Junshik; McFarquhar, Greg M.; Ackerman, Andrew S.; Moyer, Elisabeth J.; Lawson, R. Paul

    2016-01-01

    Single-crystal images collected in mid-latitude cirrus are analyzed to provide internally consistent ice physical and optical properties for a size-resolved cloud microphysics model, including single-particle mass, projected area, fall speed, capacitance, single-scattering albedo, and asymmetry parameter. Using measurements gathered during two flights through a widespread synoptic cirrus shield, bullet rosettes are found to be the dominant identifiable habit among ice crystals with maximum dimension (Dmax) greater than 100µm. Properties are therefore first derived for bullet rosettes based on measurements of arm lengths and widths, then for aggregates of bullet rosettes and for unclassified (irregular) crystals. Derived bullet rosette masses are substantially greater than reported in existing literature, whereas measured projected areas are similar or lesser, resulting in factors of 1.5-2 greater fall speeds, and, in the limit of large Dmax, near-infrared single-scattering albedo and asymmetry parameter (g) greater by approx. 0.2 and 0.05, respectively. A model that includes commonly imaged side plane growth on bullet rosettes exhibits relatively little difference in microphysical and optical properties aside from approx. 0:05 increase in mid-visible g primarily attributable to plate aspect ratio. In parcel simulations, ice size distribution, and g are sensitive to assumed ice properties.

  5. Ice VII from aqueous salt solutions: From a glass to a crystal with broken H-bonds

    PubMed Central

    Klotz, S.; Komatsu, K.; Pietrucci, F.; Kagi, H.; Ludl, A.-A.; Machida, S.; Hattori, T.; Sano-Furukawa, A.; Bove, L. E.

    2016-01-01

    It has been known for decades that certain aqueous salt solutions of LiCl and LiBr readily form glasses when cooled to below ≈160 K. This fact has recently been exploited to produce a « salty » high-pressure ice form: When the glass is compressed at low temperatures to pressures higher than 4 GPa and subsequently warmed, it crystallizes into ice VII with the ionic species trapped inside the ice lattice. Here we report the extreme limit of salt incorporation into ice VII, using high pressure neutron diffraction and molecular dynamics simulations. We show that high-pressure crystallisation of aqueous solutions of LiCl∙RH2O and LiBr∙RH2O with R = 5.6 leads to solids with strongly expanded volume, a destruction of the hydrogen-bond network with an isotropic distribution of water-dipole moments, as well as a crystal-to-amorphous transition on decompression. This highly unusual behaviour constitutes an interesting pathway from a glass to a crystal where translational periodicity is restored but the rotational degrees of freedom remaining completely random. PMID:27562476

  6. Ice VII from aqueous salt solutions: From a glass to a crystal with broken H-bonds

    NASA Astrophysics Data System (ADS)

    Klotz, S.; Komatsu, K.; Pietrucci, F.; Kagi, H.; Ludl, A.-A.; Machida, S.; Hattori, T.; Sano-Furukawa, A.; Bove, L. E.

    2016-08-01

    It has been known for decades that certain aqueous salt solutions of LiCl and LiBr readily form glasses when cooled to below ≈160 K. This fact has recently been exploited to produce a « salty » high-pressure ice form: When the glass is compressed at low temperatures to pressures higher than 4 GPa and subsequently warmed, it crystallizes into ice VII with the ionic species trapped inside the ice lattice. Here we report the extreme limit of salt incorporation into ice VII, using high pressure neutron diffraction and molecular dynamics simulations. We show that high-pressure crystallisation of aqueous solutions of LiCl•RH2O and LiBr•RH2O with R = 5.6 leads to solids with strongly expanded volume, a destruction of the hydrogen-bond network with an isotropic distribution of water-dipole moments, as well as a crystal-to-amorphous transition on decompression. This highly unusual behaviour constitutes an interesting pathway from a glass to a crystal where translational periodicity is restored but the rotational degrees of freedom remaining completely random.

  7. 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.

  8. Crystal Structure of Human DNA Methyltransferase 1.

    PubMed

    Zhang, Zhi-Min; Liu, Shuo; Lin, Krystal; Luo, Youfu; Perry, John Jefferson; Wang, Yinsheng; Song, Jikui

    2015-07-31

    DNMT1 (DNA methyltransferase 1) is responsible for propagating the DNA methylation patterns during DNA replication. DNMT1 contains, in addition to a C-terminal methyltransferase domain, a large N-terminal regulatory region that is composed of an RFTS (replication foci targeting sequence) domain, a CXXC zinc finger domain and a pair of BAH (bromo adjacent homology) domains. The regulatory domains of DNMT1 mediate a network of protein-protein and protein-DNA interactions to control the recruitment and enzymatic activity of DNMT1. Here we report the crystal structure of human DNMT1 with all the structural domains (hDNMT1, residues 351-1600) in complex with S-adenosyl-l-homocysteine at 2.62Å resolution. The RFTS domain directly associates with the methyltransferase domain, thereby inhibiting the substrate binding of hDNMT1. Through structural analysis, mutational, biochemical and enzymatic studies, we further identify that a linker sequence between the CXXC and BAH1 domains, aside from its role in the CXXC domain-mediated DNMT1 autoinhibition, serves as an important regulatory element in the RFTS domain-mediated autoinhibition. In comparison with the previously determined structure of mouse DNMT1, this study also reveals a number of distinct structural features that may underlie subtle functional diversity observed for the two orthologues. In addition, this structure provides a framework for understanding the functional consequence of disease-related hDNMT1 mutations.

  9. The crystal structure of vyuntspakhite: A redetermination

    NASA Astrophysics Data System (ADS)

    Yakubovich, O. V.; Steele, I. M.

