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Sample records for density amorphous ice

  1. Molecular Dynamical Simulation of Ice Phase Transition: Ice Ih to High-Density Amorphous

    Institute of Scientific and Technical Information of China (English)

    DONG Shun-Le; WANG Yan

    2005-01-01

    @@ We put 5kbar and 12kbar on perfect ice Ih lattice at 77K and 180K. After 30000 simulation steps (in units of 10-15 s), high-density amorphous ice is formed. Four-site simple-pair potential TIP4P is used for molecular interactions and the rigid molecular model is employed. Phase transition processes are fitted by an exponential function, and different phase transition times τ are obtained from O-O radial distribution functions (366 and 359fs for 77K and 180K) and O-O-O angle distribution functions (126 and 116fs for 77K and 180K).

  2. Atypical water lattices and their possible relevance to the amorphous ices: A density functional study

    Directory of Open Access Journals (Sweden)

    David J. Anick

    2013-04-01

    Full Text Available Of the fifteen known crystalline forms of ice, eleven consist of a single topologically connected hydrogen bond network with four H-bonds at every O. The other four, Ices VI–VIII and XV, consist of two topologically connected networks, each with four H-bonds at every O. The networks interpenetrate but do not share H-bonds. This article presents two new periodic water lattice families whose topological connectivity is “atypical”: they consist of many two-dimensional layers that share no H-bonds. Layers are held together only by dispersion forces. Within each layer there are still four H-bonds at each O. Called “Hexagonal Bilayer Water” (HBW and “Pleated Sheet Water” (PSW, they have computed densities of about 1.1 g/mL and 1.3 g/mL respectively, and nearest neighbor O-coordination is 4.5 to 5.5 and 6 to 8 respectively. Using density functional theory (BLYP-D/TZVP, various proton ordered forms of HBW and PSW are optimized and categorized. There are simple pathways connecting Ice-Ih to HBW and HBW to PSW. Their computed properties suggest similarities to the high density and very high density amorphous ices (HDA and VHDA respectively. It is unknown whether HDA, VHDA, and Low Density Amorphous Ice (LDA are fully disordered glasses down to the molecular level, or whether there is some short-range local order. Based on estimated radial distribution functions (RDFs, one proton ordered form of HBW matches HDA best. The idea is explored that HDA could contain islands with this underlying structure, and likewise, that VHDA could contain regions of PSW. A “microlattice model version 1” (MLM1 is presented as a device to compare key experimental data on the amorphous ices with these atypical structures and with a microlattice form of Ice-XI for LDA. Resemblances are found with the amorphs’ RDFs, densities, Raman spectra, and transition behaviors. There is not enough information in the static models to assign either a microlattice structure

  3. Communication: Disorder-suppressed vibrational relaxation in vapor-deposited high-density amorphous ice

    Science.gov (United States)

    Shalit, Andrey; Perakis, Fivos; Hamm, Peter

    2014-04-01

    We apply two-dimensional infrared spectroscopy to differentiate between the two polyamorphous forms of glassy water, low-density (LDA) and high-density (HDA) amorphous ices, that were obtained by slow vapor deposition at 80 and 11 K, respectively. Both the vibrational lifetime and the bandwidth of the 1-2 transition of the isolated OD stretch vibration of HDO in H2O exhibit characteristic differences when comparing hexagonal (Ih), LDA, and HDA ices, which we attribute to the different local structures - in particular the presence of interstitial waters in HDA ice - that cause different delocalization lengths of intermolecular phonon degrees of freedom. Moreover, temperature dependent measurements show that the vibrational lifetime closely follows the structural transition between HDA and LDA phases.

  4. Isotopic quantum effects on the structure of low density amorphous ice

    CERN Document Server

    Urquidi, J; Neuefeind, J; Tomberli, B; Tulk, C A; Guthrie, M; Egelstaff, P A; Klug, D D

    2003-01-01

    Careful neutron diffraction measurements on deuterated low density amorphous (LDA) ice confirm that at 120 K it can be considered a fully 'annealed' structure, as no significant changes are observed in the amorphous spectra until crystallization occurred over time at 130 K. On this basis, the measurement of structural differences between the hydrogenated and deuterated forms of LDA ice at 120 K, have been carried out using 98 keV electromagnetic radiation diffraction techniques. The maximum observed isotope effect in LDA ice is approx 3.4% at 40 K when compared to the magnitude of the first peak in the electronic structure factor at Q = 1.70 A sup - sup 1. This compares to a maximum effect of approx 1.6% previously measured in liquid water at room temperature (Tomberli et al 2000 J. Phys.: Condens. Matter. 12 2597). The isotope effect is shown to be similar to a temperature shift in the structure of light LDA ice. However, the existence of a first sharp diffraction peak at Q = 1.0 A sup - sup 1 in the isotopi...

  5. Isotopic quantum effects on the structure of low density amorphous ice

    Energy Technology Data Exchange (ETDEWEB)

    Urquidi, J [Intense Pulsed Neutron Source Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Benmore, C J [Intense Pulsed Neutron Source Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Neuefeind, J [Intense Pulsed Neutron Source Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Tomberli, B [Department of Physics, University of Guelph, Guelph, ON, N1G 2W1 (Canada); Tulk, C A [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Guthrie, M [Intense Pulsed Neutron Source Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Egelstaff, P A [Department of Physics, University of Guelph, Guelph, ON, N1G 2W1 (Canada); Klug, D D [National Research Council of Canada, Ottawa, ON, K0A 0R6 (Canada)

    2003-06-11

    Careful neutron diffraction measurements on deuterated low density amorphous (LDA) ice confirm that at 120 K it can be considered a fully 'annealed' structure, as no significant changes are observed in the amorphous spectra until crystallization occurred over time at 130 K. On this basis, the measurement of structural differences between the hydrogenated and deuterated forms of LDA ice at 120 K, have been carried out using 98 keV electromagnetic radiation diffraction techniques. The maximum observed isotope effect in LDA ice is {approx} 3.4% at 40 K when compared to the magnitude of the first peak in the electronic structure factor at Q = 1.70 A{sup -1}. This compares to a maximum effect of {approx} 1.6% previously measured in liquid water at room temperature (Tomberli et al 2000 J. Phys.: Condens. Matter. 12 2597). The isotope effect is shown to be similar to a temperature shift in the structure of light LDA ice. However, the existence of a first sharp diffraction peak at Q = 1.0 A{sup -1} in the isotopic difference function is not reproduced in the temperature difference and suggests that additional longer-range correlations are present in the more ordered deuterated form.

  6. Isotopic quantum effects on the structure of low density amorphous ice.

    Energy Technology Data Exchange (ETDEWEB)

    Urquidi, J.; Benmore, C. J.; Neuefeind, J.; Tomberli, B.; Tulk, C. A.; Egelstaff, P. A.; Klug, D.D.; CHM; IPNS; APS-USR

    2003-06-11

    Careful neutron diffraction measurements on deuterated low density amorphous (LDA) ice confirm that at 120 K it can be considered a fully ''annealed'' structure, as no significant changes are observed in the amorphous spectra until crystallization occurred over time at 130 K. On this basis, the measurement of structural differences between the hydrogenated and deuterated forms of LDA ice at 120 K, have been carried out using 98 keV electromagnetic radiation diffraction techniques. The maximum observed isotope effect in LDA ice is {approx} 3.4% at 40 K when compared to the magnitude of the first peak in the electronic structure factor at Q = 1.70 {angstrom}{sup -1}. This compares to a maximum effect of {approx} 1.6% previously measured in liquid water at room temperature (Tomberli et al 2000 J. Phys.: Condens. Matter. 12 2597). The isotope effect is shown to be similar to a temperature shift in the structure of light LDA ice. However, the existence of a first sharp diffraction peak at Q = 1.0 {angstrom}{sup -1} in the isotopic difference function is not reproduced in the temperature difference and suggests that additional longer-range correlations are present in the more ordered deuterated form.

  7. RETRACTED: Neutron scattering and molecular dynamics simulation studies of the phase transition: High-density amorphous ice to low-density amorphous ice

    Science.gov (United States)

    Dong, Shunle; Chen, Zhuo; Wang, Yan

    2010-03-01

    This article has been retracted: please see Elsevier Policy on Article Withdrawal ( http://www.elsevier.com/locate/withdrawalpolicy). This article has been retracted at the request of the Editors of Chemical Physics. A large part of this article (text as well as measured data) has been published previously in Canadian Journal of Physics (Neutron-scattering studies of the phase transitions in high-pressure ices during annealing, by Y. Wang, A.I. Kolesnikov, S.L. Dong, and J.C. Li, Can. J. Phys., 81 (2003) 401-407, doi: 10.1139/p03-045).

  8. Structural Evolution of Compressing Amorphous Ice

    Institute of Scientific and Technical Information of China (English)

    WANG Yan; DONG Shun-Le

    2007-01-01

    Molecular dynamics simulation is employed to study structural evolution during compressing low density amorphous ice from one atmosphere to 2.5 GPa.The calculated results show that high density amorphous ice is formed under intermediate pressure of about 1.0 GPa and O-O-O angle ranges from about 83°to 113°and O-H……O is bent from 112°to 160°.The very high density amorphous ice is also formed under the pressure larger than 1.4 GPa and interstitial molecules are found in 0.3-0.4 (A) just beyond the nearest O-O distance.Low angle O-H……O disappears and it is believed that these hydrogen bonds are broken or re-bonded under high pressures.

  9. Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

    Science.gov (United States)

    Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

    2016-12-14

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

  10. Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

    Science.gov (United States)

    Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

    2016-12-01

    The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

  11. Amorphization of Crystalline Water Ice

    CERN Document Server

    Zheng, Weijun; Kaiser, Ralf I

    2008-01-01

    We conducted a systematic experimental study to investigate the amorphization of crystalline ice by irradiation in the 10-50 K temperature range with 5 keV electrons at a dose of ~140 eV per molecule. We found that crystalline water ice can be converted partially to amorphous ice by electron irradiation. Our experiments showed that some of the 1.65-micrometer band survived the irradiation, to a degree that depends on the temperature, demonstrating that there is a balance between thermal recrystallization and irradiation-induced amorphization, with thermal recrystallizaton dominant at higher temperatures. At 50 K, recrystallization due to thermal effects is strong, and most of the crystalline ice survived. Temperatures of most known objects in the solar system, including Jovian satellites, Saturnian satellites, and Kuiper belt objects, are equal to or above 50 K, this might explain why water ice detected on those objects is mostly crystalline.

  12. Structures of surface and interface of amorphous ice

    Science.gov (United States)

    Kumagai, Yu; Ikeda-Fukazawa, Tomoko

    2017-06-01

    To investigate the surface structure, we performed molecular dynamics calculations of amorphous ice. The result shows that a low density layer, which forms a few hydrogen bonds with weaker strength, exists in the surface. Furthermore, the sintering processes were simulated to investigate the structure of grain boundary formed from the adsorption of two surfaces. The result indicates that a low density region exists in a boundary between amorphous ice grains. The structures of surface and interface of amorphous ice have important implications for adsorption, diffusion, and chemical reaction in ice grains of interstellar molecular clouds.

  13. Structural studies of several distinct metastable forms of amorphous ice.

    Science.gov (United States)

    Tulk, C A; Benmore, C J; Urquidi, J; Klug, D D; Neuefeind, J; Tomberli, B; Egelstaff, P A

    2002-08-23

    Structural changes during annealing of high-density amorphous ice were studied with both neutron and x-ray diffraction. The first diffraction peak was followed from the high- to the low-density amorphous form. Changes were observed to occur through a series of intermediate forms that appear to be metastable at each anneal temperature. Five distinct amorphous forms were studied with neutron scattering, and many more forms may be possible. Radial distribution functions indicate that the structure evolves systematically between 4 and 8 angstroms. The phase transformations in low-temperature liquid water may be much more complex than currently understood.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  15. Polyamorphism in Water: Amorphous Ices and their Glassy States

    Science.gov (United States)

    Amann-Winkel, K.; Boehmer, R.; Fujara, F.; Gainaru, C.; Geil, B.; Loerting, T.

    2015-12-01

    Water is ubiquitous and of general importance for our environment. But it is also known as the most anomalous liquid. The fundamental origin of the numerous anomalies of water is still under debate. An understanding of these anomalous properties of water is closely linked to an understanding of the phase diagram of the metastable non-crystalline states of ice. The process of pressure induced amorphization of ice was first observed by Mishima et al. [1]. The authors pressurized hexagonal ice at 77 K up to a pressure of 1.6 GPa to form high density amorphous ice (HDA). So far three distinct structural states of amorphous water are known [2], they are called low- (LDA), high- (HDA) and very high density amorphous ice (VHDA). Since the discovery of multiple distinct amorphous states it is controversy discussed whether this phenomenon of polyamorphism at high pressures is connected to the occurrence of more than one supercooled liquid phase [3]. Alternatively, amorphous ices have been suggested to be of nanocrystalline nature, unrelated to liquids. Indeed inelastic X-ray scattering measurements indicate sharp crystal-like phonons in the amorphous ices [4]. In case of LDA the connection to the low-density liquid (LDL) was inferred from several experiments including the observation of a calorimetric glass-to-liquid transition at 136 K and ambient pressure [5]. Recently also the glass transition in HDA was observed at 116 K at ambient pressure [6] and at 140 K at elevated pressure of 1 GPa [7], using calorimetric measurements as well as dielectric spectroscopy. We discuss here the general importance of amorphous ices and their liquid counterparts and present calorimetric and dielectric measurements on LDA and HDA. The good agreement between dielectric and calorimetric results convey for a clearer picture of water's vitrification phenomenon. [1] O. Mishima, L. D. Calvert, and E. Whalley, Nature 314, 76, 1985 [2] D.T. Bowron, J. L. Finney, A. Hallbrucker, et al., J. Chem

  16. The Infrared Spectra and Absorption Intensities of Amorphous Ices

    Science.gov (United States)

    Gerakines, Perry A.; Hudson, Reggie L.; Loeffler, Mark

    2016-06-01

    Our research group is carrying out new IR measurements of icy solids relevant to the outer solar system and to the interstellar medium, with an emphasis on amorphous and crystalline ices below ~ 120 K. Our goal is to update and add to the relatively meager literature on this subject and to provide electronic versions of state-of-the-art data, since the abundances of such molecules cannot be deduced without accurate reference spectra and IR band strengths. In the past year, we have focused on three of the simplest and most abundant components of interstellar and solar-system ices: methane (CH4), carbon dioxide (CO2), and methanol (CH3OH). Infrared spectra from ˜ 4500 to 500 cm-1 have been measured for each of these molecules in μm-thick films at temperatures from 10 to 120 K. All known amorphous and crystalline phases have been reproduced and, for some, presented for the first time. We also report measurements of the index of refraction at 670 nm and the mass densities for each ice phase. Comparisons are made to earlier work where possible. Electronic versions of our new results are available at http://science.gsfc.nasa.gov/691/cosmicice/ constants.html.

  17. Amorphous and polycrystalline water ices in space environments

    Science.gov (United States)

    Andrade, Diana; Pilling, Sergio; Da Silveira, Enio; Barros, Ana

    2016-07-01

    Ices are an important reservoir of more complex molecular species in several space environments, containing information about the composition and formation of these regions. Water ice is the dominant constituent of interstellar ices in most lines of sight and is about 70 % of the composition in comets, being a key molecule in astrochemical models. It is believed that one of the reactive species possibly evaporated from the water ices is the hydronium ion, H_{3}O^{+}, which plays an important role in the oxygen chemistry network. This ion has been detected in the lunar surface of Enceladus and Titan, and toward the Sagittarius B2 molecular Clouds, where H_{2}O and OH were also identified. In this work, the ion desorption due to radiolysis in ices constituted by water at three different temperatures (40, 70 and 125 K) is studied, to investigate the different allotropic water ices. A discussion on the rate of H_{3}O^{+} and water delivered to gas phase, as well as the half-life of water ice grains, inside dense molecular clouds considering a constants cosmic ray flux is given. The ions desorbed from water ice have been mass/charge analyzed by a time-of-flight spectrometer. Among the results, it is seen that in the positive ion spectrum of high density amorphous water ice at 40 K the highest desorption yields (ejected ions/impact) correspond to H^{+}, H_{3}O^{+} and clusters formed by (H_{2}O)_{n}R^{+}, where R^{+} is H_{3}O^{+} and 1 ≤ n ≤ 25. At T = 125 K, the ice is in its low density polycrystalline form and new clusters are present, such as (H_{2}O)_{n}R^{+}, where R^{+} is H_{2}^{+} and H_{3}^{+} (for low n), beyond H_{3}O^{+}. Therefore, it is seen that (H_{2}O)_{n}H_{3}O^{+} series (with n between 1 and 25) is dominant in all cases. The H_{3}O^{+} desorption yield at 40 K is about 5times10^{-3} ions/impact. This value is 4-5 times higher than the one obtained at T > 125 K. This behavior is also seen to all series member and consequently to the sum (Yn).

  18. Atomistic and infrared study of CO-water amorphous ice onto olivine dust grain

    Science.gov (United States)

    Escamilla-Roa, Elizabeth; Moreno, Fernando; López-Moreno, J. Juan; Sainz-Díaz, C. Ignacio

    2017-01-01

    This work is a study of CO and H2O molecules as adsorbates that interact on the surface of olivine dust grains. Olivine (forsterite) is present on the Earth, planetary dust, in the interstellar medium (ISM) and in particular in comets. The composition of amorphous ice is very important for the interpretation of processes that occur in the solar system and the ISM. Dust particles in ISM are composed of a heterogeneous mixture of amorphous or crystalline silicates (e.g. olivine) organic material, carbon, and other minor constituents. These dust grains are embedded in a matrix of ices, such as H2O, CO, CO2, NH3, and CH4. We consider that any amorphous ice will interact and grow faster on dust grain surfaces. In this work we explore the adsorption of CO-H2O amorphous ice onto several (100) forsterite surfaces (dipolar and non-dipolar), by using first principle calculations based on density functional theory (DFT). These models are applied to two possible situations: i) adsorption of CO molecules mixed into an amorphous ice matrix (gas mixture) and adsorbed directly onto the forsterite surface. This interaction has lower adsorption energy than polar molecules (H2O and NH3) adsorbed on this surface; ii) adsorption of CO when the surface has previously been covered by amorphous water ice (onion model). In this case the calculations show that adsorption energy is low, indicating that this interaction is weak and therefore the CO can be desorbed with a small increase of temperature. Vibration spectroscopy for the most stable complex was also studied and the frequencies were in good agreement with experimental frequency values.