    2009-09-01

    The crystal structure of the mineral vyuntspakhite (Y, TR)6{Al2(OH)3[H1.48Si1.88O7][SiO4][SiO3(OH)]}2( a = 5.7551(11) Å, b = 14.752(3) Å, c = 15.906(4) Å, β = 96.046(4)°, sp. gr. P21/ n, Z = 2), which had been established earlier in the pseudo-unit cell, is redetermined by X-ray diffraction ( R = 0.040, T = 100 K). The redetermination of the structure shows that pronounced pseudotranslation along the axis c' = c/3 is associated with the fact that Y( TR) atoms are related by a 1/3 translation along the [001] direction. Most of the hydrogen atoms are located. The crystal-chemical function of hydrogen bonds is analyzed. In the unit cell of vyuntspakhite, the cationic layers consisting of edge-sharing (Y, TR) eight-vertex polyhedra alternate along the b axis with mixed anionic layers composed of isolated Si tetrahedra (orthotetrahedra), Si2O7 double-tetrahedra (diortho) groups, Al five-vertex polyhedra, and Al2O8 double-tetrahedra groups linked by shared vertices and through hydrogen bonding.

  10. Fine crystal structure of porous corundum ceramics

    NASA Astrophysics Data System (ADS)

    Grigoriev, M. V.; Kulkov, S. N.

    2011-05-01

    The microstructure of corundum ceramics based on powders with a varying grain size has been investigated. Both commercial alumina powders and those fabricated by denitration of aluminum salts in a high-frequency discharge plasma were used. An increase in the plasma-chemical Al2O3 powder content in the sample was found to change the pore structure of the corundum ceramics from a high-porosity ceramic skeleton with a well-developed system of channel-forming pores to ceramics with isolated pores. The change in the pore structure was observed for 50% porosity and caused an increase in the level of crystal lattice microdistortions. An increase in the sintering temperature from 1200 to 1650°C is shown to be responsible for a two-fold increase in the average crystallite size and for annealing of lattice defects along grain boundaries.

  11. Crystal structure of mammalian acid sphingomyelinase

    PubMed Central

    Gorelik, Alexei; Illes, Katalin; Heinz, Leonhard X.; Superti-Furga, Giulio; Nagar, Bhushan

    2016-01-01

    Acid sphingomyelinase (ASMase, ASM, SMPD1) converts sphingomyelin into ceramide, modulating membrane properties and signal transduction. Inactivating mutations in ASMase cause Niemann–Pick disease, and its inhibition is also beneficial in models of depression and cancer. To gain a better understanding of this critical therapeutic target, we determined crystal structures of mammalian ASMase in various conformations. The catalytic domain adopts a calcineurin-like fold with two zinc ions and a hydrophobic track leading to the active site. Strikingly, the membrane interacting saposin domain assumes either a closed globular conformation independent from the catalytic domain, or an open conformation, which establishes an interface with the catalytic domain essential for activity. Structural mapping of Niemann–Pick mutations reveals that most of them likely destabilize the protein's fold. This study sheds light on the molecular mechanism of ASMase function, and provides a platform for the rational development of ASMase inhibitors and therapeutic use of recombinant ASMase. PMID:27435900

  12. Crystal structure of mammalian acid sphingomyelinase.

    PubMed

    Gorelik, Alexei; Illes, Katalin; Heinz, Leonhard X; Superti-Furga, Giulio; Nagar, Bhushan

    2016-01-01

    Acid sphingomyelinase (ASMase, ASM, SMPD1) converts sphingomyelin into ceramide, modulating membrane properties and signal transduction. Inactivating mutations in ASMase cause Niemann-Pick disease, and its inhibition is also beneficial in models of depression and cancer. To gain a better understanding of this critical therapeutic target, we determined crystal structures of mammalian ASMase in various conformations. The catalytic domain adopts a calcineurin-like fold with two zinc ions and a hydrophobic track leading to the active site. Strikingly, the membrane interacting saposin domain assumes either a closed globular conformation independent from the catalytic domain, or an open conformation, which establishes an interface with the catalytic domain essential for activity. Structural mapping of Niemann-Pick mutations reveals that most of them likely destabilize the protein's fold. This study sheds light on the molecular mechanism of ASMase function, and provides a platform for the rational development of ASMase inhibitors and therapeutic use of recombinant ASMase. PMID:27435900

  13. 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.

  14. Structure, thermodynamics, and crystallization of amorphous hafnia

    SciTech Connect

    Luo, Xuhui; Demkov, Alexander A.

    2015-09-28

    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/HfO{sub 2}. The crystallization temperature is estimated to be 421 K. The calculations suggest an explanation for the low thermal stability of amorphous hafnia.

  15. 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

  16. 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.

  17. Near Surface Structure of Organic Semiconductor Tetracene Single Crystal

    NASA Astrophysics Data System (ADS)

    Wakabayashi, Yusuke; Morisaki, Hazuki; Kimura, Tsuyoshi; Miwa, Kazumoto; Koretsune, Takashi; Takeya, Jun

    2014-03-01

    Electric conduction in organic crystals is highly anisotropic because of the anisotropic molecular orbitals. Crystal structure governs the transfer through the overlap integral among the highest occupied (or lowest unoccupied) molecular orbitals. In case of organic devices, the place where electrons conduct is the interface. Therefore, the surface structure of organic single crystals is relevant. Surface relaxation of the structure of rubrene single crystal was firstly observed by means of surface x-ray diffraction a few years ago. This time we performed similar measurement on tetracene single crystal, whose molecular shape has large similarity with rubrene while the crystal structure is very different. Tetracene single crystal was grown by the physical vapor transport method, and the surface x-ray diffraction experiments were performed at BL-3A and 4C of the Photon Factory, KEK, Japan. Obtained electron density profile shows a large structural deformation at the surface layer of tetracene.

  18. 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

  19. Prediction of binary hard-sphere crystal structures.

    PubMed

    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, gammaCuTi, alphaIrV, 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. PMID:19518387

  20. Bathymetry and geological structures beneath the Ross Ice Shelf at the mouth of Whillans Ice Stream, West Antarctica, modeled from ground-based gravity measurements

    NASA Astrophysics Data System (ADS)

    Muto, A.; Christianson, K.; Horgan, H.; Anandakrishnan, S.; Alley, R. B.