  19. Dynamics of CO in Amorphous Water Ice Environments

    CERN Document Server

    Karssemeijer, L J; van Hemert, M C; van der Avoird, A; Allodi, M A; Blake, G A; Cuppen, H M

    2013-01-01

    The long-timescale behavior of adsorbed carbon monoxide on the surface of amorphous water ice is studied under dense cloud conditions by means of off-lattice, on-the-fly, kinetic Monte Carlo simula- tions. It is found that the CO mobility is strongly influenced by the morphology of the ice substrate. Nanopores on the surface provide strong binding sites which can effectively immobilize the adsorbates at low coverage. As the coverage increases, these strong binding sites are gradually occupied leav- ing a number of admolecules with the ability to diffuse over the surface. Binding energies, and the energy barrier for diffusion are extracted for various coverages. Additionally, the mobility of CO is determined from isothermal desorption experiments. Reasonable agreement on the diffusivity of CO is found with the simulations. Analysis of the 2152 cm$^{-1}$, polar CO band supports the computational findings that the pores in the water ice provide the strongest binding sites and dominate diffusion at low temperatur...

  20. Stepwise morphological change of porous amorphous ice films observed through adsorption of methane

    Science.gov (United States)

    Horimoto, Noriko; Kato, Hiroyuki S.; Kawai, Maki

    2002-03-01

    Morphological change of amorphous ice films of D2O has been studied through adsorption of methane using thermal desorption spectroscopy (TDS) and infrared reflection absorption spectroscopy under ultrahigh vacuum. The investigated ice films were prepared under several different conditions; first, water (D2O) molecules are evaporated onto a Ru substrate at 25 K, and then subjected to an annealing process at various temperatures prior to methane deposition. On ice annealed at low temperatures, two desorption species of methane were observed in TDS: one was derived from methane adsorbed near the ice surface and the other was attributed to the desorption of methane encapsulated in ice during heating. Only the former species was observed when the annealing temperature exceeded 60 K. This indicates that reconstruction of ice occurs below 60 K, which inhibits the encapsulation of methane molecules from the amorphous ice. On the other hand, infrared spectra of ice covered with methane show that the micropores in ice start to collapse at ˜80 K, and ice becomes pore free at 120 K. We have found that the morphological change of amorphous ice induced by thermal relaxation takes place in a stepwise manner.

  1. X-Ray Absorption Spectra of Amorphous Ices from GW Quasiparticle Calculation

    Science.gov (United States)

    Kong, Lingzhu; Car, Roberto

    2013-03-01

    We use a GW approach[2] to compute the x-ray absorption spectra of model low- and high-density amorphous ice structures(LDA and HDA)[3]. We include the structural effects of quantum zero point motion using colored-noise Langevin molecular dynamics[4]. The calculated spectra differences in the main and post edge region between LDA and HDA agree well with experimental observations. We attribute these differences to the presence of interstitial molecules within the first coordination shell range in HDA. This assignment is further supported by a calculation of the spectrum of ice VIII, a high-pressure structure that maximizes the number of interstitial molecules and, accordingly, shows a much weaker post-edge feature. We further rationalize the spectral similarity between HDA and liquid water, and between LDA and ice Ih in terms of the respective similarities in the H-bond network topology and bond angle distributions. Supported by grants DOE-DE-SC0005180, DOE DE-SC0008626 and NSF-CHE-0956500.

  2. The Metastable Persistence of Vapor-Deposited Amorphous Ice at Anomalously High Temperatures

    Science.gov (United States)

    Blake, David F.; Jenniskens, Peter; DeVincenzi, Donald L. (Technical Monitor)

    1995-01-01

    Studies of the gas release, vaporization behavior and infrared (IR) spectral properties of amorphous and crystalline water ice have direct application to cometary and planetary outgassing phenomena and contribute to an understanding of the physical properties of astrophysical ices. Several investigators report anomalous phenomena related to the warming of vapor-deposited astrophysical ice analogs. However gas release, ice volatilization and IR spectral features are secondary or tertiary manifestations of ice structure or morphology. These observations are useful in mimicking the bulk physical and chemical phenomena taking place in cometary and other extraterrestrial ices but do not directly reveal the structural changes which are their root cause. The phenomenological interpretation of spectral and gas release data is probably the cause of somewhat contradictory explanations invoked to account for differences in water ice behavior in similar temperature regimes. It is the microstructure, micromorphology and microchemical heterogeneity of astrophysical ices which must be characterized if the mechanisms underlying the observed phenomena are to be understood. We have been using a modified Transmission Electron Microscope to characterize the structure of vapor-deposited astrophysical ice analogs as a function of their deposition, temperature history and composition. For the present experiments, pure water vapor is deposited at high vacuum onto a 15 K amorphous carbon film inside an Hitachi H-500H TEM. The resulting ice film (approx. 0.05 micrometers thick) is warmed at the rate of 1 K per minute and diffraction patterns are collected at 1 K intervals. These patterns are converted into radial intensity distributions which are calibrated using patterns of crystalline gold deposited on a small part of the carbon substrate. The small intensity contributed by the amorphous substrate is removed by background subtraction. The proportions of amorphous and crystalline material

  3. Hidden force resolving water ice densities

    CERN Document Server

    Sun, Chang Q

    2013-01-01

    Inter-electron-pair Coulomb repulsion and the thermodynamic-disparity of the master-slave-segmented H bond are shown to originate the density anomalies of water ice. In the liquid and solid phases, the softer non-bond (of lower specific heat) serves as the master that contracts largely and meanwhile forces the stiffer real-bond as slave into Coulomb-repulsion-driven slight elongation, leading to the O-H:O cooling contraction and the seemingly normal cooling densification; at the transition phase, the master-slave swap roles, resulting in the O:-H-O freezing elongation and volume expansion. The O:H-O of ice is longer than that of water, and therefore, ice floats. In addition, angle relaxation also contributes to the volume change during the process of relaxation.

  4. CO diffusion into amorphous H2O ices

    CERN Document Server

    Lauck, Trish; Shulenberger, Katherine; Rajappan, Mahesh; Oberg, Karin I; Cuppen, Herma M

    2015-01-01

    The mobility of atoms, molecules and radicals in icy grain mantles regulate ice restructuring, desorption, and chemistry in astrophysical environments. Interstellar ices are dominated by H2O, and diffusion on external and internal (pore) surfaces of H2O-rich ices is therefore a key process to constrain. This study aims to quantify the diffusion kinetics and barrier of the abundant ice constituent CO into H2O dominated ices at low temperatures (15-23 K), by measuring the mixing rate of initially layered H2O(:CO2)/CO ices. The mixed fraction of CO as a function of time is determined by monitoring the shape of the infrared CO stretching band. Mixing is observed at all investigated temperatures on minute time scales, and can be ascribed to CO diffusion in H2O ice pores. The diffusion coefficient and final mixed fraction depend on ice temperature, porosity, thickness and composition. The experiments are analyzed by applying Fick's diffusion equation under the assumption that mixing is due to CO diffusion into an i...

  5. Sticking of molecules on non-porous amorphous water ice

    CERN Document Server

    He, Jiao; Vidali, Gianfranco

    2016-01-01

    Accurate modeling of physical and chemical processes in the interstellar medium requires detailed knowledge of how atoms and molecule adsorb on dust grains. However, the sticking coefficient, a number between 0 and 1 that measures the first step in the interaction of a particle with a surface, is usually assumed in simulations of ISM environments to be either 0.5 or 1. Here we report on the determination of the sticking coefficient of H$_2$, D$_2$, N$_2$, O$_2$, CO, CH$_4$, and CO$_2$ on non-porous amorphous solid water (np-ASW). The sticking coefficient was measured over a wide range of surface temperatures using a highly collimated molecular beam. We showed that the standard way of measuring the sticking coefficient --- the King-Wells method --- leads to the underestimation of trapping events in which there is incomplete energy accommodation of the molecule on the surface. Surface scattering experiments with the use of a pulsed molecular beam are used instead to measure the sticking coefficient. Based on th...

  6. Quantitative relation between PMSE and ice mass density

    Directory of Open Access Journals (Sweden)

    S. Kirkwood

    2010-06-01

    Full Text Available Radar reflectivities associated with Polar Mesosphere Summer Echoes (PMSE are compared with measurements of ice mass density in the mesopause region. The 54.5 MHz radar Moveable Atmospheric Radar for Antarctica (MARA, located at the Wasa/Aboa station in Antarctica (73° S, 13° W provided PMSE measurements in December 2007 and January 2008. Ice mass density was measured by the Solar Occultation for Ice Experiment (SOFIE. The radar operated continuously during this period but only measurements close to local midnight are used for comparison, to coincide with the local time of the measurements of ice mass density. The radar location is at high geographic latitude but low geomagnetic latitude (61° and the measurements were made during a period of very low solar activity. As a result, background electron densities can be modelled based on solar illumination alone. We find a close correlation between the time and height variations of radar reflectivity and ice mass density, at all PMSE heights, from 80 km up to 95 km. A quantitative expression relating radar reflectivities to ice mass density is found, including an empirical dependence on background electron density. Using this relation, we can use PMSE reflectivities as a proxy for ice mass density, and estimate the daily variation of ice mass density from the daily variation of PMSE reflectivities. According to this proxy, ice mass density is maximum around 05:00–07:00 LT, with lower values around local noon, in the afternoon and in the evening. This is consistent with the small number of previously published measurements and model predictions of the daily variation of noctilucent (mesospheric clouds and in contrast to the daily variation of PMSE, which has a broad daytime maximum, extending from 05:00 LT to 15:00 LT, and an evening-midnight minimum.

  7. Quantitative relation between PMSE and ice mass density

    Energy Technology Data Exchange (ETDEWEB)

    Kirkwood, S.; Belova, E. [Swedish Institute of Space Physics, Kiruna (Sweden); Hervig, M. [GATS Inc., Driggs, ID (United States); Osepian, A. [Polar Geophysical Institute, Murmansk (Russian Federation)

    2010-07-01

    Radar reflectivities associated with Polar Mesosphere Summer Echoes (PMSE) are compared with measurements of ice mass density in the mesopause region. The 54.5MHz radar Moveable Atmospheric Radar for Antarctica (MARA), located at theWasa/Aboa station in Antarctica (73 S, 13 W) provided PMSE measurements in December 2007 and January 2008. Ice mass density was measured by the Solar Occultation for Ice Experiment (SOFIE). The radar operated continuously during this period but only measurements close to local midnight are used for comparison, to coincide with the local time of the measurements of ice mass density. The radar location is at high geographic latitude but low geomagnetic latitude (61 ) and the measurements were made during a period of very low solar activity. As a result, background electron densities can be modelled based on solar illumination alone. We find a close correlation between the time and height variations of radar reflectivity and ice mass density, at all PMSE heights, from 80 km up to 95 km. A quantitative expression relating radar reflectivities to ice mass density is found, including an empirical dependence on background electron density. Using this relation, we can use PMSE reflectivities as a proxy for ice mass density, and estimate the daily variation of ice mass density from the daily variation of PMSE reflectivities. According to this proxy, ice mass density is maximum around 05:00-07:00 LT, with lower values around local noon, in the afternoon and in the evening. This is consistent with the small number of previously published measurements and model predictions of the daily variation of noctilucent (mesospheric) clouds and in contrast to the daily variation of PMSE, which has a broad daytime maximum, extending from 05:00 LT to 15:00 LT, and an evening-midnight minimum. (orig.)

  8. Improved measurement of ice layer density in seasonal snowpacks

    Directory of Open Access Journals (Sweden)

    T. Watts

    2015-11-01

    Full Text Available Ice layers in snowpacks introduce uncertainty in satellite derived estimates of snow water equivalent, have ecological impacts on plants and animals, and change the thermal and vapour transport properties of the snowpack. The microstructure and specifically the density of ice layers is poorly quantified. Here we present a new field method, for measuring the density of ice layers caused by melt or rain-on-snow events. The method was used on 87 ice layer samples in the Canadian Arctic and mid-latitudes; the mean measured ice layer density was 909 ± 18 kg m−3 with a standard deviation of 23 kg m−3, significantly higher than values typically used in the literature.

  9. State transformations and ice nucleation in glassy or (semi-solid amorphous organic aerosol

    Directory of Open Access Journals (Sweden)

    K. J. Baustian

    2012-10-01

    Full Text Available Glassy or amorphous (semi-solid organic aerosol particles have the potential to serve as surfaces for heterogeneous ice nucleation in cirrus clouds. Raman spectroscopy and optical microscopy have been used in conjunction with a cold stage to examine water uptake and ice nucleation on individual aqueous organic glass particles at atmospherically relevant temperatures (200–273 K. Three organic compounds considered proxies for atmospheric secondary organic aerosol (SOA were used in this investigation: sucrose, citric acid and glucose. Internally mixed particles consisting of each organic species and ammonium sulfate were also investigated.

    Results from water uptake experiments were used to construct glass transition curves and state diagrams for each organic and corresponding mixture. A unique glass transition point on each state diagram, Tg', was used to quantify and compare results from this study to previous works. Values of Tg' determined for aqueous sucrose, glucose and citric acid glasses were 236 K, 230 K and 220 K, respectively. Values of Tg' for internally mixed organic/sulfate particles were always significantly lower; 210 K, 207 K and 215 K for sucrose/sulfate, glucose/sulfate and citric acid/sulfate, respectively.

    All investigated organic species were observed to serve as heterogeneous ice nuclei at tropospheric temperatures. Heterogeneous ice nucleation on pure organic particles occurred at Sice=1.1–1.4 for temperatures between 235 K and 200 K. Particles consisting of 1:1 organic-sulfate mixtures remained liquid over a greater range of conditions but were in some cases also observed to depositionally nucleate ice at temperatures below 202 K (Sice=1.25–1.38.

    Glass transition curves constructed from experimental data were incorporated into the Community Aerosol Radiation Model for Atmospheres (CARMA along with the

  10. Energy-level density of amorphous carbon and its modification by the annealing

    CERN Document Server

    Ivanov-Omskij, V I; Tagliaferro, A; Fanchini, G

    2002-01-01

    Annealing influence on the modification of electron density states of amorphous carbon a-C and amorphous hydrogenated carbon a-C:H has been studied. Optical transmission spectra were studied in 1.5-5.6 eV range and ellipsometric angles were measured for He-Ne laser wavelength. The model was suggested of the optical response of amorphous carbon. This model was based on the hypothesis of size fluctuations of sp sup 2 -components of amorphous carbon. The size of the optical gap E sub g for both types of materials was explained in terms of availability of fluctuations of their allotropic content having critical values. The dependence of the density of states of electrons both in fundamental and excited bands on the energy experimental data using model parameters

  11. The influence of mineral matter on the separation of amorphous marine kerogens using density gradient centrifugation

    NARCIS (Netherlands)

    Sinninghe Damsté, J.S.; Hartgers, W.A.; Leeuw, J.W. de; Ling, Y.; Crelling, J.C.

    1995-01-01

    Three relatively immature amorphous marine kerogens were subjected to density gradient centrifugation (DGC). The density fractions obtained were analyzed by Curie-point pyrolysis in combination with gas chromatography (Py-GC) and with gas chromatography-mass spectrometry (Py-GC-MS). Despite the

  12. Effect of particle shape on the random packing density of amorphous solids

    NARCIS (Netherlands)

    Kyrylyuk, A.V.; Philipse, A.P.

    2011-01-01

    The packing density of a particulate solid strongly depends on the shape of the particles that are jammed at random close packing (RCP). To investigate the effect of particle shape on the RCP density of an amorphous solid, we studied jammed packings of binary mixtures of a-thermal or granular sphero

  13. CO2 ice structure and density under Martian atmospheric conditions

    Science.gov (United States)

    Mangan, T. P.; Salzmann, C. G.; Plane, J. M. C.; Murray, B. J.

    2017-09-01

    Clouds composed of CO2 ice form throughout the Martian atmosphere. In the mesosphere, CO2 ice clouds are thought to form via heterogeneous ice nucleation on nanoparticles of meteoric origin at temperatures often below 100 K. Lower altitude CO2 ice clouds in the wintertime polar regions form up to around 145 K and lead to the build-up of the polar ice caps. However, the crystal structure and related fundamental properties of CO2 ice under Martian conditions are poorly characterised. Here we present X-ray diffraction (XRD) measurements of CO2 ice, grown via deposition from the vapour phase under temperature and pressure conditions analogous to the Martian mesosphere. A crystalline cubic structure was determined, consistent with the low-pressure polymorph (CO2-I, space group Pa-3 (No. 205)). CO2 deposited at temperatures of 80-130 K and pressures of 0.01-1 mbar was consistent with dry ice and previous literature measurements, thus removing the possibility of a more complicated phase diagram for CO2 in this region. At 80 K, a lattice parameter of 5.578 ± 0.002 Å, cell volume of 173.554 ± 0.19 Å3 and density of 1.684 ± 0.002 g cm-3 was determined. Using these measurements, we determined the thermal expansion of CO2 across 80-130 K that allowed for a fit of CO2 ice density measurements across a larger temperature range (80-195 K) when combined with literature data (CO2 density = 1.72391 - 2.53 × 10-4T - 2.87 × 10-6 T2). Temperature-dependent CO2 density values are used to estimate sedimentation velocities and heterogeneous ice nucleation rates, showing an increase in nucleation rate of up to a factor of 1000 when compared to commonly used literature values. This temperature-dependent equation of state is therefore suggested for use in future studies of Martian mesospheric CO2 clouds. Finally, we discuss the possible shapes of crystals of CO2 ice in the Martian atmosphere and show that a range of shapes including cubes and octahedra as well as a combination of the

  14. Infrared Spectra and Optical Constants of Astronomical Ices: I. Amorphous and Crystalline Acetylene

    Science.gov (United States)

    Hudson, R. L.; Ferrante, R. F.; Moore, M. H.

    2013-01-01

    Here we report recent measurements on acetylene (C2H2) ices at temperatures applicable to the outer Solar System and the interstellar medium. New near- and mid-infrared data, including optical constants (n, k), absorption coefficients (alpha), and absolute band strengths (A), are presented for both amorphous and crystalline phases of C2H2 that exist below 70 K. Comparisons are made to earlier work. Electronic versions of the data are made available, as is a computer routine to use our reported n and k values to simulate the observed IR spectra. Suggestions are given for the use of the data and a comparison to a spectrum of Makemake is made.

  15. Thon rings from amorphous ice and implications of beam-induced Brownian motion in single particle electron cryo-microscopy.

    Science.gov (United States)

    McMullan, G; Vinothkumar, K R; Henderson, R

    2015-11-01

    We have recorded dose-fractionated electron cryo-microscope images of thin films of pure flash-frozen amorphous ice and pre-irradiated amorphous carbon on a Falcon II direct electron detector using 300 keV electrons. We observe Thon rings [1] in both the power spectrum of the summed frames and the sum of power spectra from the individual frames. The Thon rings from amorphous carbon images are always more visible in the power spectrum of the summed frames whereas those of amorphous ice are more visible in the sum of power spectra from the individual frames. This difference indicates that while pre-irradiated carbon behaves like a solid during the exposure, amorphous ice behaves like a fluid with the individual water molecules undergoing beam-induced motion. Using the measured variation in the power spectra amplitude with number of electrons per image we deduce that water molecules are randomly displaced by a mean squared distance of ∼1.1 Å(2) for every incident 300 keV e(-)/Å(2). The induced motion leads to an optimal exposure with 300 keV electrons of 4.0 e(-)/Å(2) per image with which to observe Thon rings centred around the strong 3.7 Å scattering peak from amorphous ice. The beam-induced movement of the water molecules generates pseudo-Brownian motion of embedded macromolecules. The resulting blurring of single particle images contributes an additional term, on top of that from radiation damage, to the minimum achievable B-factor for macromolecular structure determination.

  16. Moulin density controls drainage development beneath the Greenland ice sheet

    Science.gov (United States)

    Banwell, Alison; Hewitt, Ian; Willis, Ian; Arnold, Neil

    2016-12-01

    Uncertainty remains about how the surface hydrology of the Greenland ice sheet influences its subglacial drainage system, affecting basal water pressures and ice velocities, particularly over intraseasonal and interseasonal timescales. Here we apply a high spatial (200 m) and temporal (1 h) resolution subglacial hydrological model to a marginal (extending 25 km inland), land-terminating, 200 km2 domain in the Paakitsoq region, West Greenland. The model is based on that by Hewitt (2013) but adapted for use with both real topographic boundary conditions and calibrated modeled water inputs. The inputs consist of moulin hydrographs, calculated by a surface routing and lake-filling/draining model, which is forced with distributed runoff from a surface energy-balance model. Results suggest that the areal density of lake-bottom moulins and their timing of opening during the melt season strongly affects subglacial drainage system development. A higher moulin density causes an earlier onset of subglacial channelization (i.e., water transport through channels rather than the distributed sheet), which becomes relatively widespread across the bed, whereas a lower moulin density results in a later onset of channelization that becomes less widespread across the bed. In turn, moulin density has a strong control on spatial and temporal variations in subglacial water pressures, which will influence basal sliding rates, and thus ice motion. The density of active surface-to-bed connections should be considered alongside surface melt intensity and extent in future predictions of the ice sheet's dynamics.

  17. A Comprehensive Study of Hydrogen Adsorbing to Amorphous Water ice: Defining Adsorption in Classical Molecular Dynamics

    Science.gov (United States)

    Dupuy, John L.; Lewis, Steven P.; Stancil, P. C.

    2016-11-01

    Gas-grain and gas-phase reactions dominate the formation of molecules in the interstellar medium (ISM). Gas-grain reactions require a substrate (e.g., a dust or ice grain) on which the reaction is able to occur. The formation of molecular hydrogen (H2) in the ISM is the prototypical example of a gas-grain reaction. In these reactions, an atom of hydrogen will strike a surface, stick to it, and diffuse across it. When it encounters another adsorbed hydrogen atom, the two can react to form molecular hydrogen and then be ejected from the surface by the energy released in the reaction. We perform in-depth classical molecular dynamics simulations of hydrogen atoms interacting with an amorphous water-ice surface. This study focuses on the first step in the formation process; the sticking of the hydrogen atom to the substrate. We find that careful attention must be paid in dealing with the ambiguities in defining a sticking event. The technical definition of a sticking event will affect the computed sticking probabilities and coefficients. Here, using our new definition of a sticking event, we report sticking probabilities and sticking coefficients for nine different incident kinetic energies of hydrogen atoms [5-400 K] across seven different temperatures of dust grains [10-70 K]. We find that probabilities and coefficients vary both as a function of grain temperature and incident kinetic energy over the range of 0.99-0.22.

  18. Amorphous silicon rich silicon nitride optical waveguides for high density integrated optics

    DEFF Research Database (Denmark)

    Philipp, Hugh T.; Andersen, Karin Nordström; Svendsen, Winnie Edith

    2004-01-01

    Amorphous silicon rich silicon nitride optical waveguides clad in silica are presented as a high-index contrast platform for high density integrated optics. Performance of different cross-sectional geometries have been measured and are presented with regards to bending loss and insertion loss...

  19. Amorphous silicon rich silicon nitride optical waveguides for high density integrated optics

    DEFF Research Database (Denmark)

    Philipp, Hugh T.; Andersen, Karin Nordström; Svendsen, Winnie Edith

    2004-01-01

    Amorphous silicon rich silicon nitride optical waveguides clad in silica are presented as a high-index contrast platform for high density integrated optics. Performance of different cross-sectional geometries have been measured and are presented with regards to bending loss and insertion loss....... A sample double ring add-drop filter is presented....

  20. Optical characterization and density of states determination of silicon nanocrystals embedded in amorphous silicon based matrix

    Science.gov (United States)

    van Sebille, M.; Vasudevan, R. A.; Lancee, R. J.; van Swaaij, R. A. C. M. M.; Zeman, M.

    2015-08-01

    We present a non-destructive measurement and simple analysis method for obtaining the absorption coefficient of silicon nanocrystals (NCs) embedded in an amorphous matrix. This method enables us to pinpoint the contribution of silicon NCs to the absorption spectrum of NC containing films. The density of states (DOS) of the amorphous matrix is modelled using the standard model for amorphous silicon while the NCs are modelled using one Gaussian distribution for the occupied states and one for the unoccupied states. For laser annealed a-Si0.66O0.34:H films, our analysis shows a reduction of the NC band gap from approximately 2.34-2.08 eV indicating larger mean NC size for increasing annealing laser fluences, accompanied by a reduction in NC DOS distribution width from 0.28-0.26 eV, indicating a narrower size distribution.

  1. High density near amorphous InSb nanowire arrays and its photo-electric performance

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Ming, E-mail: mfang@issp.ac.cn [Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanostructure, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Tan, Xiaoli [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Liu, Mao, E-mail: mliu@issp.ac.cn [Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanostructure, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Gong, Xinxin; Zhang, Lide; Fei, Guangtao [Key Laboratory of Materials Physics, Anhui Key Laboratory of Nanomaterials and Nanostructure, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2015-03-25

    Highlights: • InSb near amorphous nanowire arrays are successfully fabricated. • The 30 nm diameter nanowire array shows a well infrared photo-electric response, and the reasons are discussed. • The reason for the black color of the InSb semiconductor is discussed. - Abstract: In this paper, we report the fabrication of high density near amorphous InSb nanowire arrays with using 30, 55 and 70 nm diameter anodic alumina oxide (AAO) template by electrodeposition method. The near amorphous structure was proved by combining the results of X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM). Different from the bulk material, these nanowires are black and could not be analyzed by the traditional method, and the reason was discussed. By testing of the photo-electric performance, the 30 nm diameter InSb nanowire showed the best performance, which could be used at about 260 K. The formation of the near amorphous structure was also discussed. Such high density nanoarrays may found potential application in the infrared detection field.

  2. Effective Ice Particle Densities for Cold Anvil Cirrus

    Science.gov (United States)

    Heymsfield, Andrew J.; Schmitt, Carl G.; Bansemer, Aaron; Baumgardner, Darrel; Weinstock, Elliot M.; Smith, Jessica

    2002-01-01

    This study derives effective ice particle densities from data collected from the NASA WB-57F aircraft near the tops of anvils during the Cirrus Regional Study of Tropical Anvils and Cirrus Layers (CRYSTAL) Florida Area Cirrus Experiment (FACE) in southern Florida in July 2002. The effective density, defined as the ice particle mass divided by the volume of an equivalent diameter liquid sphere, is obtained for particle populations and single sizes containing mixed particle habits using measurements of condensed water content and particle size distributions. The mean effective densities for populations decrease with increasing slopes of the gamma size distributions fitted to the size distributions. The population-mean densities range from near 0.91 g/cu m to 0.15 g/cu m. Effective densities for single sizes obey a power-law with an exponent of about -0.55, somewhat less steep than found from earlier studies. Our interpretations apply to samples where particle sizes are generally below 200-300 microns in maximum dimension because of probe limitations.

  3. Brief communication: Improved measurement of ice layer density in seasonal snowpacks

    Science.gov (United States)

    Watts, Tom; Rutter, Nick; Toose, Peter; Derksen, Chris; Sandells, Melody; Woodward, John

    2016-09-01

    The microstructure and density of ice layers in snowpacks is poorly quantified. Here we present a new field method for measuring the density of ice layers caused by melt or rain-on-snow events. The method was used on 87 ice layer samples taken from natural and artificial ice layers in the Canadian Arctic and mid-latitudes. Mean measured ice layer density was 909 ± 28 kg m-3 with a standard deviation of 23 kg m-3, significantly higher than values typically used in the literature.

  4. Density and localized states' impact on amorphous carbon electron transport mechanisms

    Science.gov (United States)

    Caicedo-Dávila, S.; Lopez-Acevedo, O.; Velasco-Medina, J.; Avila, A.

    2016-12-01

    This work discusses the electron transport mechanisms that we obtained as a function of the density of amorphous carbon (a-C) ultra-thin films. We calculated the density of states (total and projected), degree of electronic states' localization, and transmission function using the density functional theory and nonequilibrium Green's functions method. We generated 25 sample a-C structures using ab-initio molecular dynamics within the isothermal-isobaric ensemble. We identified three transport regimes as a function of the density, varying from semimetallic in low-density samples ( ≤2.4 g/cm3) to thermally activated in high-density ( ≥2.9 g/cm3) tetrahedral a-C. The middle-range densities (2.4 g/cm3 ≤ρ≤ 2.9 g/cm3) are characterized by resonant tunneling and hopping transport. Our findings offer a different perspective from the tight-binding model proposed by Katkov and Bhattacharyya [J. Appl. Phys. 113, 183712 (2013)], and agree with experimental observations in low-dimensional carbon systems [see S. Bhattacharyya, Appl. Phys. Lett. 91, 21 (2007)]. Identifying transport regimes is crucial to the process of understanding and applying a-C thin film in electronic devices and electrode coating in biosensors.

  5. The impact of snow depth, snow density and ice density on sea ice thickness retrieval from satellite radar altimetry: results from the ESA-CCI Sea Ice ECV Project Round Robin Exercise

    Science.gov (United States)

    Kern, S.; Khvorostovsky, K.; Skourup, H.; Rinne, E.; Parsakhoo, Z. S.; Djepa, V.; Wadhams, P.; Sandven, S.

    2015-01-01

    We assess different methods and input parameters, namely snow depth, snow density and ice density, used in freeboard-to-thickness conversion of Arctic sea ice. This conversion is an important part of sea ice thickness retrieval from spaceborne altimetry. A data base is created comprising sea ice freeboard derived from satellite radar altimetry between 1993 and 2012 and co-locate observations of total (sea ice + snow) and sea ice freeboard from the Operation Ice Bridge (OIB) and CryoSat Validation Experiment (CryoVEx) airborne campaigns, of sea ice draft from moored and submarine upward looking sonar (ULS), and of snow depth from OIB campaigns, Advanced Microwave Scanning Radiometer (AMSR-E) and the Warren climatology (Warren et al., 1999). We compare the different data sets in spatiotemporal scales where satellite radar altimetry yields meaningful results. An inter-comparison of the snow depth data sets emphasizes the limited usefulness of Warren climatology snow depth for freeboard-to-thickness conversion under current Arctic Ocean conditions reported in other studies. We test different freeboard-to-thickness and freeboard-to-draft conversion approaches. The mean observed ULS sea ice draft agrees with the mean sea ice draft derived from radar altimetry within the uncertainty bounds of the data sets involved. However, none of the approaches are able to reproduce the seasonal cycle in sea ice draft observed by moored ULS. A sensitivity analysis of the freeboard-to-thickness conversion suggests that sea ice density is as important as snow depth.

  6. THE EFFECT OF DIAMETER ON THE MECHANICAL-PROPERTIES OF AMORPHOUS-CARBON FIBERS FROM LINEAR LOW-DENSITY POLYETHYLENE

    NARCIS (Netherlands)

    PENNING, JP; LAGCHER, R; PENNINGS, AJ

    1991-01-01

    The mechanical properties of amorphous carbon fibers, derived from linear low density polyethylene strongly depend on the fibre diameter, which may be attributed to the presence of a skin/core structure in these fibres. High strength carbon fibres could thus be prepared by using thin precursor filam

  7. A Comprehensive Study of Hydrogen Adsorbing to Amorphous Water-Ice: Defining Adsorption in Classical Molecular Dynamics

    CERN Document Server

    Dupuy, John L; Stancil, P C

    2016-01-01

    Gas-grain and gas-phase reactions dominate the formation of molecules in the interstellar medium (ISM). Gas-grain reactions require a substrate (e.g. a dust or ice grain) on which the reaction is able to occur. The formation of molecular hydrogen (H$_2$) in the ISM is the prototypical example of a gas-grain reaction. In these reactions, an atom of hydrogen will strike a surface, stick to it, and diffuse across it. When it encounters another adsorbed hydrogen atom, the two can react to form molecular hydrogen and then be ejected from the surface by the energy released in the reaction. We perform in-depth classical molecular dynamics (MD) simulations of hydrogen atoms interacting with an amorphous water-ice surface. This study focuses on the first step in the formation process; the sticking of the hydrogen atom to the substrate. We find that careful attention must be paid in dealing with the ambiguities in defining a sticking event. The technical definition of a sticking event will affect the computed sticking ...

  8. Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

    Science.gov (United States)

    Morishita, Tetsuya

    2009-05-21

    We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

  9. High critical current densities in bulk MgB{sub 2} fabricated using amorphous boron

    Energy Technology Data Exchange (ETDEWEB)

    Muralidhar, Miryala; Kenta, Nozaki; Murakami, Masato [Superconducting Materials Laboratory, Department of Materials Science and Engineering, Shibaura Institute of Technology, Tokyo 135-8548 (Japan); Koblischka, Michael R. [Institute of Experimental Physics, Saarland University, P.O. Box 151150, 66041 Saarbruecken (Germany)

    2015-10-15

    We prepared bulk MgB{sub 2} from high-purity commercial powders of Mg metal (99.9% purity) and amorphous B (99% purity) powders using a single-step solid state reaction at 775 C for varying sintering duration from 1 to 10 h in pure argon atmosphere. X-ray diffraction analysis showed that all the samples were single phase MgB{sub 2}. The magnetization measurements confirmed a sharp superconducting transition with T{sub c,onset} at around 38.2-38.8 K. The critical current density (J{sub c}) values for the MgB{sub 2} samples produced at 1 h sintering time is the highest one in all processed materials here. Scanning electron microscopy analyses indicated that the sintering time has a crucial influence on the grain size. As a result, the highest J{sub c} value of 270 kA cm{sup -2} at 20 K and self-field was achieved in the sample produced at 775 C for 1 h. Our results clearly demonstrate that the optimization of the sintering conditions is essential to improve the bulk MgB{sub 2} performance. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Science.gov (United States)

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

    2016-08-04

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

  11. Metallic amorphous electrodeposited molybdenum coating from aqueous electrolyte: Structural, electrical and morphological properties under current density

    Energy Technology Data Exchange (ETDEWEB)

    Nemla, Fatima [LEPCM, Department of Physics, University of Batna (Algeria); Cherrad, Djellal, E-mail: cherradphisic@yahoo.fr [Laboratory for Developing New Materials and Their Characterizations, University of Setif (Algeria)

    2016-07-01

    Graphical abstract: - Highlights: • Although difficulties related to electrodeposition of Mo films, we have successfully coated onto a cooper substrate. • A good formation of bcc Mo phase and lattice parameter was very accurate. • It seems that electrical properties of our samples are good and suitable as back contact for thin film solar cells. • It seems that grain size, microstrain and dislocation density are all managed and correlated to retain the resistivity to a considerable minimum value. - Abstract: Molybdenum coatings are extensively utilized as back contact for CIGS-based solar cells. However, their electrodeposition from aqueous electrolyte still sophisticates, since long time, owing to the high reactivity with oxygen. In this study, we present a successful 30 min electrodeposition experiment of somewhat thick (∼0.98–2.9 μm) and of moderate surface roughness RMS (∼47–58 nm), metallic bright Mo coating from aqueous electrolyte containing molybdate ions. XRD analysis and Hall Effect measurements have been used to confirm the presence of Mo. The crystal structure of deposits was slightly amorphous in nature to body centred cubic structure (bcc) Mo (110), (211) and (220) face. Lattice parameters exhibit some weak fluctuated tensile stress when compared to the reference lattice parameter. Additionally, our calculated lattice parameters are in good agreement with some previous works from literature. Discussions on the grain growth prove that they are constrained by grain boundary energy not the thickness effect. Further discussions were made on the electrical resistivity and surface morphology. Resonance scattering of Fermi electrons are expected to contribute towards the variation in the film resistivity through the carrier mobility limitation. However, studied samples might be qualified as candidates for solar cell application.