    2012-12-01

    Grounding zones of ice sheets and contiguous ice shelves are important in understanding ice sheet dynamics, as key processes that influence the grounded ice and its discharge into the ocean occur in these regions. Ice-ocean interactions are controlled by the relatively poorly known bathymetry and the configuration of the cavity beneath ice shelves. In addition, knowledge of submarine geological structures and their distributions contributes to understanding the dynamic history of the glaciers and ice streams feeding the ice shelves. However, detailed geophysical surveys of these areas remain scarce due largely to the logistic difficulties of obtaining observational data about the subglacial environment beneath an ice shelf. Here we present a 3D model of the bathymetry and geological structures beneath the Ross Ice Shelf in an embayment at the mouth of Whillans Ice Stream. We use gravity data collected at 82 locations with a portable gravimeter, in conjunction with high-resolution active-source seismic and ice-penetrating radar data to constrain thicknesses of the water column, sediments, ice and firn where the data sets overlap. The active-source seismic survey revealed a shallow water column and soft sediments approximately 15 km seaward of the grounding zone. We explore the extent of such water and sedimentary columns, and the density of the sediment, in a ~500 km-2 embayment that is roughly triangular in shape. Finally, we discuss the uncertainties and trade-offs of the various methods.

  1. Structural Transitions in Cholesteric Liquid Crystal Droplets.

    PubMed

    Zhou, Ye; Bukusoglu, Emre; Martínez-González, José A; Rahimi, Mohammad; Roberts, Tyler F; Zhang, Rui; Wang, Xiaoguang; Abbott, Nicholas L; de Pablo, Juan J

    2016-07-26

    Confinement of cholesteric liquid crystals (ChLC) into droplets leads to a delicate interplay between elasticity, chirality, and surface energy. In this work, we rely on a combination of theory and experiments to understand the rich morphological behavior that arises from that balance. More specifically, a systematic study of micrometer-sized ChLC droplets is presented as a function of chirality and surface energy (or anchoring). With increasing chirality, a continuous transition is observed from a twisted bipolar structure to a radial spherical structure, all within a narrow range of chirality. During such a transition, a bent structure is predicted by simulations and confirmed by experimental observations. Simulations are also able to capture the dynamics of the quenching process observed in experiments. Consistent with published work, it is found that nanoparticles are attracted to defect regions on the surface of the droplets. For weak anchoring conditions at the nanoparticle surface, ChLC droplets adopt a morphology similar to that of the equilibrium helical phase observed for ChLCs in the bulk. As the anchoring strength increases, a planar bipolar structure arises, followed by a morphological transition to a bent structure. The influence of chirality and surface interactions are discussed in the context of the potential use of ChLC droplets as stimuli-responsive materials for reporting molecular adsorbates.

  2. Ice crystal c-axis orientation and mean grain size measurements from the Dome Summit South ice core, Law Dome, East Antarctica

    NASA Astrophysics Data System (ADS)

    Treverrow, Adam; Jun, Li; Jacka, Tim H.

    2016-06-01

    We present measurements of crystal c-axis orientations and mean grain area from the Dome Summit South (DSS) ice core drilled on Law Dome, East Antarctica. All measurements were made on location at the borehole site during drilling operations. The data are from 185 individual thin sections obtained between a depth of 117 m below the surface and the bottom of the DSS core at a depth of 1196 m. The median number of c-axis orientations recorded in each thin section was 100, with values ranging from 5 through to 111 orientations. The data from all 185 thin sections are provided in a single comma-separated value (csv) formatted file which contains the c-axis orientations in polar coordinates, depth information for each core section from which the data were obtained, the mean grain area calculated for each thin section and other data related to the drilling site. The data set is also available as a MATLABstructure array. Additionally, the c-axis orientation data from each of the 185 thin sections are summarized graphically in figures containing a Schmidt diagram, histogram of c-axis colatitudes and rose plot of c-axis azimuths. All these data are referenced by doi:10.4225/15/5669050CC1B3B and are available free of charge at https://data.antarctica.gov.au.<

  3. 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.

  4. 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.

  5. Firn structure of Larsen C Ice Shelf, Antarctic Peninsula, from in-situ geophysical surveys

    NASA Astrophysics Data System (ADS)

    Kulessa, B.; Brisbourne, A.; Kuipers Munneke, P.; Bevan, S. L.; Luckman, A. J.; Hubbard, B. P.; Ashmore, D.; Holland, P.; Jansen, D.; King, E. C.; O'Leary, M.; McGrath, D.

    2015-12-01

    Rising surface temperatures have been causing firn layers on Antarctic Peninsula ice shelves to compact, a process that is strongly implicated in ice shelf disintegration. Firn compaction is expected to warm the ice column and given sufficiently wet and compacted firn layers, to allow meltwater to penetrate into surface crevasses and thus enhance the potential for hydrofracture. On Larsen C Ice Shelf a compacting firn layer has previously been inferred from airborne radar and satellite data, with strongly reduced air contents in Larsen C's north and north-west. The hydrological processes governing firn compaction, and the detailed firn structures they produce, have so far remained uncertain however. Using integrated seismic refraction, MASW (Multi-Channel Analysis of Surface Waves), seismoelectric and ground-penetrating radar (GPR) data, we reveal vertical and horizontal changes in firn structure across Larsen C Ice Shelf. Particular attention is paid to the spatial prevalence of refrozen meltwaters within firn, such as the massive subsurface ice layer discovered recently by the NERC-funded MIDAS project in Cabinet Inlet in Larsen C's extreme northwest. Such ice layers or lenses are particularly dramatic manifestations of increased ice shelf densities and temperatures, and contrast sharply with the relatively uncompacted firn layers present in the ice shelf's southeast. We consider our observations in the context of a one-dimensional firn model for Larsen C Ice Shelf that includes melt percolation and refreezing, and discuss temporal changes in firn layer structures due to surface melt and ponding.

  6. 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.

  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 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

  9. 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

  10. 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.

  11. 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 Å 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 than the 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

  12. The crystal structure Escherichia coli Spy.

    PubMed

    Kwon, Eunju; Kim, Dong Young; Gross, Carol A; Gross, John D; Kim, Kyeong Kyu

    2010-11-01

    Escherichia coli spheroplast protein y (EcSpy) is a small periplasmic protein that is homologous with CpxP, an inhibitor of the extracytoplasmic stress response. Stress conditions such as spheroplast formation induce the expression of Spy via the Cpx or the Bae two-component systems in E. coli, though the function of Spy is unknown. Here, we report the crystal structure of EcSpy, which reveals a long kinked hairpin-like structure of four α-helices that form an antiparallel dimer. The dimer contains a curved oval shape with a highly positively charged concave surface that may function as a ligand binding site. Sequence analysis reveals that Spy is highly conserved over the Enterobacteriaceae family. Notably, three conserved regions that contain identical residues and two LTxxQ motifs are placed at the horizontal end of the dimer structure, stabilizing the overall fold. CpxP also contains the conserved sequence motifs and has a predicted secondary structure similar to Spy, suggesting that Spy and CpxP likely share the same fold.

  13. 3D Micro-topography of Transferred Laboratory and Natural Ice Crystal Surfaces Imaged by Cryo and Environmental Scanning Electron Microscopy

    NASA Astrophysics Data System (ADS)

    Magee, N. B.; Boaggio, K.; Bancroft, L.; Bandamede, M.

    2015-12-01

    Recent work has highlighted micro-scale roughness on the surfaces of ice crystals grown and imaged in-situ within the chambers of environmental scanning electron microscopes (ESEM). These observations appear to align with theoretical and satellite observations that suggest a prevalence of rough ice in cirrus clouds. However, the atmospheric application of the lab observations are indeterminate because the observations have been based only on crystals grown on substrates and in pure-water vapor environments. In this work, we present details and results from the development of a transfer technique which allows natural and lab-grown ice and snow crystals to be captured, preserved, and transferred into the ESEM for 3D imaging. Ice crystals were gathered from 1) natural snow, 2) a balloon-borne cirrus particle capture device, and 3) lab-grown ice crystals from a diffusion chamber. Ice crystals were captured in a pre-conditioned small-volume (~1 cm3) cryo-containment cell. The cell was then sealed closed and transferred to a specially-designed cryogenic dewer (filled with liquid nitrogen or crushed dry ice) for transport to a new Hitachi Field Emission, Variable Pressure SEM (SU-5000). The cryo-cell was then removed from the dewer and quickly placed onto the pre-conditioned cryo transfer stage attached to the ESEM (Quorum 3010T). Quantitative 3D topographical digital elevation models of ice surfaces are reported from SEM for the first time, including a variety of objective measures of statistical surface roughness. The surfaces of the transported crystals clearly exhibit signatures of mesoscopic roughening that are similar to examples of roughness seen in ESEM-grown crystals. For most transported crystals, the habits and crystal edges are more intricate that those observed for ice grown directly on substrates within the ESEM chamber. Portions of some crystals do appear smooth even at magnification greater than 1000x, a rare observation in our ESEM-grown crystals. The

  14. 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.

  15. Cascaded adaptive-mask algorithm for twin-image removal and its application to digital holograms of ice crystals.

    PubMed

    Raupach, Sebastian M F

    2009-01-10

    An iterative Gerchberg-Saxton-type algorithm with a support constraint for twin-image removal from reconstructed Gabor inline holograms of single plane objects is described. It is applied to simulated holograms and to holograms of ice crystals recorded in the laboratory and in atmospheric clouds in situ. The algorithm is characterized by a distinction between object and background region and an iterative adaption of the object mask. Applying the algorithm to recorded inline holograms of atmospheric objects, the twin-image artifacts are removed successfully, for the first time allowing for a proper access to the in situ phase information on atmospheric ice crystals. It is also demonstrated that, after application of the algorithm, previously indiscernible internal object features can become visible for large Fresnel numbers.

  16. 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

  17. 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

  18. 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

  19. 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.

  20. Structure and form of grounding lines of modern ice sheets

    NASA Astrophysics Data System (ADS)

    Tinto, K. J.; Bell, R. E.; Cochran, J. R.; Boghosian, A.; Porter, D. F.

    2015-12-01

    The form of the bed at the grounding line of a glacier and the character of the underlying rock can be critical to the stability of the glacier. Aerogravity measurements offer a unique insight in to the character of the grounding line environment. By combining depth measurements from further onshore radar and geological information from magnetic surveys, gravity-based models can reveal both the depth and slope of the bed at the grounding line. Where bed elevation is known at the grounding line, gravity models can show the density structure of the underlying rock. Operation IceBridge has flown coincident radar, lidar, photography, gravity and magnetic airborne surveys along fjords and over ice shelves in both Greenland and Antarctica. Aerogravity measurements have been used extensively to model the bathymetry of the sea floor in front of the grounding line, and to identify the depth of the grounding line in areas where radar measurements have proven challenging. These models have also been used to reveal the range of conditions at present day grounding lines, as well as those experienced in the past and predicted for future grounding line positions. In some regions, we have identified low-density sediment accumulations, at both present day grounding lines and within fjords, that we interpret to be terminal moraines deposited by the glacier itself during hiatuses in retreat. In other regions, we find that the present day grounding line is stalled on a ridge of high-density rock. Ridges such as these remain in the same position through many cycles of advance and retreat of the glacier. Our synthesis of gravity data from a wide range of glacial environments can be used to identify likely drivers of change at the grounding line, whether this is the depth, the slope, or the geological character of the glacier bed.

  1. 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.