  12. Molecular dynamics study of ice structural evolution

    Institute of Scientific and Technical Information of China (English)

    Wang Yan; Dong Shun-Le

    2008-01-01

    Molecular dynamics simulation is employed to study the structural evolution of low density amorphous ice during its compression from one atmosphere to 2.5 GPa. Calculated results show that high density amorphous ice is formed at an intermediate pressure of~1.0GPa; the O-O-O bond angle ranges from 83° to 113°, and the O-H...O bond is bent from 112° to 160°. Very high density amorphous ice is obtained by quenching to 80K and decompressing the ice to ambient pressure from 160 K/1.3 GPa or 160 K/1.7 GPa; and the next-nearest O-O length is found to be 0.310 nm, just 0.035 nm beyond the nearest O-O distance of 0.275 nm.

  13. Explaining the Noble Gas Content of the Planets: Theoretical Models for Argon-Trapping by Amorphous Ices in the Solar Nebula

    Science.gov (United States)

    Sanders, C. B.; Ciesla, F.

    2014-12-01

    The composition of planets in the modern solar system can be traced to the chemistry and physics of the solar nebula, the diffuse disk of gas and dust that surrounded the young sun immediately after its formation. Materials such as the noble gases were too volatile to be chemically incorporated by planetary embryos. Instead, it is likely that they were trapped physically and transported to the inner planets by migrating comets and planetesimals. One trapping mechanism under consideration is the capture of noble gas atoms in amorphous ices on the surface of cold grains. We created a simple numerical model to explore this mechanism, using argon as a representative volatile gas. We have demonstrated that our model reproduces experimental trapping efficiencies (ratio of the volatile atoms to water molecules in the deposited ice) when we constrain the binding energy of our representative volatile to 3500-5500K and the sticking efficiency of volatile atoms to 0.004x gas phase water pressure. Binding energy and sticking efficiency are poorly understood for most volatile substances, but this study finds that they are among the most critical when predicting the trapping of volatiles in the physical world. Constraining these parameters under nebular conditions will allow us to evaluate how much argon could have been trapped in nebular ices and ultimately assess the role of amorphous ice trapping in the origin of planetary volatiles.

  14. Developing a bubble number-density paleoclimatic indicator for glacier ice

    Science.gov (United States)

    Spencer, M.K.; Alley, R.B.; Fitzpatrick, J.J.

    2006-01-01

    Past accumulation rate can be estimated from the measured number-density of bubbles in an ice core and the reconstructed paleotemperature, using a new technique. Density increase and grain growth in polar firn are both controlled by temperature and accumulation rate, and the integrated effects are recorded in the number-density of bubbles as the firn changes to ice. An empirical model of these processes, optimized to fit published data on recently formed bubbles, reconstructs accumulation rates using recent temperatures with an uncertainty of 41% (P modeled accumulation-rate estimates require an eventual ???2.02 ?? 0.08 (P < 0.05) bubbles per close-off grain. Bubble number-density in the GRIP (Greenland) ice core is qualitatively consistent with independent estimates for a combined temperature decrease and accumulation-rate increase there during the last 5 kyr.

  15. Thermally driven hopping and electron transport in amorphous materials from density functional calculations

    Energy Technology Data Exchange (ETDEWEB)

    Abtew, Tesfaye A; Drabold, D A [Department of Physics and Astronomy, Ohio University, Athens, OH 45701-2979 (United States)

    2004-11-10

    In this paper we study electron dynamics and transport in models of amorphous silicon and amorphous silicon hydride. By integrating the time-dependent Kohn-Sham equation, we compute the time evolution of electron states near the gap, and study the spatial and spectral diffusion of these states due to lattice motion. We perform these calculations with a view to developing ab initio hopping transport methods. The techniques are implemented with the ab initio local basis code SIESTA, and may be applicable to molecular, biomolecular and other condensed matter systems.

  16. A common supersolid low-density skin sliperizing ice and toughening water surface

    CERN Document Server

    Zhang, Xi; Ma, Zengsheng; Zhou, Yichun; Zheng, Weitao; Zhou, Ji; Sun, Chang Q

    2014-01-01

    Skins of water and ice share the same attribute of supersolidity characterized by the identical H-O vibration frequency of 3450 cm-1. Molecular undercoordination and inter-electron-pair repulsion shortens the H-O bond and lengthen the O:H nonbond, leading to a dual process of nonbonding electron polarization. This relaxation-polarization process enhances the dipole moment, elasticity,viscosity, thermal stability of these skins with 25% density loss, which is responsible for the hydrophobicity and toughness of water skin and for the slippery of ice.

  17. STEM-EELS analysis reveals stable high-density He in nanopores of amorphous silicon coatings deposited by magnetron sputtering.

    Science.gov (United States)

    Schierholz, Roland; Lacroix, Bertrand; Godinho, Vanda; Caballero-Hernández, Jaime; Duchamp, Martial; Fernández, Asunción

    2015-02-20

    A broad interest has been showed recently on the study of nanostructuring of thin films and surfaces obtained by low-energy He plasma treatments and He incorporation via magnetron sputtering. In this paper spatially resolved electron energy-loss spectroscopy in a scanning transmission electron microscope is used to locate and characterize the He state in nanoporous amorphous silicon coatings deposited by magnetron sputtering. A dedicated MATLAB program was developed to quantify the helium density inside individual pores based on the energy position shift or peak intensity of the He K-edge. A good agreement was observed between the high density (∼35-60 at nm(-3)) and pressure (0.3-1.0 GPa) values obtained in nanoscale analysis and the values derived from macroscopic measurements (the composition obtained by proton backscattering spectroscopy coupled to the macroscopic porosity estimated from ellipsometry). This work provides new insights into these novel porous coatings, providing evidence of high-density He located inside the pores and validating the methodology applied here to characterize the formation of pores filled with the helium process gas during deposition. A similar stabilization of condensed He bubbles has been previously demonstrated by high-energy He ion implantation in metals and is newly demonstrated here using a widely employed methodology, magnetron sputtering, for achieving coatings with a high density of homogeneously distributed pores and He storage capacities as high as 21 at%.

  18. Effect of particle surface area on ice active site densities retrieved from droplet freezing spectra

    Science.gov (United States)

    Beydoun, Hassan; Polen, Michael; Sullivan, Ryan C.

    2016-10-01

    Heterogeneous ice nucleation remains one of the outstanding problems in cloud physics and atmospheric science. Experimental challenges in properly simulating particle-induced freezing processes under atmospherically relevant conditions have largely contributed to the absence of a well-established parameterization of immersion freezing properties. Here, we formulate an ice active, surface-site-based stochastic model of heterogeneous freezing with the unique feature of invoking a continuum assumption on the ice nucleating activity (contact angle) of an aerosol particle's surface that requires no assumptions about the size or number of active sites. The result is a particle-specific property g that defines a distribution of local ice nucleation rates. Upon integration, this yields a full freezing probability function for an ice nucleating particle. Current cold plate droplet freezing measurements provide a valuable and inexpensive resource for studying the freezing properties of many atmospheric aerosol systems. We apply our g framework to explain the observed dependence of the freezing temperature of droplets in a cold plate on the concentration of the particle species investigated. Normalizing to the total particle mass or surface area present to derive the commonly used ice nuclei active surface (INAS) density (ns) often cannot account for the effects of particle concentration, yet concentration is typically varied to span a wider measurable freezing temperature range. A method based on determining what is denoted an ice nucleating species' specific critical surface area is presented and explains the concentration dependence as a result of increasing the variability in ice nucleating active sites between droplets. By applying this method to experimental droplet freezing data from four different systems, we demonstrate its ability to interpret immersion freezing temperature spectra of droplets containing variable particle concentrations. It is shown that general

  19. Evaluate the ability of PVP to inhibit crystallization of amorphous solid dispersions by density functional theory and experimental verify.

    Science.gov (United States)

    Wang, Bing; Wang, Dandan; Zhao, Shan; Huang, Xiaobin; Zhang, Jianbin; Lv, Yan; Liu, Xiaocen; Lv, Guojun; Ma, Xiaojun

    2017-01-01

    In this study, we used density functional theory (DFT) to predict polymer-drug interactions, and then evaluated the ability of poly (vinyl pyrrolidone) (PVP) to inhibit crystallization of amorphous solid dispersions by experimental-verification. Solid dispersions of PVP/resveratrol (Res) and PVP/griseofulvin (Gri) were adopted for evaluating the ability of PVP to inhibit crystallization. The density functional theory (DFT) with the B3LYP was used to calculate polymer-drug and drug-drug interactions. Fourier transform infrared spectroscopy (FTIR) was used to confirm hydrogen bonding interactions. Polymer-drug miscibility and drug crystallinity were characterized by the modulated differential scanning calorimetry (MDSC) and X-ray powder diffraction (XRD). The release profiles were studied to investigate the dissolution advantage. DFT results indicated that EPVP-Res>ERes-Res (E: represents hydrogen bonding energy). A strong interaction was formed between PVP and Res. In addition, Fourier transform infrared spectroscopy (FTIR) analysis showed hydrogen bonding formed between PVP and Res, but not between PVP and Gri. MDSC and XRD results suggested that 70-90wt% PVP/Res and PVP/Gri solid dispersions formed amorphous solid dispersions (ASDs). Under the accelerated testing condition, PVP/Res dispersions with higher miscibility quantified as 90/10wt% were more stable than PVP/Gri dispersions. The cumulative dissolution rate of 90wt% PVP/Res dispersions still kept high after 90days storage due to the strong interaction. However, the cumulative dissolution rate of PVP/Gri solid dispersions significantly dropped because of the recrystallization of Gri. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Metallic amorphous electrodeposited molybdenum coating from aqueous electrolyte: Structural, electrical and morphological properties under current density

    Science.gov (United States)

    Nemla, Fatima; Cherrad, Djellal

    2016-07-01

    Molybdenum coatings are extensively utilized as back contact for CIGS-based solar cells. However, their electrodeposition from aqueous electrolyte still sophisticates, since long time, owing to the high reactivity with oxygen. In this study, we present a successful 30 min electrodeposition experiment of somewhat thick (∼0.98-2.9 μm) and of moderate surface roughness RMS (∼47-58 nm), metallic bright Mo coating from aqueous electrolyte containing molybdate ions. XRD analysis and Hall Effect measurements have been used to confirm the presence of Mo. The crystal structure of deposits was slightly amorphous in nature to body centred cubic structure (bcc) Mo (110), (211) and (220) face. Lattice parameters exhibit some weak fluctuated tensile stress when compared to the reference lattice parameter. Additionally, our calculated lattice parameters are in good agreement with some previous works from literature. Discussions on the grain growth prove that they are constrained by grain boundary energy not the thickness effect. Further discussions were made on the electrical resistivity and surface morphology. Resonance scattering of Fermi electrons are expected to contribute towards the variation in the film resistivity through the carrier mobility limitation. However, studied samples might be qualified as candidates for solar cell application.

  1. Ice Lines, Planetesimal Composition and Solid Surface Density in the Solar Nebula

    CERN Document Server

    Robinson, Sarah E; Bodenheimer, Peter; Laughlin, Gregory; Turner, Neal J; Beichman, C A

    2008-01-01

    To date, there is no core accretion simulation that can successfully account for the formation of Uranus or Neptune within the observed 2-3 Myr lifetimes of protoplanetary disks. Since solid accretion rate is directly proportional to the available planetesimal surface density, one way to speed up planet formation is to take a full accounting of all the planetesimal-forming solids present in the solar nebula. By combining a viscously evolving protostellar disk with a kinetic model of ice formation, we calculate the solid surface density in the solar nebula as a function of heliocentric distance and time. We find three effects that strongly favor giant planet formation: (1) a decretion flow that brings mass from the inner solar nebula to the giant planet-forming region, (2) recent lab results (Collings et al. 2004) showing that the ammonia and water ice lines should coincide, and (3) the presence of a substantial amount of methane ice in the trans-Saturnian region. Our results show higher solid surface densitie...

  2. Laboratory measurements of ice tensile strength dependence on density and concentration of silicate and polymer impurities at low temperatures

    Science.gov (United States)

    Litwin, K. L.; Beyeler, J. D.; Polito, P. J.; Zygielbaum, B. R.; Sklar, L. S.; Collins, G. C.

    2009-12-01

    The tensile strength of ice bedrock on Titan should strongly influence the effectiveness of the erosional processes responsible for carving the extensive fluvial drainage networks and other surface features visible in images returned by the Cassini and Huygens probes. Recent measurements of the effect of temperature on the tensile strength of low-porosity, polycrystalline ice, without impurities, suggest that ice bedrock at the Titan surface temperature of 93 K may be as much as five times stronger than ice at terrestrial surface temperatures. However, ice bedrock on Titan and other outer solar system bodies may have significant porosity, and impurities such silicates or polymers are possible in such ices. In this laboratory investigation we are exploring the dependence of tensile strength on the density and concentration of impurities, for polycrystalline ice across a wide range of temperatures. We use the Brazilian tensile splitting test to measure strength, and control temperature with dry ice and liquid nitrogen. The 50 mm diameter ice cores are made from a log-normally distributed seed crystal mixture with a median size of 1.4 mm. To control ice density and porosity we vary the packing density of the seed grains in core molds and vary the degree of saturation of the matrix with added near-freezing distilled water. We also vary ice density by blending in a similarly-sized mixture of angular fragments of two types of impurities, a fine-grained volcanic rock and a polyethylene polymer. Because both types of impurities have greater tensile strength than ice at Earth surface temperatures, we expect higher concentrations of impurities to correlate with increased strength for ice-rock and ice-polymer mixtures. However, at the ultra-cold temperatures of the outer planets, we expect significant divergence in the temperature dependence of ice tensile strength for the various mixtures and resulting densities. These measurements will help constrain the range of possible

  3. A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania

    Directory of Open Access Journals (Sweden)

    Sergei Manzhos

    2015-02-01

    Full Text Available We present a comparative density functional tight binding study of an organic molecule attachment to TiO2 via a carboxylic group, with the example of acetic acid. For the first time, binding to low-energy surfaces of crystalline anatase (101, rutile (110 and (B-TiO2 (001, as well as to the surface of amorphous (a- TiO2 is compared with the same computational setup. On all surfaces, bidentate configurations are identified as providing the strongest adsorption energy, Eads = −1.93, −2.49 and −1.09 eV for anatase, rutile and (B-TiO2, respectively. For monodentate configurations, the strongest Eads = −1.06, −1.11 and −0.86 eV for anatase, rutile and (B-TiO2, respectively. Multiple monodentate and bidentate configurations are identified on a-TiO2 with a distribution of adsorption energies and with the lowest energy configuration having stronger bonding than that of the crystalline counterparts, with Eads up to −4.92 eV for bidentate and −1.83 eV for monodentate adsorption. Amorphous TiO2 can therefore be used to achieve strong anchoring of organic molecules, such as dyes, that bind via a -COOH group. While the presence of the surface leads to a contraction of the band gap vs. the bulk, molecular adsorption caused no appreciable effect on the band structure around the gap in any of the systems.

  4. The Style of Density Stratification In The Mantle and True Polar Wander Induced By Ice Loading

    Science.gov (United States)

    Sabadini, R.; Marotta, A. M.; de Franco, R.; Vermeersen, L. L. A.

    The present day velocity of true polar wander (TPW) and the displacement of the axis of rotation of the Earth in response to ice ages, resulting from stratified, viscoelastic Earth models, are sensitive to the non adiabatic density gradient in the mantle. Previ- ous studies, based on a fully non adiabatic, or chemically stratified mantle, overesti- mated the present day TPW for lower mantle viscosities 1021-1022 Pa s. For a density profile in agreement with the reference seismological model, where non adiabaticity is confined to the transition zone between 420 and 670 km, with the remanent mantle fully adiabatic, the present day TPW is 0.65-0.9 Deg/Myr, substantially lower than the 3.0 Deg/Myr obtained for the chemical mantle, due to the lack of isostatic restor- ing force in the adiabatic mantle, or global reduction of the buoyancy, that favours the attainment of a situation of rotational equilibrium. The correctness of this physi- cal interpretation is demonstrated by the behaviour of a fully adiabatic phase change that can be satisfactorily reproduced by deleting the buoyancy restoring modes due to chemical density jumps. The reduction of present day TPW induced by the Pleis- tocenic deglaciation, for a realistically stratified mantle with non adiabatic density gradients due to phase changes localized in the transition zone, impacts the inversion of the lower mantle viscosity, characterized by two best fit values in proximity of 1021 Pa s and 1022 Pa s, resembling the behaviour of the time derivative of the degree two component of the gravity field. The reduction of present day TPW suggests that other mechanisms, such as present day ice mass instability in Antarctica and Greenland, are presently at work to maintain the drift of 0.9 Deg/Myr of the axis of rotaton towards Newfoundland. The secular drift of the adiabatic mantle model during the continuous occurrence of ice ages is increased by the fifty per cent with respect to the chemically stratified one

  5. A Multi-Moment Bulkwater Ice Microphysics Scheme with Consideration of the Adaptive Growth Habit and Apparent Density for Pristine Ice in the WRF Model

    Science.gov (United States)

    Tsai, T. C.; Chen, J. P.; Dearden, C.