  2. Crystal Structure of Amylomaltase from Corynebacterium glutamicum.

    PubMed

    Joo, Seongjoon; Kim, Sangwoo; Seo, Hogyun; Kim, Kyung-Jin

    2016-07-20

    Amylomaltase is an essential enzyme in maltose utilization and maltodextrin metabolism, and it has been industrially used for the production of cyclodextrin and modification of starch. We determined the crystal structure of amylomaltase from Corynebacterium glutamicum (CgAM) at a resolution of 1.7 Å. Although CgAM forms a dimer without NaCl, it exists as a monomer in physiological concentration of NaCl. CgAM is composed of N- and C-terminal domains, which can be further divided into two and four subdomains, respectively. It exhibits a unique structural feature at the functionally unknown N-domain and also shows two striking differences at the C-domain compared to other amylomaltases. These differences at extended edge of the substrate-binding site might affect substrate specificity for large cyclodextrin formation. The bis-tris methane and sulfate molecules bound at the substrate-binding site of our current structure mimic the binding of the hydroxyl groups of glucose bound at subsites -1 and -2, respectively. PMID:27366969

  3. 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)

  4. Ice crystallization and freeze tolerance in embryonic stages of the tardigrade Milnesium tardigradum.

    PubMed

    Hengherr, S; Reuner, A; Brümmer, F; Schill, R O

    2010-05-01

    In tardigrades, tolerance to low temperature is well known and allows them to cope with subzero temperatures in their environment. Although the ability to tolerate freezing body water has been demonstrated in some tardigrades, freeze tolerance of embryonic stages has been little studied, although this has ecological significance. In this study, we evaluated the subzero temperature survival of five different developmental stages of the eutardigrade species Milnesium tardigradum after freezing to -30 degrees C. Embryos were exposed to five different cooling rates between room temperature and -30 degrees C at 1 degrees C/h, 3 degrees C/h, 5 degrees C/h, 7 degrees C/h, and 9 degrees C/h followed by a warming period at 10 degrees C/h. The results showed that the developmental stage and the cooling rate have a significant effect on the hatching rate. Less developed embryonic stages were more sensitive to freezing at higher freezing rates than more developed stages. Differential Scanning Calorimetry (DSC) was used to determine the temperature of crystallization (Tc) in single embryos of the different developmental stages and revealed no differences between the stages. Based on the calorimetric data, we also conclude that the ice nucleation is homogeneous in embryonic stages in tardigrades, as also recently shown for fully developed tardigrades, and not triggered by nucleating agents.

  5. Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.

    PubMed

    Asmadi, Aldi; Neumann, Marcus A; Kendrick, John; Girard, Pascale; Perrin, Marc-Antoine; Leusen, Frank J J

    2009-12-24

    In the 2007 blind test of crystal structure prediction hosted by the Cambridge Crystallographic Data Centre (CCDC), a hybrid DFT/MM method correctly ranked each of the four experimental structures as having the lowest lattice energy of all the crystal structures predicted for each molecule. The work presented here further validates this hybrid method by optimizing the crystal structures (experimental and submitted) of the first three CCDC blind tests held in 1999, 2001, and 2004. Except for the crystal structures of compound IX, all structures were reminimized and ranked according to their lattice energies. The hybrid method computes the lattice energy of a crystal structure as the sum of the DFT total energy and a van der Waals (dispersion) energy correction. Considering all four blind tests, the crystal structure with the lowest lattice energy corresponds to the experimentally observed structure for 12 out of 14 molecules. Moreover, good geometrical agreement is observed between the structures determined by the hybrid method and those measured experimentally. In comparison with the correct submissions made by the blind test participants, all hybrid optimized crystal structures (apart from compound II) have the smallest calculated root mean squared deviations from the experimentally observed structures. It is predicted that a new polymorph of compound V exists under pressure.

  6. Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystals.

    PubMed

    Asmadi, Aldi; Neumann, Marcus A; Kendrick, John; Girard, Pascale; Perrin, Marc-Antoine; Leusen, Frank J J

    2009-12-24

    In the 2007 blind test of crystal structure prediction hosted by the Cambridge Crystallographic Data Centre (CCDC), a hybrid DFT/MM method correctly ranked each of the four experimental structures as having the lowest lattice energy of all the crystal structures predicted for each molecule. The work presented here further validates this hybrid method by optimizing the crystal structures (experimental and submitted) of the first three CCDC blind tests held in 1999, 2001, and 2004. Except for the crystal structures of compound IX, all structures were reminimized and ranked according to their lattice energies. The hybrid method computes the lattice energy of a crystal structure as the sum of the DFT total energy and a van der Waals (dispersion) energy correction. Considering all four blind tests, the crystal structure with the lowest lattice energy corresponds to the experimentally observed structure for 12 out of 14 molecules. Moreover, good geometrical agreement is observed between the structures determined by the hybrid method and those measured experimentally. In comparison with the correct submissions made by the blind test participants, all hybrid optimized crystal structures (apart from compound II) have the smallest calculated root mean squared deviations from the experimentally observed structures. It is predicted that a new polymorph of compound V exists under pressure. PMID:19950907

  7. Crystal structures of Bacillus subtilis Lon protease.

    PubMed

    Duman, Ramona E; Löwe, Jan

    2010-08-27

    Lon ATP-dependent proteases are key components of the protein quality control systems of bacterial cells and eukaryotic organelles. Eubacterial Lon proteases contain an N-terminal domain, an ATPase domain, and a protease domain, all in one polypeptide chain. The N-terminal domain is thought to be involved in substrate recognition, the ATPase domain in substrate unfolding and translocation into the protease chamber, and the protease domain in the hydrolysis of polypeptides into small peptide fragments. Like other AAA+ ATPases and self-compartmentalising proteases, Lon functions as an oligomeric complex, although the subunit stoichiometry is currently unclear. Here, we present crystal structures of truncated versions of Lon protease from Bacillus subtilis (BsLon), which reveal previously unknown architectural features of Lon complexes. Our analytical ultracentrifugation and electron microscopy show different oligomerisation of Lon proteases from two different bacterial species, Aquifex aeolicus and B. subtilis. The structure of BsLon-AP shows a hexameric complex consisting of a small part of the N-terminal domain, the ATPase, and protease domains. The structure shows the approximate arrangement of the three functional domains of Lon. It also reveals a resemblance between the architecture of Lon proteases and the bacterial proteasome-like protease HslUV. Our second structure, BsLon-N, represents the first 209 amino acids of the N-terminal domain of BsLon and consists of a globular domain, similar in structure to the E. coli Lon N-terminal domain, and an additional four-helix bundle, which is part of a predicted coiled-coil region. An unexpected dimeric interaction between BsLon-N monomers reveals the possibility that Lon complexes may be stabilised by coiled-coil interactions between neighbouring N-terminal domains. Together, BsLon-N and BsLon-AP are 36 amino acids short of offering a complete picture of a full-length Lon protease.

  8. 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

  9. Bottom Fixed Platform Dynamics Models Assessing Surface Ice Interactions for Transitional Depth Structures in the Great Lakes: FAST8 – IceDyn

    SciTech Connect

    Karr, Dale G.; Yu, Bingbin; Sirnivas, Senu

    2015-04-01

    To create long-term solutions for offshore wind turbines in a variety of environmental conditions, CAE tools are needed to model the design-driving loads that interact with an offshore wind turbine system during operation. This report describes our efforts in augmenting existing CAE tools used for offshore wind turbine analysis with a new module that can provide simulation capabilities for ice loading on the system. This augmentation was accomplished by creating an ice-loading module coupled to FAST8, the CAE tool maintained by the NREL for simulating land-based and offshore wind turbine dynamics. The new module includes both static and dynamic ice loading that can be applied during a dynamic simulation of the response of an offshore wind turbine. The ice forces can be prescribed, or influenced by the structure’s compliant response, or by the dynamics of both the structure and the ice floe. The new module covers ice failure modes of spalling, buckling, crushing, splitting, and bending. The supporting structure of wind turbines can be modeled as a vertical or sloping form at the waterline. The Inward Battered Guide Structure (IBGS) foundation designed by Keystone Engineering for the Great Lakes was used to study the ice models coupled to FAST8. The IBGS foundation ice loading simulations in FAST8 were compared to the baseline simulation case without ice loading. The ice conditions reflecting those from Lake Huron at Port Huron and Lake Michigan at North Manitou were studied under near rated wind speed of 12 m/s for the NREL 5-MW reference turbine. Simulations were performed on ice loading models 1 through 4 and ice model 6 with their respective sub-models. The purpose of ice model 5 is to investigate ice loading on sloping structures such as ice-cones on a monopile and is not suitable for multi-membered jacketed structures like the IBGS foundation. The key response parameters from the simulations, shear forces and moments from the tower base and IBGS foundation

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. Ice particle crystallization in the presence of ethanol: an in situ study by Raman and X-ray diffraction.

    PubMed

    Facq, Sébastien; Danède, Florence; Chazallon, Bertrand

    2013-06-13

    Two distinct ethanol aqueous solution droplets ((X(EtOH))L = 8.7 wt % and 46.5 wt %) are investigated by in situ Raman spectroscopy and X-ray diffraction between 253 and 88 K. Structural changes are identified by modifications in the O-H and C-H stretching modes (2800-3800 cm(-1) spectral region) during freezing and annealing events. They are attributed to the formation of ice and/or different hydrate structures in the EtOH-water system. At high initial ethanol concentration, the particle is found to be composed of a modified clathrate I (cubic structure) at 211 K on cooling and transformed into an ethanol hydrate II (monoclinic structure) on annealing between ∼143 and 173 K. This latter decomposes at ∼200 K and leaves an aqueous solution and ice Ih which further dissociates above ∼230 K. At low initial concentration, ice first forms on cooling and the particle consists of a crystalline ice core embedded in a liquid layer of high ethanol content at ~200 K (or an amorphous layer at lower T). A new hydrate (IV) of distinct structure (orthorhombic) is observed on annealing (from 100 K) between ∼123 K and ∼142 K (depending on initial composition), which transforms into the ethanol hydrate II at ∼160 K. The hydrate II decomposes at ∼200 K, and ice Ih remains (and dissociate above ∼220 K) in coexistence with the liquid layer of high ethanol content. It is proposed that the complex crystalline ice particles formed may have the potential to impact several atmospherical processes differently in comparison to the pure ice case. PMID:23682626

  18. Crystallization and Structure Determination of Superantigens and Immune Receptor Complexes.

    PubMed

    Rödström, Karin E J; Lindkvist-Petersson, Karin

    2016-01-01

    Structure determination of superantigens and the complexes they form with immune receptors have over the years provided insight in their modes of action. This technique requires growing large and highly ordered crystals of the superantigen or receptor-superantigen complex, followed by exposure to X-ray radiation and data collection. Here, we describe methods for crystallizing superantigens and superantigen-receptor complexes using the vapor diffusion technique, how the crystals may be optimized, and lastly data collection and structure determination.

  19. What Determines the Ice Polymorph in Clouds?

    PubMed

    Hudait, Arpa; Molinero, Valeria

    2016-07-20

    Ice crystals in the atmosphere nucleate from supercooled liquid water and grow by vapor uptake. The structure of the ice polymorph grown has strong impact on the morphology and light scattering of the ice crystals, modulates the amount of water vapor in ice clouds, and can impact the molecular uptake and reactivity of atmospheric aerosols. Experiments and molecular simulations indicate that ice nucleated and grown from deeply supercooled liquid water is metastable stacking disordered ice. The ice polymorph grown from vapor has not yet been determined. Here we use large-scale molecular simulations to determine the structure of ice that grows as a result of uptake of water vapor in the temperature range relevant to cirrus and mixed-phase clouds, elucidate the molecular mechanism of the formation of ice at the vapor interface, and compute the free energy difference between cubic and hexagonal ice interfaces with vapor. We find that vapor deposition results in growth of stacking disordered ice only under conditions of extreme supersaturation, for which a nonequilibrium liquid layer completely wets the surface of ice. Such extreme conditions have been used to produce stacking disordered frost ice in experiments and may be plausible in the summer polar mesosphere. Growth of ice from vapor at moderate supersaturations in the temperature range relevant to cirrus and mixed-phase clouds, from 200 to 260 K, produces exclusively the stable hexagonal ice polymorph. Cubic ice is disfavored with respect to hexagonal ice not only by a small penalty in the bulk free energy (3.6 ± 1.5 J mol(-1) at 260 K) but also by a large free energy penalty at the ice-vapor interface (89.7 ± 12.8 J mol(-1) at 260 K). The latter originates in higher vibrational entropy of the hexagonal-terminated ice-vapor interface. We predict that the free energy penalty against the cubic ice interface should decrease strongly with temperature, resulting in some degree of stacking disorder in ice grown from