    2014-12-01

    The wide variety of ice crystal shapes and growth habits makes it a complicated issue in cloud models. This study developed the bulk ice adaptive habit parameterization based on the theoretical approach of Chen and Lamb (1994) and introduced a 6-class hydrometeors double-moment (mass and number) bulk microphysics scheme with gamma-type size distribution function. Both the proposed schemes have been implemented into the Weather Research and Forecasting model (WRF) model forming a new multi-moment bulk microphysics scheme. Two new moments of ice crystal shape and volume are included for tracking pristine ice's adaptive habit and apparent density. A closure technique is developed to solve the time evolution of the bulk moments. For the verification of the bulk ice habit parameterization, some parcel-type (zero-dimension) calculations were conducted and compared with binned numerical calculations. The results showed that: a flexible size spectrum is important in numerical accuracy, the ice shape can significantly enhance the diffusional growth, and it is important to consider the memory of growth habit (adaptive growth) under varying environmental conditions. Also, the derived results with the 3-moment method were much closer to the binned calculations. A field campaign of DIAMET was selected to simulate in the WRF model for real-case studies. The simulations were performed with the traditional spherical ice and the new adaptive shape schemes to evaluate the effect of crystal habits. Some main features of narrow rain band, as well as the embedded precipitation cells, in the cold front case were well captured by the model. Furthermore, the simulations produced a good agreement in the microphysics against the aircraft observations in ice particle number concentration, ice crystal aspect ratio, and deposition heating rate especially within the temperature region of ice secondary multiplication production.

  6. Phobos low density: are macroporosity and/or water ice 'condiciones sine quibus non'?

    Science.gov (United States)

    Pajola, Maurizio; Lazzarin, Monica; Dalle Ore, Cristina; Cruikshank, Dale; Roush, Ted; Pendleton, Yvonne; Bertini, Ivano; Magrin, Sara; La Forgia, Fiorangela; Barbieri, Cesare

    2014-05-01

    In this work we present a new approach to the study of the interior structure of Phobos. The low density of Phobos (1.876 ± 0.02 g/cm3, Witasse et al., 2013) has been repeatedly used in the past as the possible evidence for the in situ formation scenarios, as the re-accretion of debris blasted into Mars' orbit by the collision between Mars and a large body (Craddock 1994, 2011) or the formation from a debris disk left over from the formation of Mars (Safronov 1986). As often presented in the literature, the resulting re-accreted body would then contain large voids in its interior, suggesting at least a macroporosity of 30 ± 5% (Andert et al., 2010). The use of different values of macroporosity supports several kinds of rock material constituting Phobos, without compromising its measured low density. Following Rosenblatt (2011) equations, a porosity range between 25% and 35% would justify the presence of mineralogical material on Phobos with a density range between 2.50 g/cm3 and 2.88 g/cm3. Alternatively, the low density of Phobos has been explained by including water ice as part of its composition (0.97 g/cm3, Fanale et al., 1989, 1990): the problem of this approach is that no evidence of water ice spectral features have yet been observed (Rosenblatt 2011) on the surface of Phobos even if some content of water ice below the surface cannot be a priori excluded. A third viable solution, as presented by Rosenblatt (2011), could be a mixture of the above mentioned macroporosity and water ice content, as also presented in Paetzold et al., 2013. However, it is not yet possible to distinguish between a homogeneous and heterogeneous case for the internal structure of Phobos (Paetzold et al., 2012, 2013 and Witasse et al., 2013). In fact, the corresponding error bar of the C20 gravity coefficient of Phobos measured from the closest Mars Express flyby at Phobos on 3rd March 2010 at a distance of 77 km, is still consistent with both a homogeneous as well as an

  7. Problems in obtaining perfect images by single-particle electron cryomicroscopy of biological structures in amorphous ice

    OpenAIRE

    Henderson, Richard; McMullan, Greg

    2013-01-01

    Theoretical considerations together with simulations of single-particle electron cryomicroscopy images of biological assemblies in ice demonstrate that atomic structures should be obtainable from images of a few thousand asymmetric units, provided the molecular weight of the whole assembly being studied is greater than the minimum needed for accurate position and orientation determination. However, with present methods of specimen preparation and current microscope and detector...

  8. Mass balance of the Greenland ice sheet - a study of ICESat data, surface density and firn compaction modelling

    DEFF Research Database (Denmark)

    Sørensen, L. S.; Simonsen, Sebastian Bjerregaard; Nielsen, K.;

    2010-01-01

    in estimating the mass balance of the Greenland ice sheet. We find firn dynamics and surface densities to be important factors in deriving the mass loss from remote sensing altimetry. The volume change derived from ICESat data is corrected for firn compaction, vertical bedrock movement and an intercampaign...... elevation bias in the ICESat data. Subsequently, the corrected volume change is converted into mass change by surface density modelling. The firn compaction and density models are driven by a dynamically downscaled simulation of the HIRHAM5 regional climate model using ERA-Interim reanalysis lateral......ICESat has provided surface elevation measurements of the ice sheets since the launch in January 2003, resulting in a unique data set for monitoring the changes of the cryosphere. Here we present a novel method for determining the mass balance of the Greenland ice sheet derived from ICESat...

  9. Electron Density Dropout Near Enceladus in the Context of Water-Vapor and Water-Ice

    Science.gov (United States)

    Farrell, W. M.; Kurth, W. S.; Gurnett, D. A.; Johnson, R. E.; Kaiser, M. L.; Wahlund, J.-E.; Waite, J. H., Jr.

    2009-01-01

    On 12 March 2008, the Cassini spacecraft made a close encounter with the Saturnian moon Enceladus, passing within 52 km of the moon. The spacecraft trajectory was intentionally-oriented in a southerly direction to create a close alignment with the intense water-dominated plumes emitted from the south polar region. During the passage, the Cassini Radio and Plasma Wave System (RPWS) detected two distinct radio signatures: 1) Impulses associated with small water-ice dust grain impacts and 2) an upper hybrid (UH) resonance emission that both intensified and displayed a sharp frequency decrease in the near-vicinity of the moon. The frequency decrease of the UH emission is associated with an unexpectedly sharp decrease in electron density from approximately 90 el/cubic cm to below 20 el/cubic cm that occurs on a time scale of a minute near the closest encounter with the moon. In this work, we consider a number of scenarios to explain this sharp electron dropout, but surmise that electron absorption by ice grains is the most likely process.

  10. Erosion and entrainment of snow and ice by pyroclastic density currents: some outstanding questions (Invited)

    Science.gov (United States)

    Walder, J. S.

    2010-12-01

    a hot grain flow over snow, although improperly scaled for investigating erosive processes, does demonstrate that snow hydrology and snowpack stability may be critical in the transformation of pyroclastic density currents to lahars. When such an experiment is run in a sloping flume, with meltwater able to drain freely at the base of the snow layer, the hot grain flow spreads over the snow surface and then comes to rest--no slurry is produced. In contrast, if meltwater drainage is blocked, the wet snow layer fails at its bed, mobilizes as a slush flow, and mixes with the hot grains to form a slurry. Ice layers within a natural snowpack would likewise block meltwater drainage and be conducive to the formation of slush flows. Abrasion and particle impacts—processes that have been studied intensively by engineers concerned with the wear of surfaces in machinery—probably play an important role in the erosion of glacier ice by pyroclastic density currents. A prime example may be the summit ice cap of Nevado del Ruiz, Colombia, which was left grooved by the eruption of 1985 (Thouret, J. Volcanol. Geotherm. Res., v. 41, 1990). Erosion of glacier ice is also strongly controlled by the orientation of crevasses, which can “capture” pyroclastic currents. This phenomenon was well displayed at Mount Redoubt, Alaska during the eruptions of 1989-90 and 2009.

  11. Infrared Spectra and Band Strengths of Amorphous and Crystalline N2O

    Science.gov (United States)

    Hudson, R. L.; Loeffler, M. J.; Gerakines, P. A.

    2017-01-01

    Infrared transmission spectra from 4000 to 400 cm (exp -1), and associated band strengths and absorption coefficients, are presented for the first time for both amorphous and crystalline N2O. Changes in the spectra as a function of ice thickness and ice temperature are shown. New measurements of density, refractive index, and specific refraction are reported for amorphous and crystalline N2O. Comparisons are made to published results, and the most-likely reason for some recent disagreements in the literature is discussed. As with CO2, its isoelectronic congener, the formation of amorphous N2O is found to require greater care than the formation of amorphous solids from more-polar molecules.

  12. Mass balance of the Greenland ice sheet – a study of ICESat data, surface density and firn compaction modelling

    Directory of Open Access Journals (Sweden)

    L. S. Sørensen

    2010-10-01

    Full Text Available ICESat has provided surface elevation measurements of the ice sheets since the launch in January 2003, resulting in a unique data set for monitoring the changes of the cryosphere. Here we present a novel method for determining the mass balance of the Greenland ice sheet derived from ICESat altimetry data.

    Four different methods for deriving the elevation changes from the ICESat altimetry data set are used. This multi method approach gives an understanding of the complexity associated with deriving elevation changes from the ICESat altimetry data set.

    The altimetry can not stand alone in estimating the mass balance of the Greenland ice sheet. We find firn dynamics and surface densities to be important factors in deriving the mass loss from remote sensing altimetry. The volume change derived from ICESat data is corrected for firn compaction, vertical bedrock movement and an intercampaign elevation bias in the ICESat data. Subsequently, the corrected volume change is converted into mass change by surface density modelling. The firn compaction and density models are driven by a dynamically downscaled simulation of the HIRHAM5 regional climate model using ERA-Interim reanalysis lateral boundary conditions.

    We find an annual mass loss of the Greenland ice sheet of 210 ± 21 Gt yr−1 in the period from October 2003 to March 2008. This result is in good agreement with other studies of the Greenland ice sheet mass balance, based on different remote sensing techniques.

  13. Kepler-68: Three Planets, One With a Density Between That of Earth and Ice Giants

    CERN Document Server

    Gilliland, Ronald L; Rowe, Jason F; Rogers, Leslie; Torres, Guillermo; Fressin, Francois; Lopez, Eric D; Buchhave, Lars A; Christensen-Dalsgaard, Joergen; Desert, Jean-Michel; Isaacson, Howard; Jenkins, Jon M; Lissauer, Jack L; Chaplin, William J; Basu, Sarbani; Metcalfe, Travis S; Elsworth, Yvonne; Handberg, Rasmus; Hekker, Saskia; Huber, Daniel; Karoff, Christoffer; Kjeldsen, Hans; Lund, Mikkel N; Lundkvist, Mia; Miglio, Andrea; Charbonneau, David; Ford, Eric B; Fortney, Jonathan J; Haas, Michael R; Howard, Andrew W; Howell, Steve B; Ragozzine, Darin; Thompson, Susan E

    2013-01-01

    NASA's Kepler Mission has revealed two transiting planets orbiting Kepler-68. Follow-up Doppler measurements have established the mass of the innermost planet and revealed a third jovian-mass planet orbiting beyond the two transiting planets. Kepler-68b, in a 5.4 day orbit has mass 8.3 +/- 2.3 Earth, radius 2.31 +/- 0.07 Earth radii, and a density of 3.32 +/- 0.92 (cgs), giving Kepler-68b a density intermediate between that of the ice giants and Earth. Kepler-68c is Earth-sized with a radius of 0.953 Earth and transits on a 9.6 day orbit; validation of Kepler-68c posed unique challenges. Kepler-68d has an orbital period of 580 +/- 15 days and minimum mass of Msin(i) = 0.947 Jupiter. Power spectra of the Kepler photometry at 1-minute cadence exhibit a rich and strong set of asteroseismic pulsation modes enabling detailed analysis of the stellar interior. Spectroscopy of the star coupled with asteroseismic modeling of the multiple pulsation modes yield precise measurements of stellar properties, notably Teff = ...

  14. Dopant selection for control of charge carrier density and mobility in amorphous indium oxide thin-film transistors: Comparison between Si- and W-dopants

    Science.gov (United States)

    Mitoma, Nobuhiko; Aikawa, Shinya; Ou-Yang, Wei; Gao, Xu; Kizu, Takio; Lin, Meng-Fang; Fujiwara, Akihiko; Nabatame, Toshihide; Tsukagoshi, Kazuhito

    2015-01-01

    The dependence of oxygen vacancy suppression on dopant species in amorphous indium oxide (a-InOx) thin film transistors (TFTs) is reported. In a-InOx TFTs incorporating equivalent atom densities of Si- and W-dopants, absorption of oxygen in the host a-InOx matrix was found to depend on difference of Gibbs free energy of the dopants for oxidation. For fully oxidized films, the extracted channel conductivity was higher in the a-InOx TFTs containing dopants of small ionic radius. This can be explained by a reduction in the ionic scattering cross sectional area caused by charge screening effects.

  15. Nucleation of Ice

    Science.gov (United States)

    Molinero, Valeria

    2009-03-01

    The freezing of water into ice is a ubiquitous transformation in nature, yet the microscopic mechanism of homogeneous nucleation of ice has not yet been elucidated. One of the reasons is that nucleation happens in time scales that are too fast for an experimental characterization and two slow for a systematic study with atomistic simulations. In this work we use coarse-grained molecular dynamics simulations with the monatomic model of water mW[1] to shed light into the mechanism of homogeneous nucleation of ice and its relationship to the thermodynamics of supercooled water. Cooling of bulk water produces either crystalline ice or low- density amorphous ice (LDA) depending on the quenching rate. We find that ice crystallization occurs faster at temperatures close to the liquid-liquid transition, defined as the point of maximum inflection of the density with respect to the temperature. At the liquid-liquid transition, the time scale of nucleation becomes comparable to the time scale of relaxation within the liquid phase, determining --effectively- the end of the metastable liquid state. Our results imply that no ultraviscous liquid water can exist at temperatures just above the much disputed glass transition of water. We discuss how the scenario is changed when water is in confinement, and the relationship of the mechanism of ice nucleation to that of other liquids that present the same phase behavior, silicon [2] and germanium [3]. [4pt] [1] Molinero, V. & Moore, E. B. Water modeled as an intermediate element between carbon and silicon. Journal of Physical Chemistry B (2008). Online at http://pubs.acs.org/cgi- bin/abstract.cgi/jpcbfk/asap/abs/jp805227c.html [0pt] [2] Molinero, V., Sastry, S. & Angell, C. A. Tuning of tetrahedrality in a silicon potential yields a series of monatomic (metal-like) glass formers of very high fragility. Physical Review Letters 97, 075701 (2006).

  16. Effects of low-temperature (120 °C) annealing on the carrier concentration and trap density in amorphous indium gallium zinc oxide thin film transistors

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae-sung; Piao, Mingxing; Jang, Ho-Kyun; Kim, Gyu-Tae, E-mail: gtkim@korea.ac.kr [School of Electrical Engineering, Korea University, Seoul 136-701 (Korea, Republic of); Oh, Byung Su [School of Electrical Engineering, Korea University, Seoul 136-701 (Korea, Republic of); Samsung Display Company, Yongin (Korea, Republic of); Joo, Min-Kyu [School of Electrical Engineering, Korea University, Seoul 136-701 (Korea, Republic of); IMEP-LAHC, Grenoble INP, Minatec, CS 50257, 38016 Grenoble (France); Ahn, Seung-Eon [School of Electrical Engineering, Korea University, Seoul 136-701 (Korea, Republic of); Samsung Advanced Institute of Technology, Samsung Electronics Corporations, Yongin 446-712 (Korea, Republic of)

    2014-12-28

    We report an investigation of the effects of low-temperature annealing on the electrical properties of amorphous indium gallium zinc oxide (a-IGZO) thin-film transistors (TFTs). X-ray photoelectron spectroscopy was used to characterize the charge carrier concentration, which is related to the density of oxygen vacancies. The field-effect mobility was found to decrease as a function of the charge carrier concentration, owing to the presence of band-tail states. By employing the transmission line method, we show that the contact resistance did not significantly contribute to the changes in device performance after annealing. In addition, using low-frequency noise analyses, we found that the trap density decreased by a factor of 10 following annealing at 120 °C. The switching operation and on/off ratio of the a-IGZO TFTs improved considerably after low-temperature annealing.

  17. PMSE observations with the EISCAT VHF- and UHF-radars: Ice particles and their effect on ambient electron densities

    Science.gov (United States)

    Li, Qiang; Rapp, Markus

    2013-11-01

    It is now well understood that the occurrence of PMSE is closely connected to the presence of ice particles. These ice particles modify the ambient electron density by electron attachment which occasionally leads to large electron density depletions which have also been called ‘biteouts’. There has been some debate in the literature regarding the relative depth of such depletions which is usually expressed by the parameter Λ=|ZA|NA/ne. Here, |ZA|NA is the charge number density of ice particles and ne is the electron density. In this paper, we present, for the first time, the statistical distribution of Λ using measurements with the EISCAT VHF- and UHF-radars. Based on 25 h of simultaneous observations, we derived a total of 757 Λ values based on 15 min of data each. In each of these cases, PMSE were observed with the EISCAT VHF-radar but not with the UHF-radar and the UHF-measurement were hence used to determine the electron density profile. From these 757 cases, there are 699 cases with Λ⪡1, and only 33 cases with Λ>0.5 (21 cases with Λ>1). A correlation analysis of Λ versus PMSE volume reflectivities further reveals that there is no strong dependence between the two parameters. This is in accordance with current PMSE-theory based on turbulence in combination with a large Schmidt-number. The maxima of Λ from each profile show a negative relationship with the undisturbed electron densities deduced at the same altitudes. This reveals that the variability of Λ mainly depends on the variability of the electron densities. In addition, variations of aerosol number densities may also play a role. Although part of the observations were conducted during the HF heating experiments, the so-called overshoot effects did not significantly bias our statistical results. In order to avoid missing biteouts because of a superposition of coherent and incoherent scatter in the UHF-data, we finally calculated spectral parameters n by applying a simple fit to auto

  18. Thermodynamics of homogeneous nucleation of ice particles in the polar summer mesosphere

    Directory of Open Access Journals (Sweden)

    A. Y. Zasetsky

    2008-07-01

    Full Text Available We present the hypothesis of homogeneous nucleation of ice nano-particles in the polar summer mesosphere. The nucleation of condensed phase is traced back to the first step on the formation pathway, which is assumed to be the transition of water vapor to amorphous cluster. Amorphous clusters then freeze into water ice, likely metastable cubic ice, when they reach the critical size. The estimates based on the equilibrium thermodynamics give the critical size (radius of amorphous water clusters as about 1.0 nm. The same estimates for the final transition step, that is the transformation of cubic to hexagonal ice, give the critical size of about 15 nm at typical upper mesospheric conditions during the polar summer (temperature T=150 K, water vapor density ρvapor=109 cm−3.

  19. KEPLER-68: THREE PLANETS, ONE WITH A DENSITY BETWEEN THAT OF EARTH AND ICE GIANTS

    Energy Technology Data Exchange (ETDEWEB)

    Gilliland, Ronald L. [Department of Astronomy, and Center for Exoplanets and Habitable Worlds, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); Marcy, Geoffrey W.; Isaacson, Howard [Department of Astronomy, University of California, Berkeley, CA 94720 (United States); Rowe, Jason F.; Henze, Christopher E.; Lissauer, Jack J. [NASA Ames Research Center, Moffett Field, CA 94035 (United States); Rogers, Leslie [California Institute of Technology, Pasadena, CA 91125 (United States); Torres, Guillermo; Fressin, Francois; Desert, Jean-Michel [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Lopez, Eric D. [University of California, Santa Cruz, CA 95064 (United States); Buchhave, Lars A. [Niels Bohr Institute, Copenhagen University (Denmark); Christensen-Dalsgaard, Jorgen; Handberg, Rasmus [Stellar Astrophysics Centre, Department of Physics and Astronomy, DK-8000 Aarhus C (Denmark); Jenkins, Jon M. [SETI Institute/NASA Ames Research Center, Moffett Field, CA 94035 (United States); Chaplin, William J.; Elsworth, Yvonne [School of Physics and Astronomy, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Basu, Sarbani [Department of Astronomy, Yale University, 260 Whitney Ave., New Haven, CT 06511 (United States); Metcalfe, Travis S. [White Dwarf Research Corporation, Boulder, CO 80301 (United States); Hekker, Saskia, E-mail: gillil@stsci.edu [Astronomical Institute Anton Pannekoek, University of Amsterdam, 1098 XH Amsterdam, Science Park 904 (Netherlands); and others

    2013-03-20

    NASA's Kepler Mission has revealed two transiting planets orbiting Kepler-68. Follow-up Doppler measurements have established the mass of the innermost planet and revealed a third Jovian-mass planet orbiting beyond the two transiting planets. Kepler-68b, in a 5.4 day orbit, has M{sub P}=8.3{sup +2.2}{sub -2.4} M{sub Circled-Plus }, R{sub P}=2.31{sup +0.06}{sub -0.09} R{sub Circled-Plus }, and {rho}{sub P}=3.32{sup +0.86}{sub -0.98} g cm{sup -3}, giving Kepler-68b a density intermediate between that of the ice giants and Earth. Kepler-68c is Earth-sized, with a radius R{sub P}=0.953{sup +0.037}{sub -0.042} R{sub Circled-Plus} and transits on a 9.6 day orbit; validation of Kepler-68c posed unique challenges. Kepler-68d has an orbital period of 580 {+-} 15 days and a minimum mass of M{sub P}sin i = 0.947 {+-} 0.035M{sub J} . Power spectra of the Kepler photometry at one minute cadence exhibit a rich and strong set of asteroseismic pulsation modes enabling detailed analysis of the stellar interior. Spectroscopy of the star coupled with asteroseismic modeling of the multiple pulsation modes yield precise measurements of stellar properties, notably T{sub eff} = 5793 {+-} 74 K, M{sub *} = 1.079 {+-} 0.051 M{sub Sun }, R{sub *} = 1.243 {+-} 0.019 R{sub Sun }, and {rho}{sub *} = 0.7903 {+-} 0.0054 g cm{sup -3}, all measured with fractional uncertainties of only a few percent. Models of Kepler-68b suggest that it is likely composed of rock and water, or has a H and He envelope to yield its density {approx}3 g cm{sup -3}.

  20. Vibration properties of low-fraction hydrogen in deuterium ices

    Institute of Scientific and Technical Information of China (English)

    Wang Ya; Dong Shun-Le

    2005-01-01

    Inelastic incoherent neutron scattering spectra of D2O high-density amorphous (hda) ice, ice-Ⅷ and ice-Ⅱ mixed with small amount of H2O (<5%) have been measured recently on high-energy transfer spectrometer at Rutherford Appleton Laboratory (UK). The hydrogen atom on D2O ice lattices has three distinguished vibrational modes, two bending at low frequencies and one stretching at high frequencies, and their frequencies are slightly different for different phases of ice. It was found that the lower one of the bending modes is located at ~95 meV for hda-ice, at ~95 meV for ice-Ⅷ and at ~96 meV for ice-Ⅱ and they are all lower than the value of 104 meV for ice-Ih. It was also measured that the O-D and O-H covalent bond stretching modes of ice-Ⅷ are at ~315 and ~425 meV, ice-Ⅱ at 307 and ~415 meV, hda-ice at 312 and ~418 meV, respectively. They are significantly higher than the values of ice-Ih at ~299 and ~406 meV,respectively.

  1. Atmospheric freeze drying for the reduction of powder electrostatics of amorphous, low density, high surface area pharmaceutical powders.

    Science.gov (United States)

    O'Donnell, K P; Cai, Z; Schmerler, P; Williams, R O

    2013-02-01

    Amorphous itraconazole (ITZ) was prepared by Thin Film Freezing (TFF) utilizing 1,4-dioxane as the solvent with subsequent solvent removal via conventional tray lyophilization (ITZ LYO) or atmospheric freeze drying (ITZ AFD). ITZ AFD was prepared under various drying conditions to assess the influence of drying parameters on powder properties. XRD analysis confirmed all products were amorphous and DSC analysis revealed both drying processes resulted in the formation of the nematic mesophase of ITZ. SEM revealed a larger pore size and agglomerate size with fewer fine particles (i.e. less than 10 microns in diameter) for ITZ AFD compared to ITZ LYO. Residual solvent analysis revealed a primary drying temperature of -10°C resulted in residual solvent levels above the acceptable limits set by the International Conference on Harmonization as a result of microcollapse. Primary drying temperatures of less than -10°C resulted in acceptable residual solvent levels. The extent of microcollapse did not alter the macrostructure of the resulting powder. Powder flowability was determined to be similar for ITZ AFD and ITZ LYO based on Carr's index and the Hausner ratio, as well as by dynamic angle of repose. All powders displayed poor flowability. Chargeability measurements demonstrated a lower charge transfer for ITZ AFD powders compared to ITZ LYO due to a combination of factors including differences in residual solvent level, particle size, pore size, surface area, and fine particles content. The reduction in chargeability as a result of AFD is highly desirable because it allows for improved powder handling and use post-production.

  2. Effects of working pressure and annealing on bulk density and nanopore structures in amorphous In-Ga-Zn-O thin-film transistors

    Science.gov (United States)

    Ide, Keisuke; Kikuchi, Mitsuho; Ota, Masato; Sasase, Masato; Hiramatsu, Hidenori; Kumomi, Hideya; Hosono, Hideo; Kamiya, Toshio

    2017-03-01

    Microstructures of amorphous In-Ga-Zn-O (a-IGZO) thin films of different densities were analyzed. Device-quality a-IGZO films were deposited under optimum conditions, e.g., the total pressure P tot = 0.55 Pa produced high film densities of ˜6.1 g/cm3, while a very high P tot = 5.0 Pa produced low film densities of 5.5 g/cm3. Both films formed uniform high-density layers in the vicinity of the glass substrate, 10-20 nm in thickness depending on P tot, while their growth mode changed to a sparse columnar structure in thicker regions. X-ray reflectivity and in situ spectroscopic ellipsometry provided different results on densification by post deposition thermal annealing; i.e., the latter has a higher sensitivity. High-Z-contrast images obtained by high-angle annular dark-field scanning transmission electron microscopy were also useful for detecting nanometer-size non uniformity even in device-quality a-IGZO films.

  3. Density, porosity and magnetic susceptibility of the Ko\\v{s}ice meteorite shower and homogeneity of its parent meteoroid

    CERN Document Server

    Kohout, Tomáš; Tóth, Juraj; Husárik, Marek; Gritsevich, Maria; Britt, Daniel; Borovička, Jiří; Spurný, Pavel; Igaz, Antal; Svoreň, Ján; Kornoš, Leonard; Vereš, Peter; Koza, Július; Zigo, Pavol; Gajdoš, Štefan; Világi, Jozef; Čapek, David; Krišandová, Zuzana; Tomko, Dušan; Šilha, Jiří; Schunová, Eva; Bodnárová, Marcela; Búzová, Diana; Krejčová, Tereza

    2014-01-01

    Bulk and grain density, porosity, and magnetic susceptibility of 67 individuals of Ko\\v{s}ice H chondrite fall were measured. The mean bulk and grain densities were determined to be 3.43 g/cm$^\\text{3}$ with standard deviation (s.d.) of 0.11 g/cm$^\\text{3}$ and 3.79 g/cm$^\\text{3}$ with s.d. 0.07 g/cm$^\\text{3}$, respectively. Porosity is in the range from 4.2 to 16.1%. The logarithm of the apparent magnetic susceptibility (in 10$^\\text{-9}$ m$^\\text{3}$/kg) shows narrow distribution from 5.17 to 5.49 with mean value at 5.35 with s.d. 0.08. These results indicate that all studied Ko\\v{s}ice meteorites are of the same composition down to ~g scale without presence of foreign (non-H) clasts and are similar to other H chondrites. Ko\\v{s}ice is thus a homogeneous meteorite fall derived from a homogeneous meteoroid.

  4. Bader's topological analysis of the electron density in the pressure-induced phase transitions/amorphization in α-quartz from the catastrophe theory viewpoint

    Science.gov (United States)

    Merli, Marcello; Sciascia, Luciana

    2013-06-01

    In this work, the Bader's topological analysis of the electron density, coupled with Thom's catastrophe theory, was used to characterize the pressure-induced transformations in α-quartz. In particular, ab initio calculations of the α-quartz structures in the range 0-105 Gpa have been performed at the HF/DFT exchange-correlation terms level, using Hamiltonians based on a WC1LYP hybrid scheme. The electron densities calculated throughout the ab initio wave functions have been analysed by means of the Bader's theory, seeking for some catastrophic mechanism in the sense of Thom's theory. The analysis mainly showed that there is a typical fold catastrophe feature involving an O-O interaction at the quartz-coesite transition pressure, while the amorphization of α-quartz is coincident with an average distribution of the gradient field of the electron density around the oxygen atom which is typically observed in the free atoms. This approach is addressed to depict a phase transition from a novel viewpoint, particularly useful in predicting the stability of a compound at extreme conditions, especially in the absence of experimental data.

  5. Low Density of Top Predators (Seabirds and Marine Mammals in the High Arctic Pack Ice

    Directory of Open Access Journals (Sweden)

    Claude R. Joiris

    2016-01-01

    Full Text Available The at-sea distribution of top predators, seabirds and marine mammals, was determined in the high Arctic pack ice on board the icebreaker RV Polarstern in July to September 2014. In total, 1,620 transect counts were realised, lasting 30 min each. The five most numerous seabird species represented 74% of the total of 15,150 individuals registered: kittiwake Rissa tridactyla, fulmar Fulmarus glacialis, puffin Fratercula arctica, Ross’s gull Rhodostethia rosea, and little auk Alle alle. Eight cetacean species were tallied for a total of 330 individuals, mainly white-beaked dolphin Lagenorhynchus albirostris and fin whale Balaenoptera physalus. Five pinniped species were represented by a total of 55 individuals and the polar bear Ursus maritimus was represented by 12 individuals. Four main geographical zones were identified: from Tromsø to the outer marginal ice zone (OMIZ, the Arctic pack ice (close pack ice, CPI, the end of Lomonosov Ridge off Siberia, and the route off Siberia and northern Norway. Important differences were detected between zones, both in species composition and in individual abundance. Low numbers of species and high proportion of individuals for some of them can be considered to reflect very low biodiversity. Numbers encountered in zones 2 to 4 were very low in comparison with other European Arctic seas. The observed differences showed strong patterns.

  6. Snow and firn density variability on the Greenland and Antarctic Ice Sheets from observations, the MAR regional climate model, and the RACMO firn model

    Science.gov (United States)

    Alexander, P. M.; Koenig, L.; Datta, R.; Tedesco, M.; Kuipers Munneke, P.; Ligtenberg, S.; Fettweis, X.; van den Broeke, M.

    2015-12-01

    The density of snow and firn of the Greenland and Antarctic Ice Sheets (GrIS and AIS) is an important parameter in ice sheet surface mass balance (SMB). Snow and firn densities are needed to convert satellite- and airborne-derived snow thickness changes into surface mass changes. Moreover, density directly impacts SMB by influencing the amount of liquid water that can be stored in firn and snow at the ice sheet surface. Using recently updated density profiles from the SUMup community dataset, we examine spatial and temporal variations in measured densities over the GrIS and AIS, and evaluate modeled profiles from the Modèle Atmosphérique Régionale (MAR) RCM and the firn model of the Regional Atmospheric Climate Model (RACMO2). The MAR model tends to underestimate densities in the first meter of the snowpack over both ice sheets, although the biases are spatially variable. We provide results regarding the relationship between modeled biases and parameters such as the time and location of the sample profile, and climatology at the profile location. We also explore whether recent increases in surface air temperature and melting over the Greenland ice have led to changes in simulated density profiles.

  7. Static density functional study of graphene-hexagonal bilayer ice interaction.

    Science.gov (United States)

    Anick, David J

    2014-09-04

    Periodic static ab initio studies are conducted of hexagonal bilayer ice (HBL) and basal layers of ice-1h adsorbed on graphene using the model BLYP-D in CRYSTAL09. Eight high-symmetry periodic forms of HBL are optimized, of which four have lower energy; their electronic binding energy to graphene is ∼1.6 kcal/mol per abutting H2O. Optimized geometries have the property of maximizing the occurrence of a certain O-H-C alignment motif. One lattice is selected for more detailed study. Its 2-D shear translation potential energy surface is found to have barrier heights in two zigzag directions of ∼140 cal/mol per abutting H2O. A second hexagonal bilayer can be added and the electronic binding energy drops from ∼1.7 to ∼1.0 kcal/mol per abutting H2O. For ice-1h monolayer adsorbed on graphene, a proton-ordered form in which half of the O's nearest the graphene carry a proton pointing toward graphene is preferred over proton-ordered forms in which either all or none of those O's have H's pointing toward graphene. Cohesive energy for two-layer ice-1h on graphene is 0.66 kcal/mol of H2O higher than for HBL, supporting experimental evidence that the graphene+HBL isomer is more stable. However, the HBL and two-HBL structures are unstable or at best metastable with respect to four layers of ice-1h.

  8. Plasma-Assisted Atomic Layer Deposition of High-Density Ni Nanoparticles for Amorphous In-Ga-Zn-O Thin Film Transistor Memory

    Science.gov (United States)

    Qian, Shi-Bing; Wang, Yong-Ping; Shao, Yan; Liu, Wen-Jun; Ding, Shi-Jin

    2017-02-01

    For the first time, the growth of Ni nanoparticles (NPs) was explored by plasma-assisted atomic layer deposition (ALD) technique using NiCp2 and NH3 precursors. Influences of substrate temperature and deposition cycles on ALD Ni NPs were studied by field emission scanning electron microscope and X-ray photoelectron spectroscopy. By optimizing the process parameters, high-density and uniform Ni NPs were achieved in the case of 280 °C substrate temperature and 50 deposition cycles, exhibiting a density of 1.5 × 1012 cm-2 and a small size of 3 4 nm. Further, the above Ni NPs were used as charge storage medium of amorphous indium-gallium-zinc oxide (a-IGZO) thin film transistor (TFT) memory, demonstrating a high storage capacity for electrons. In particular, the nonvolatile memory exhibited an excellent programming characteristic, e.g., a large threshold voltage shift of 8.03 V was obtained after being programmed at 17 V for 5 ms.

  9. Structure of amorphous sulfur

    CSIR Research Space (South Africa)

    Eichinger, BE

    2001-06-01

    Full Text Available The lambda-transition of elemental sulfur occurring at about 159°C has long been associated with the conversion of cyclic S8 rings (c-S8) to amorphous polymer (a-S) via a ring opening polymerization. It is demonstrated, with the use of both density...