  20. What Determines the Ice Polymorph in Clouds?

    PubMed

    Hudait, Arpa; Molinero, Valeria

    2016-07-20

    Ice crystals in the atmosphere nucleate from supercooled liquid water and grow by vapor uptake. The structure of the ice polymorph grown has strong impact on the morphology and light scattering of the ice crystals, modulates the amount of water vapor in ice clouds, and can impact the molecular uptake and reactivity of atmospheric aerosols. Experiments and molecular simulations indicate that ice nucleated and grown from deeply supercooled liquid water is metastable stacking disordered ice. The ice polymorph grown from vapor has not yet been determined. Here we use large-scale molecular simulations to determine the structure of ice that grows as a result of uptake of water vapor in the temperature range relevant to cirrus and mixed-phase clouds, elucidate the molecular mechanism of the formation of ice at the vapor interface, and compute the free energy difference between cubic and hexagonal ice interfaces with vapor. We find that vapor deposition results in growth of stacking disordered ice only under conditions of extreme supersaturation, for which a nonequilibrium liquid layer completely wets the surface of ice. Such extreme conditions have been used to produce stacking disordered frost ice in experiments and may be plausible in the summer polar mesosphere. Growth of ice from vapor at moderate supersaturations in the temperature range relevant to cirrus and mixed-phase clouds, from 200 to 260 K, produces exclusively the stable hexagonal ice polymorph. Cubic ice is disfavored with respect to hexagonal ice not only by a small penalty in the bulk free energy (3.6 ± 1.5 J mol(-1) at 260 K) but also by a large free energy penalty at the ice-vapor interface (89.7 ± 12.8 J mol(-1) at 260 K). The latter originates in higher vibrational entropy of the hexagonal-terminated ice-vapor interface. We predict that the free energy penalty against the cubic ice interface should decrease strongly with temperature, resulting in some degree of stacking disorder in ice grown from

  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

  2. 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.

  3. 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…

  4. Evidence of ice crystal growth within mixed phase clouds along fall streaks - a radar observation case study

    NASA Astrophysics Data System (ADS)

    Pfitzenmaier, Lukas; Dufournet, Yann; Unal, Christine; Russchenberg, Herman

    2016-04-01

    Mixed phase clouds contain both ice particles and super-cooled cloud water droplets in the same volume of air. Currently, one of the main challenges is to observe and understand how ice particles grow by interacting with liquid water within the mixed-phase clouds. In the mid latitudes this process is one of the most efficient processes for precipitation formation. The case study presented here is based on observations obtained with the Transportable Atmospheric RAdar (TARA), S-band precipitation radar profiler, from Delft University of Technology during the Analysis of the Composition of mixed-phase Clouds with Extended Polarization Techniques campaign (ACCEPT) at Cabauw The Netherlands, autumn 2014. The high temporal (3 seconds) and spatial resolutions (21 m) as well as the Doppler and polarimetric capabilities of TARA are used to estimate size and shape information of the measured hydrometeors. In addition, the unique 3 beam configuration of TARA provides 3-D dynamical information within the cloud system. Based on the dynamical information it is possible to retrieve the fall steak signatures of falling ice particles within radar measurements. Those signatures allow to follow particle population from their generation (at cloud top) to their disintegration. So this technique offers a new perspective for cloud microphysical evolution studies. Using retrieved profiles of radar moments and spectral information along the fall streaks, microphysical information are estimated leading to a better understanding of the influence of super-cooled liquid layer on ice crystals growth under ambient conditions. A synergetic setup of instruments during the ACCEPT campaign was used to liquid layers within the cloud system. So several type of ice crystal growth processes could be detected and will be presented and discussed.

  5. 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.

  6. Predicting crystal structure by merging data mining with quantum mechanics.

    PubMed

    Fischer, Christopher C; Tibbetts, Kevin J; Morgan, Dane; Ceder, Gerbrand

    2006-08-01

    Modern methods of quantum mechanics have proved to be effective tools to understand and even predict materials properties. An essential element of the materials design process, relevant to both new materials and the optimization of existing ones, is knowing which crystal structures will form in an alloy system. Crystal structure can only be predicted effectively with quantum mechanics if an algorithm to direct the search through the large space of possible structures is found. We present a new approach to the prediction of structure that rigorously mines correlations embodied within experimental data and uses them to direct quantum mechanical techniques efficiently towards the stable crystal structure of materials.

  7. 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

  8. Use of Pom Pons to Illustrate Cubic Crystal Structures.

    ERIC Educational Resources Information Center

    Cady, Susan G.

    1997-01-01

    Describes a method that uses olefin pom pons to illustrate cubic crystal structure. Facilitates hands-on examination of different packing arrangements such as hexagonal close-packed and cubic close-packed structures. (JRH)

  9. 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

  10. Energy benchmarks for water clusters and ice structures from an embedded many-body expansion.

    PubMed

    Gillan, M J; Alfè, D; Bygrave, P J; Taylor, C R; Manby, F R

    2013-09-21

    We show how an embedded many-body expansion (EMBE) can be used to calculate accurate ab initio energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave et al. [J. Chem. Phys. 137, 164102 (2012)], in which the terms in the expansion are obtained from calculations on monomers, dimers, etc., acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order Møller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 mE(h)/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested.