  10. Amorphous nanophotonics

    CERN Document Server

    Scharf, Toralf

    2013-01-01

    This book represents the first comprehensive overview over amorphous nano-optical and nano-photonic systems. Nanophotonics is a burgeoning branch of optics that enables many applications by steering the mould of light on length scales smaller than the wavelength with devoted nanostructures. Amorphous nanophotonics exploits self-organization mechanisms based on bottom-up approaches to fabricate nanooptical systems. The resulting structures presented in the book are characterized by a deterministic unit cell with tailored geometries; but their spatial arrangement is not controlled. Instead of periodic, the structures appear either amorphous or random. The aim of this book is to discuss all aspects related to observable effects in amorphous nanophotonic material and aspects related to their design, fabrication, characterization and integration into applications. The book has an interdisciplinary nature with contributions from scientists in physics, chemistry and materials sciences and sheds light on the topic fr...

  11. Seismology on the Greenland ice sheet: results from the deployment of a high-density campaign seismic network in 2011

    Science.gov (United States)

    Walter, F.; Husen, S.; Meier, M.; Plenkers, K.; Hiemer, S.; Ryser, C.; Lüthi, M.; Funk, M.; Catania, G.; Clinton, J.

    2012-04-01

    The effect of the observed increase in surface melt on the dynamics of the Greenland ice sheet is not fully understood. Specifically, it is not clear to what extent the subglacial hydraulic system can respond to changes in melt water input. Depending on its adaptability, the subglacial drainage system may help enhance or diminish ice flow during warming air temperatures. In order to gain a better understanding of the subglacial drainage system, we installed a high-density campaign seismic network during summer 2011 on the Greenland ice sheet. The goal of the passive seismic monitoring is the detection and characterization of dislocation mechanisms, such as englacial fracturing and basal stick-slip motion. A better understanding of these processes will elucidate the englacial and subglacial drainage system and its role in ice dynamics. The seismic deployment was part of an international deep drilling project. In the vicinity of the seismic network seven boreholes were drilled to the glacier bed and equipped with scientific instruments to measure englacial deformation, temperature, basal water pressure and glacier sliding rates. In our presentation we describe the seismological experiment and offer a first impression of the 'icequake' waveform variety, which we have recorded. The installation consisted of 17 three-component seismometers, including three deep (150 - 400 m) borehole sensors and two broadband seismometers. The aperture of the array was about one kilometre. It was operated over a time span of six weeks. Data were recorded continuously at high sampling frequencies (500 Hz). Due to high ablation rates surface sensors had to be re-leveled daily. As expected from previous studies of Alpine icequakes we recorded a large number of surface crevassing events and found evidence for deeper (more than 100 m depth) fracture events most likely due englacial hydrofracturing. In addition, we recorded relatively low-frequency (0.3-1.5 Hz) transients, with high signal

  12. Interfacial instability of amorphous LiPON against lithium: A combined Density Functional Theory and spectroscopic study

    Science.gov (United States)

    Sicolo, Sabrina; Fingerle, Mathias; Hausbrand, René; Albe, Karsten

    2017-06-01

    The chemical instability of the glassy solid electrolyte LiPON against metallic lithium and the occurrence of side reactions at their interface is investigated by combining a surface science approach and quantum-mechanical calculations. Using an evolutionary structure search followed by a melt-quenching protocol, a model for the disordered structure of LiPON is generated and put into contact with lithium. Even the static optimization of a simple model interface suggests that the diffusion of lithium into LiPON is driven by a considerable driving force that could easily take place under experimental conditions. Calculated reaction energies indicate that the reduction and decomposition of LiPON is thermodynamically favorable. By monitoring the evolution of the LiPON core levels as a function of lithium exposure, the disruption of the LiPON network alongside the occurrence of new phases is observed. The direct comparison between UV photoelectron spectroscopy measurements and calculated electronic densities of states for increasing stages of lithiation univocally identifies the new phases as Li2O, Li3P and Li3N. These products are stable against Li metal and form a passivation layer which shields the electrolyte from further decomposition while allowing for the diffusion of Li ions.

  13. Single-step, rapid low-temperature synthesis of Si quantum dots embedded in an amorphous SiC matrix in high-density reactive plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Qijin [Plasma Nanoscience Centre Australia (PNCA), CSIRO Materials Science and Engineering, PO Box 218, Lindfield, NSW 2070 (Australia); Xu Shuyan [Plasma Sources and Applications Centre, NIE, Nanyang Technological University, 1 Nanyang Walk 637616 (Singapore); Ostrikov, Kostya, E-mail: Kostya.Ostrikov@csiro.au [Plasma Nanoscience Centre Australia (PNCA), CSIRO Materials Science and Engineering, PO Box 218, Lindfield, NSW 2070 (Australia) and School of Physics, University of Sydney, Sydney NSW 2006 (Australia)

    2010-01-15

    A simple, effective and innovative approach based on low-pressure, thermally nonequilibrium, high-density inductively coupled plasmas is proposed to rapidly synthesize Si quantum dots (QDs) embedded in an amorphous SiC (a-SiC) matrix at a low substrate temperature and without any commonly used hydrogen dilution. The experimental results clearly demonstrate that uniform crystalline Si QDs with a size of 3-4 nm embedded in the silicon-rich (carbon content up to 10.7at.%) a-SiC matrix can be formed from the reactive mixture of silane and methane gases, with high growth rates of {approx}1.27-2.34 nm s{sup -1} and at a low substrate temperature of 200 deg. C. The achievement of the high-rate growth of Si QDs embedded in the a-SiC without any commonly used hydrogen dilution is discussed based on the unique properties of the inductively coupled plasma-based process. This work is particularly important for the development of the all-Si tandem cell-based third generation photovoltaic solar cells.

  14. On the formation of sharp gradients in electron density resulting from an ice-plasma feedback instabilities in the polar summer mesosphere

    Science.gov (United States)

    Yee, J.; Bahcivan, H.

    2014-12-01

    Polar Mesospheric Summer Echoes (PMSEs) have commonly been attributed to scattering from (1) volume-filled electron density turbulence and (2) extremely sharp (meter-scale) gradients in electron density. In-situ sounding rockets have measured both extended regions of turbulence as well as electron density ledges. Unlike the turbulence theory, which has been extensively studied, a theory on the formation of sharp edges has yet to be explored. In this study, we reconsider the study of Gumbel et al. [2002] on the influences of ice particles on the ion chemistry and propose a theory of ice-plasma feedback instability in order to explain the origin of sharp electron density gradients. A one-dimensional particle-in-cell simulation of a multi-constituent weakly-ionized plasma has been developed to capture the physics of proton-hydrates (H+[H20]n), ice, and plasma interactions on a spatial grid of approximately 25 m. The simulation captures (1) the development of the proton-hydrate chain starting at n=4 via Thomson's model and Natanson's recombination scheme, (2) the formation of ice nucleation on large cluster proton-hydrates (n > 73), (3) the attachment of electrons (and ions) to ice particles, and resulting depletion of the plasma density, which significantly accelerates the proton-hydrate chain and ionic nucleation of new ice particles, (4) and the development of an ice-plasma feedback instability whereby the repeated process of developing new ice particles leads to capture of even more electrons and further depletion of existing regions of lower plasma density. Since this feedback instability process is faster than typical aerosol diffusion rates in this region, existing gradients steepen to produce electron density ledges. Although ionic nucleation is not feasible as the major mesospheric nucleation process, it can become efficient locally, near the coldest parts of the mesosphere because the proton-hydrate chain development is extremely sensitive to ambient

  15. The use of airborne radar reflectometry to establish snow/firn density distribution on Devon Ice Cap, Canadian Arctic: A path to understanding complex heterogeneous internal layering patterns

    Science.gov (United States)

    Rutishauser, A.; Grima, C.; Sharp, M. J.; Blankenship, D. D.; Young, D. A.; Dowdeswell, J. A.

    2014-12-01

    The internal layer stratigraphy of polar ice sheets revealed by airborne radio-echo sounding (RES) contains valuable information about past ice sheet mass balance and dynamics. Internal layers in the Antarctic and Greenland ice sheets are considered to be isochrones and are continuous over several hundreds of kilometres. In contrast, internal layers in Canadian Arctic ice caps appear to be very heterogeneous and fragmentary, consisting of highly discontinuous layers that can be traced over only a few to several tens of kilometres. Internal layers most likely relate to former ice surfaces (the upper few meters of snow/firn), the properties which are directly influenced by atmospheric conditions including the air temperature, precipitation rate, and prevailing wind pattern. We hypothesize that the heterogeneous and complex nature of layers in the Canadian Arctic results from highly variable snow and firn conditions at the surface. Characterizing surface properties such as variations in the snow/firn density from dry to wet snow/firn, as well as high-density shallow ice layers and lenses of refrozen water can help to elucidate the complex internal layer pattern in the Canadian Arctic ice caps. Estimates of the snow/firn surface density and roughness can be derived from reflectance and scattering information using the surface radar returns from RES measurements. Here we present estimates of the surface snow/firn density distribution over Devon Ice Cap in the Canadian Arctic derived by the Radar Statistical Reconnaissance (RSR) methodology (Grima et al., 2014, Planetary & Space Sciences) using data collected by recent airborne radar sounding programs. The RSR generates estimates of the statistical distribution of surface echo amplitudes over defined areas along a survey transect. The derived distributions are best-fitted with a theoretical stochastic envelope, parameterized with the signal reflectance and scattering, in order to separate those two components. Finally

  16. Solid-state diffusion in amorphous zirconolite

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.; Dove, M. T.; Trachenko, K. [School of Physics and Astronomy, Queen Mary University of London, Mile End Road, London E1 4NS (United Kingdom); Zarkadoula, E. [School of Physics and Astronomy, Queen Mary University of London, Mile End Road, London E1 4NS (United Kingdom); Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6138 (United States); Todorov, I. T. [STFC Daresbury Laboratory, Warrington WA4 1EP (United Kingdom); Geisler, T. [Steinmann-Institut für Geologie, Mineralogie und Paläontologie, University of Bonn, D-53115 Bonn (Germany); Brazhkin, V. V. [Institute for High Pressure Physics, RAS, 142190 Moscow (Russian Federation)

    2014-11-14

    We discuss how structural disorder and amorphization affect solid-state diffusion, and consider zirconolite as a currently important case study. By performing extensive molecular dynamics simulations, we disentangle the effects of amorphization and density, and show that a profound increase of solid-state diffusion takes place as a result of amorphization. Importantly, this can take place at the same density as in the crystal, representing an interesting general insight regarding solid-state diffusion. We find that decreasing the density in the amorphous system increases pre-factors of diffusion constants, but does not change the activation energy in the density range considered. We also find that atomic species in zirconolite are affected differently by amorphization and density change. Our microscopic insights are relevant for understanding how solid-state diffusion changes due to disorder and for building predictive models of operation of materials to be used to encapsulate nuclear waste.

  17. A new modeling tool for the diffusion of gases in ice or amorphous binary mixture in the polar stratosphere and the upper troposphere

    Directory of Open Access Journals (Sweden)

    C. A. Varotsos

    2009-12-01

    Full Text Available To elaborate stratospheric ozone depletion processes, measurements of diffusion coefficients of selected gas phase molecules (i.e. HCl, CH3OH, HCOOH and CH3COOH in ice in the temperature range 170–195 K have been analyzed with respect to the mechanisms and rates of diffusion. It is argued that the diffusion in ice of these compounds is governed by a vacancy – mediated mechanism, i.e. H2O vacancies are required to diffuse to lattice sites adjacent to these compounds prior to the diffusion of the corresponding molecule into the vacancy sites. In addition, we show that the diffusion coefficients of these compounds exhibit a specific interconnection, i.e. a linear relationship holds between the logarithm of the pre-exponential factor, Do, and the activation energy E. The physical meaning of this interconnection is discussed.

  18. Mass balance of the Greenland ice sheet (2003-2008) from ICESat data - the impact of interpolation, sampling and firn density

    DEFF Research Database (Denmark)

    Sørensen, L. S.; Simonsen, Sebastian Bjerregaard; Nielsen, K.;

    2011-01-01

    of the Greenland ice sheet. Firn dynamics and surface densities are important factors that contribute to the mass change derived from remote-sensing altimetry. The volume change derived from ICESat data is corrected for changes in firn compaction over the observation period, vertical bedrock movement...... and an intercampaign elevation bias in the ICESat data. Subsequently, the corrected volume change is converted into mass change by the application of a simple surface density model, in which some of the ice dynamics are accounted for. The firn compaction and density models are driven by the HIRHAM5 regional climate...... altimetry data. Three different methods for deriving elevation changes from the ICESat altimetry dataset are used. This multi-method approach provides a method to assess the complexity of deriving elevation changes from this dataset. The altimetry alone can not provide an estimate of the mass balance...

  19. Photometric Measurements of H2O Ice Crystallinity on Trans-Neptunian Objects

    Science.gov (United States)

    Terai, Tsuyoshi; Itoh, Yoichi; Oasa, Yumiko; Furusho, Reiko; Watanabe, Junichi

    2016-08-01

    We present a measurement of H2O ice crystallinity on the surface of trans-neptunian objects with near-infrared narrow-band imaging. The newly developed photometric technique allows us to efficiently determine the strength of a 1.65 μm absorption feature in crystalline H2O ice. Our data for three large objects—Haumea, Quaoar, and Orcus—which are known to contain crystalline H2O ice on the surfaces, show a reasonable result with high fractions of the crystalline phase. It can also be pointed out that if the grain size of H2O ice is larger than ˜20 μm, the crystallinities of these objects are obviously below 1.0, which suggests the presence of the amorphous phase. In particular, Orcus exhibits a high abundance of amorphous H2O ice compared to Haumea and Quaoar, possibly indicating a correlation between the bulk density of the bodies and the degree of surface crystallization. We also found the presence of crystalline H2O ice on Typhon and 2008 AP129, both of which are smaller than the minimum size limit for inducing cryovolcanism as well as a transition from amorphous to crystalline phase through thermal evolution due to the decay of long-lived isotopes. Based on data collected at Subaru Telescope, which is operated by the National Astronomical Observatory of Japan (NAOJ).

  20. On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

    Science.gov (United States)

    Santra, Biswajit; Klimeš, Jiří; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias

    2013-10-01

    Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals for water remains a matter of considerable debate. This is particularly true in light of the recent development of DFT based methods that account for van der Waals (vdW) dispersion forces. Here, we report a detailed study with several xc functionals (semi-local, hybrid, and vdW inclusive approaches) on ice Ih and six proton ordered phases of ice. Consistent with our previous study [B. Santra, J. Klimeš, D. Alfè, A. Tkatchenko, B. Slater, A. Michaelides, R. Car, and M. Scheffler, Phys. Rev. Lett. 107, 185701 (2011)] which showed that vdW forces become increasingly important at high pressures, we find here that all vdW inclusive methods considered improve the relative energies and transition pressures of the high-pressure ice phases compared to those obtained with semi-local or hybrid xc functionals. However, we also find that significant discrepancies between experiment and the vdW inclusive approaches remain in the cohesive properties of the various phases, causing certain phases to be absent from the phase diagram. Therefore, room for improvement in the description of water at ambient and high pressures remains and we suggest that because of the stern test the high pressure ice phases pose they should be used in future benchmark studies of simulation methods for water.

  1. Microstructural analyses of amorphic diamond, i-C, and amorphous carbon

    DEFF Research Database (Denmark)

    Collins, C. B.; Davanloo, F.; Jander, D.R.;

    1992-01-01

    Recent experiments have identified the microstructure of amorphic diamond with a model of packed nodules of amorphous diamond expected theoretically. However, this success has left in doubt the relationship of amorphic diamond to other noncrystalline forms of carbon. This work reports...... the comparative examinations of the microstructures of samples of amorphic diamond, i-C, and amorphous carbon. Four distinct morphologies were found that correlated closely with the energy densities used in preparing the different materials. Journal of Applied Physics is copyrighted by The American Institute...

  2. Electron impact ionization of H{sub 2}O molecule in crystalline ice

    Energy Technology Data Exchange (ETDEWEB)

    Vinodkumar, Minaxi; Joshipura, K.N. E-mail: knjoshipura@yahoo.com; Limbachiya, C.G.; Antony, B.K

    2003-12-01

    The present work focuses on electron impact scattering in crystalline ice, which is an exotic solid. The major difference between crystalline form and amorphous form lies in its structure. Here we consider the H{sub 2}O molecule to possess properties consistent with the ice structure. Our basic calculation rests on the complex optical potential for the e-molecule system, with the molecular charge density as an input. To examine a single scattering event in condensed phases, we build up a model scattering potential to determine total inelastic cross-section Q{sub inel}. Finally an estimate of the total ionization cross-section, Q{sub ion} for H{sub 2}O (free), H{sub 2}O (amorphous) and H{sub 2}O (ice) in the energy range from threshold to 2000 eV, is obtained through semi-empirical arguments.

  3. Amorphous LiCoO2sbnd Li2SO4 active materials: Potential positive electrodes for bulk-type all-oxide solid-state lithium batteries with high energy density

    Science.gov (United States)

    Nagao, Kenji; Hayashi, Akitoshi; Deguchi, Minako; Tsukasaki, Hirofumi; Mori, Shigeo; Tatsumisago, Masahiro

    2017-04-01

    Newly amorphous Li2-x/100Cox/100S1-x/100O4-x/50 (xLiCoO2·(100-x)Li2SO4 (mol%)) positive electrode active materials are synthesized using mechanochemical techniques. SEM observation indicates that average radii of the Li1.2Co0.8S0.2O2.4 (80LiCoO2·20Li2SO4 (mol%)) particles are about 3 μm. HR-TEM images indicate that the particles comprise nano-crystalline and amorphous phases. The crystalline phase is attributable to cubic LiCoO2 phase. These active materials exhibit a high electronic conductivity of around 10-5-10-1 S cm-1 and an ionic conductivity of around 10-7-10-6 S cm-1 at room temperature. Bulk-type all-oxide solid-state cells (Lisbnd In alloy/Li3BO3-based glass-ceramic electrolyte/amorphous Li2-x/100Cox/100S1-x/100O4-x/50) are fabricated by pressing at room temperature without high temperature sintering. Although the cell with the milled LiCoO2 shows no capacity, the cell using the Li1.2Co0.8S0.2O2.4 electrode with no conductive components (ca. 150 μm thickness) operates as a secondary battery at 100 °C, with an average discharge potential of 3.3 V (vs. Li+/Li) and discharge capacity of 163 mAh g-1. A positive electrode with large amounts of active materials is suitable for achieving high energy density in all-solid-state batteries. These newly synthesized amorphous Li2-x/100Cox/100S1-x/100O4-x/50 electrodes with ionic and electronic conductivities and good processability meet that demand.

  4. A Novel High-Density Phase and Amorphization of Nitrogen-Rich 1H-Tetrazole (CH2N4) under High Pressure

    Science.gov (United States)

    Li, Wenbo; Huang, Xiaoli; Bao, Kuo; Zhao, Zhonglong; Huang, Yanping; Wang, Lu; Wu, Gang; Zhou, Bo; Duan, Defang; Li, Fangfei; Zhou, Qiang; Liu, Bingbing; Cui, Tian

    2017-02-01

    The high-pressure behaviors of nitrogen-rich 1H-tetrazole (CH2N4) have been investigated by in situ synchrotron X-ray diffraction (XRD) and Raman scattering up to 75 GPa. A first crystalline-to-crystalline phase transition is observed and identified above ~3 GPa with a large volume collapse (∼18% at 4.4 GPa) from phase I to phase II. The new phase II forms a dimer-like structure, belonging to P1 space group. Then, a crystalline-to-amorphous phase transition takes place over a large pressure range of 13.8 to 50 GPa, which is accompanied by an interphase region approaching paracrystalline state. When decompression from 75 GPa to ambient conditions, the final product keeps an irreversible amorphous state. Our ultraviolet (UV) absorption spectrum suggests the final product exhibits an increase in molecular conjugation.

  5. Mass balance of the Greenland ice sheet - a study of ICESat data, surface density and firn compaction modelling

    DEFF Research Database (Denmark)

    Sørensen, L. S.; Simonsen, Sebastian Bjerregaard; Nielsen, K.;

    2010-01-01

    boundary conditions. We find an annual mass loss of the Greenland ice sheet of 210 ± 21 Gt yr-1 in the period from October 2003 to March 2008. This result is in good agreement with other studies of the Greenland ice sheet mass balance, based on different remote sensing techniques.......ICESat has provided surface elevation measurements of the ice sheets since the launch in January 2003, resulting in a unique data set for monitoring the changes of the cryosphere. Here we present a novel method for determining the mass balance of the Greenland ice sheet derived from ICESat...... altimetry data. Four different methods for deriving the elevation changes from the ICESat altimetry data set are used. This multi method approach gives an understanding of the complexity associated with deriving elevation changes from the ICESat altimetry data set. The altimetry can not stand alone...

  6. A common column density threshold for scattering at 3.6 mum and water-ice in molecular clouds

    CERN Document Server

    Andersen, M; Steinacker, J; Tothill, N

    2014-01-01

    Context: Observations of scattered light in the 1-5 $\\mu$m range have revealed dust grains in molecular cores with sizes larger than commonly inferred for the diffuse interstellar medium. It is currently unclear whether these grains are grown within the molecular cores or are an ubiquitous component of the interstellar medium. Aims: We investigate whether the large grains necessary for efficient scattering at 1-5 mum are associated with the abundance of water-ice within molecular clouds and cores. Methods: We combined water-ice abundance measurements for sight lines through the Lupus IV molecular cloud complex with measurements of the scattered light at 3.6 mum for the same sight lines. Results: We find that there is a similar threshold for the cores in emission in scattered light at 3.6 mum (tau_9.7=0.15pm0.05, A_K=0.4pm0.2 as water-ice (tau_9.7=0.11pm0.01, A_K=0.19pm0.04) and that the scattering efficiency increases as the relative water-ice abundance increases. The ice layer increases the average grain siz...

  7. Heavy ion irradiation of crystalline water ice

    CERN Document Server

    Dartois, E; Boduch, P; Brunetto, R; Chabot, M; Domaracka, A; Ding, J J; Kamalou, O; Lv, X Y; Rothard, H; da Silveira, E F; Thomas, J C

    2015-01-01

    Under cosmic irradiation, the interstellar water ice mantles evolve towards a compact amorphous state. Crystalline ice amorphisation was previously monitored mainly in the keV to hundreds of keV ion energies. We experimentally investigate heavy ion irradiation amorphisation of crystalline ice, at high energies closer to true cosmic rays, and explore the water-ice sputtering yield. We irradiated thin crystalline ice films with MeV to GeV swift ion beams, produced at the GANIL accelerator. The ice infrared spectral evolution as a function of fluence is monitored with in-situ infrared spectroscopy (induced amorphisation of the initial crystalline state into a compact amorphous phase). The crystalline ice amorphisation cross-section is measured in the high electronic stopping-power range for different temperatures. At large fluence, the ice sputtering is measured on the infrared spectra, and the fitted sputtering-yield dependence, combined with previous measurements, is quadratic over three decades of electronic ...

  8. Photometric Measurements of H2O Ice Crystallinity on Trans-Neptunian Objects

    CERN Document Server

    Terai, Tsuyoshi; Oasa, Yumiko; Furusho, Reiko; Watanabe, Junichi

    2016-01-01

    We present a measurement of H2O ice crystallinity on the surface of trans-neptunian objects (TNOs) with near-infrared narrow-band imaging. The newly developed photometric technique allows us to efficiently determine the strength of an 1.65-um absorption feature in crystalline H2O ice. Our data for three large objects, Haumea, Quaoar, and Orcus, which are known to contain crystalline H2O ice on the surfaces, show a reasonable result with high fractions of the crystalline phase. It can also be pointed out that if the H2O-ice grain size is larger than ~20 um, the crystallinities of these objects are obviously below 1.0, which suggest the presence of the amorphous phase. Especially, Orcus exhibits a high abundance of amorphous H2O ice compared to Haumea and Quaoar, possibly indicating a correlation between bulk density of the bodies and surface crystallization degree. We also found the presence of crystalline H2O ice on Typhon and 2008 AP129, both of which are smaller than the minimum size limit for inducing cryo...

  9. Distinct Properties of Nanofibrous Amorphous Ice

    Directory of Open Access Journals (Sweden)

    Fanyi Cai

    2014-11-01

    Full Text Available We make glassy water in the form of nanofibers by electrospraying liquid water into a hyperquenching chamber. It is measured with means of differential scanning calorimetry, wide angle X-ray diffraction and Raman spectroscopy. It is found that two apparent glass transitions at Tg1 = 136 K and Tg2 = 228 K are detected and non-crystallized water is observed at temperatures up to 228 K. This finding may expand the research objects for liquid water at low temperatures.

  10. An ice lithography instrument

    Science.gov (United States)

    Han, Anpan; Chervinsky, John; Branton, Daniel; Golovchenko, J. A.

    2011-06-01

    We describe the design of an instrument that can fully implement a new nanopatterning method called ice lithography, where ice is used as the resist. Water vapor is introduced into a scanning electron microscope (SEM) vacuum chamber above a sample cooled down to 110 K. The vapor condenses, covering the sample with an amorphous layer of ice. To form a lift-off mask, ice is removed by the SEM electron beam (e-beam) guided by an e-beam lithography system. Without breaking vacuum, the sample with the ice mask is then transferred into a metal deposition chamber where metals are deposited by sputtering. The cold sample is then unloaded from the vacuum system and immersed in isopropanol at room temperature. As the ice melts, metal deposited on the ice disperses while the metals deposited on the sample where the ice had been removed by the e-beam remains. The instrument combines a high beam-current thermal field emission SEM fitted with an e-beam lithography system, cryogenic systems, and a high vacuum metal deposition system in a design that optimizes ice lithography for high throughput nanodevice fabrication. The nanoscale capability of the instrument is demonstrated with the fabrication of nanoscale metal lines.

  11. Density functional theory model of amorphous zinc oxide (a-ZnO) and a-X0.375Z0.625O (X= Al, Ga and In)

    Science.gov (United States)

    Pandey, Anup; Scherich, Heath; Drabold, D. A.

    2017-01-01

    Density functional theory (DFT) calculations are carried out to study the structure and electronic structure of amorphous zinc oxide (a-ZnO). The models were prepared by the "melt-quench" method. The models are chemically ordered with some coordination defects. The effect of trivalent dopants in the structure and electronic properties of a-ZnO is investigated. Models of a-X_0.375 Z_0.625 O (X=Al, Ga and In) were also prepared by the "melt- quench" method. The trivalent dopants reduce the four-fold Zn and O, thereby introducing some coordination defects in the network. The dopants prefer to bond with O atom. The network topology is discussed in detail. Dopants reduce the gap in EDOS by producing defect states minimum while maintaining the extended nature of the conduction band edge.

  12. Neutron irradiation induced amorphization of silicon carbide

    Energy Technology Data Exchange (ETDEWEB)

    Snead, L.L.; Hay, J.C. [Oak Ridge National Lab., TN (United States)

    1998-09-01

    This paper provides the first known observation of silicon carbide fully amorphized under neutron irradiation. Both high purity single crystal hcp and high purity, highly faulted (cubic) chemically vapor deposited (CVD) SiC were irradiated at approximately 60 C to a total fast neutron fluence of 2.6 {times} 10{sup 25} n/m{sup 2}. Amorphization was seen in both materials, as evidenced by TEM, electron diffraction, and x-ray diffraction techniques. Physical properties for the amorphized single crystal material are reported including large changes in density ({minus}10.8%), elastic modulus as measured using a nanoindentation technique ({minus}45%), hardness as measured by nanoindentation ({minus}45%), and standard Vickers hardness ({minus}24%). Similar property changes are observed for the critical temperature for amorphization at this neutron dose and flux, above which amorphization is not possible, is estimated to be greater than 130 C.

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

    CERN Document Server

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

    2016-01-01

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

  14. Creep in amorphous metals

    Directory of Open Access Journals (Sweden)

    Michael E. Kassner

    2015-01-01

    Full Text Available This paper reviews the work on creep behavior of amorphous metals. There have been, over the past several years, a few reviews of the mechanical behavior of amorphous metals. Of these, the review of the creep properties of amorphous metals by Schuh et al. though oldest of the three, is particularly noteworthy and the reader is referred to this article published in 2007. The current review of creep of amorphous metals particularly focuses on those works since that review and places the work prior to 2007 in a different context where new developments warrant.

  15. [Amorphization in pharmaceutical technology].

    Science.gov (United States)

    Révész, Piroska; Laczkovich, Orsolya; Eros, István

    2004-01-01

    The amorphization of crystalline active ingredients may be necessary because of the polymorphism of the active substance, the poor water-solubility of the drug material, difficult processing in the crystalline form and the taking out of a patent for a new (amorphous) form. This article introduces protocols for amorphization, which use methods traditionally applied in pharmaceutical technology. The protocols involve three possible routes: solvent methods, hot-melt technologies and milling procedures. With this presentation, the authors suggest help for practising experts to find the correct amorphization method.

  16. Surface Acidity of Amorphous Aluminum Hydroxide

    Institute of Scientific and Technical Information of China (English)

    K. FUKUSHI; K. TSUKIMURA; H. YAMADA

    2006-01-01

    The surface acidity of synthetic amorphous Al hydroxide was determined by acid/base titration with several complementary methods including solution analyses of the reacted solutions and XRD characterization of the reacted solids. The synthetic specimen was characterized to be the amorphous material showing four broad peaks in XRD pattern. XRD analyses of reacted solids after the titration experiments showed that amorphous Al hydroxide rapidly transformed to crystalline bayerite at the alkaline condition (pH>10). The solution analyses after and during the titration experiments showed that the solubility of amorphous aluminum hydroxide, Ksp =aAl3+/a3H+,was 1010.3,The amount of consumption of added acid or base during the titration experiment was attributed to both the protonation/deprotonation of dissolved Al species and surface hydroxyl group. The surface acidity constants, surface hydroxyl density and specific surface area were estimated by FITEQL 4.0.

  17. Amorphous carbon for photovoltaics

    Science.gov (United States)

    Risplendi, Francesca; Grossman, Jeffrey C.

    2015-03-01

    All-carbon solar cells have attracted attention as candidates for innovative photovoltaic devices. Carbon-based materials such as graphene, carbon nanotubes (CNT) and amorphous carbon (aC) have the potential to present physical properties comparable to those of silicon-based materials with advantages such as low cost and higher thermal stability.In particular a-C structures are promising systems in which both sp2 and sp3 hybridization coordination are present in different proportions depending on the specific density, providing the possibility of tuning their optoelectronic properties and achieving comparable sunlight absorption to aSi. In this work we employ density functional theory to design suitable device architectures, such as bulk heterojunctions (BHJ) or pn junctions, consisting of a-C as the active layer material.Regarding BHJ, we study interfaces between aC and C nanostructures (such as CNT and fullerene) to relate their optoelectronic properties to the stoichiometry of aC. We demonstrate that the energy alignment between the a-C mobility edges and the occupied and unoccupied states of the CNT or C60 can be widely tuned by varying the aC density to obtain a type II interface.To employ aC in pn junctions we analyze the p- and n-type doping of a-C focusingon an evaluation of the Fermi level and work function dependence on doping.Our results highlight promising features of aC as the active layer material of thin-film solar cells.

  18. Glacial Meltwater as a Source of Amorphous Silica on Early Mars

    Science.gov (United States)

    Rutledge, A. M.; Horgan, B.; Havig, J. R.; Rampe, E. B.; Scudder, N. A.; Hamilton, T. L.

    2017-10-01

    Cold-climate silica cycling on mafic volcanics due to glacial meltwater alteration is a significant terrestrial weathering process. Amorphous silica deposits on Mars could be interpreted as mineralogical evidence for past ice sheet melt.

  19. Mass balance of the Greenland ice sheet (2003-2008) from ICESat data - the impact of interpolation, sampling and firn density

    DEFF Research Database (Denmark)

    Sørensen, L. S.; Simonsen, Sebastian Bjerregaard; Nielsen, K.

    2011-01-01

    ICESat has provided surface elevation measurements of the ice sheets since the launch in January 2003, resulting in a unique dataset for monitoring the changes of the cryosphere. Here, we present a novel method for determining the mass balance of the Greenland ice sheet, derived from ICESat altim...... of the Greenland ice sheet mass balance, based on different remote-sensing techniques....

  20. Influence of the charge trap density distribution in a gate insulator on the positive-bias stress instability of amorphous indium-gallium-zinc oxide thin-film transistors

    Science.gov (United States)

    Kim, Eungtaek; Kim, Choong-Ki; Lee, Myung Keun; Bang, Tewook; Choi, Yang-Kyu; Park, Sang-Hee Ko; Choi, Kyung Cheol

    2016-05-01

    We investigated the positive-bias stress (PBS) instability of thin film transistors (TFTs) composed of different types of first-gate insulators, which serve as a protection layer of the active surface. Two different deposition methods, i.e., the thermal atomic layer deposition (THALD) and plasma-enhanced ALD (PEALD) of Al2O3, were applied for the deposition of the first GI. When THALD was used to deposit the GI, amorphous indium-gallium-zinc oxide (a-IGZO) TFTs showed superior stability characteristics under PBS. For example, the threshold voltage shift (ΔVth) was 0 V even after a PBS time (tstress) of 3000 s under a gate voltage (VG) condition of 5 V (with an electrical field of 1.25 MV/cm). On the other hand, when the first GI was deposited by PEALD, the ΔVth value of a-IGZO TFTs was 0.82 V after undergoing an identical amount of PBS. In order to interpret the disparate ΔVth values resulting from PBS quantitatively, the average oxide charge trap density (NT) in the GI and its spatial distribution were investigated through low-frequency noise characterizations. A higher NT resulted during in the PEALD type GI than in the THALD case. Specifically, the PEALD process on a-IGZO layer surface led to an increasing trend of NT near the GI/a-IGZO interface compared to bulk GI owing to oxygen plasma damage on the a-IGZO surface.

  1. Trehalose amorphization and recrystallization.

    Science.gov (United States)

    Sussich, Fabiana; Cesàro, Attilio

    2008-10-13

    The stability of the amorphous trehalose prepared by using several procedures is presented and discussed. Amorphization is shown to occur by melting (T(m)=215 degrees C) or milling (room temperature) the crystalline anhydrous form TRE-beta. Fast dehydration of the di-hydrate crystalline polymorph, TRE-h, also produces an amorphous phase. Other dehydration procedures of TRE-h, such as microwave treatment, supercritical extraction or gentle heating at low scan rates, give variable fractions of the polymorph TRE-alpha, that undergo amorphization upon melting (at lower temperature, T(m)=130 degrees C). Additional procedures for amorphization, such as freeze-drying, spray-drying or evaporation of trehalose solutions, are discussed. All these procedures are classified depending on the capability of the undercooled liquid phase to undergo cold crystallization upon heating the glassy state at temperatures above the glass transition temperature (T(g)=120 degrees C). The recrystallizable amorphous phase is invariably obtained by the melt of the polymorph TRE-alpha, while other procedures always give an amorphous phase that is unable to crystallize above T(g). The existence of two different categories is analyzed in terms of the transformation paths and the hypothesis that the systems may exhibit different molecular mobilities.

  2. An aerosol chamber investigation of the heterogeneous ice nucleating potential of refractory nanoparticles

    Directory of Open Access Journals (Sweden)

    J. M. C