  11. Crystal structure of Clostridium difficile toxin A.

    PubMed

    Chumbler, Nicole M; Rutherford, Stacey A; Zhang, Zhifen; Farrow, Melissa A; Lisher, John P; Farquhar, Erik; Giedroc, David P; Spiller, Benjamin W; Melnyk, Roman A; Lacy, D Borden

    2016-01-01

    Clostridium difficile infection is the leading cause of hospital-acquired diarrhoea and pseudomembranous colitis. Disease is mediated by the actions of two toxins, TcdA and TcdB, which cause the diarrhoea, as well as inflammation and necrosis within the colon(1,2). The toxins are large (308 and 270 kDa, respectively), homologous (47% amino acid identity) glucosyltransferases that target small GTPases within the host(3,4). The multidomain toxins enter cells by receptor-mediated endocytosis and, upon exposure to the low pH of the endosome, insert into and deliver two enzymatic domains across the membrane. Eukaryotic inositol-hexakisphosphate (InsP6) binds an autoprocessing domain to activate a proteolysis event that releases the N-terminal glucosyltransferase domain into the cytosol. Here, we report the crystal structure of a 1,832-amino-acid fragment of TcdA (TcdA1832), which reveals a requirement for zinc in the mechanism of toxin autoprocessing and an extended delivery domain that serves as a scaffold for the hydrophobic α-helices involved in pH-dependent pore formation. A surface loop of the delivery domain whose sequence is strictly conserved among all large clostridial toxins is shown to be functionally important, and is highlighted for future efforts in the development of vaccines and novel therapeutics. PMID:27571750

  12. Crystal structure of Clostridium difficile toxin A

    PubMed Central

    Chumbler, Nicole M.; Rutherford, Stacey A.; Zhang, Zhifen; Farrow, Melissa A.; Lisher, John P.; Farquhar, Erik; Giedroc, David P.; Spiller, Benjamin W.; Melnyk, Roman A.; Lacy, D. Borden

    2016-01-01

    Clostridium difficile infection is the leading cause of hospital-acquired diarrhoea and pseudomembranous colitis. Disease is mediated by the actions of two toxins, TcdA and TcdB, which cause the diarrhoea, as well as inflammation and necrosis within the colon1,2. The toxins are large (308 and 270 kDa, respectively), homologous (47% amino acid identity) glucosyltransferases that target small GTPases within the host3,4. The multidomain toxins enter cells by receptor-mediated endocytosis and, upon exposure to the low pH of the endosome, insert into and deliver two enzymatic domains across the membrane. Eukaryotic inositol-hexakisphosphate (InsP6) binds an autoprocessing domain to activate a proteolysis event that releases the N-terminal glucosyltransferase domain into the cytosol. Here, we report the crystal structure of a 1,832-amino-acid fragment of TcdA (TcdA1832), which reveals a requirement for zinc in the mechanism of toxin autoprocessing and an extended delivery domain that serves as a scaffold for the hydrophobic α-helices involved in pH-dependent pore formation. A surface loop of the delivery domain whose sequence is strictly conserved among all large clostridial toxins is shown to be functionally important, and is highlighted for future efforts in the development of vaccines and novel therapeutics. PMID:27571750

  13. Relationship between temperature and apparent shape of pristine ice crystals derived from polarimetric cloud radar observations during the ACCEPT campaign

    NASA Astrophysics Data System (ADS)

    Myagkov, Alexander; Seifert, Patric; Wandinger, Ulla; Bühl, Johannes; Engelmann, Ronny

    2016-08-01

    This paper presents first quantitative estimations of apparent ice particle shape at the top of liquid-topped clouds. Analyzed ice particles were formed under mixed-phase conditions in the presence of supercooled water and in the temperature range from -20 to -3 °C. The estimation is based on polarizability ratios of ice particles measured by a Ka-band cloud radar MIRA-35 with hybrid polarimetric configuration. Polarizability ratio is a function of the geometrical axis ratio and the dielectric properties of the observed hydrometeors. For this study, 22 cases observed during the ACCEPT (Analysis of the Composition of Clouds with Extended Polarization Techniques) field campaign were used. Polarizability ratios retrieved for cloud layers with the cloud-top temperatures of ˜ -5, ˜ -8, ˜ -15, and ˜ -20 °C were 1.6, 0.9, 0.6, and 0.9, respectively. Such values correspond to prolate, quasi-isotropic, oblate, and quasi-isotropic particles, respectively. Data from a free-fall chamber were used for the comparison. A good agreement of detected apparent shapes with well-known shape-temperature dependencies observed in laboratories was found. Polarizability ratios used for the analysis were estimated for areas located close to the cloud top, where aggregation and riming processes do not strongly affect ice particles. We concluded that, in microwave scattering models, ice particles detected in these areas can be assumed to have pristine shapes. It was also found that even slight variations of ambient conditions at the cloud top with temperatures warmer than ˜ -5 °C can lead to rapid changes of ice crystal shape.

  14. 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.

  15. Anisotropic domain structure of KTiOPO4 crystals

    NASA Astrophysics Data System (ADS)

    Urenski, P.; Lesnykh, M.; Rosenwaks, Y.; Rosenman, G.; Molotskii, M.

    2001-08-01

    Highly anisotropic ferroelectric domain structure is observed in KTiOPO4 (KTP) crystals reversed by low electric field. The applied Miller-Weinreich model for sidewise motion of domain walls indicates that this anisotropy results from the peculiarities of KTP crystal lattice. The domain nuclei of dozen nanometer size, imaged by atomic force microscopy method, demonstrate regular hexagonal forms. The orientation of domain walls of the elementary nuclei coincides with the orientation of the facets of macroscopic KTP crystals. The observed strong domain elongation along one principal crystal axis allows us to improve tailoring of ferroelectric domain engineered structures for nonlinear optical converters.

  16. 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

  17. Imaging ice-like structures formed on HOPG at room temperature.

    PubMed

    Teschke, Omar

    2010-11-16

    In this work, ice was viewed at the nanoscale by scanning an atomic force microscopy tip over a highly oriented pyrolytic graphite (HOPG) surface in air. At low scan velocities, the tip exhibited stick-slip motion with a period of 0.13 nm corresponding to the scanner step; at higher velocities, the HOPG lattice and the periodicity of the ice were visible. A hexagonal structure with a 0.45 ± 0.04 nm periodicity was observed in which the distance between the second neighbors of the HOPG coincided with the distance of the first neighbors for the ice-like arrangement. Small water clusters were also nucleated with an ice-Ic structure (0.34 ± 0.03 nm), and thus, the ice layers consisted of extensive sets composed of arrangements of hexamers and tetramers.

  18. AA-stacked bilayer square ice between graphene layers

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

    Water confined between two graphene layers with a separation of a few Å forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015), 10.1038/nature14295] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice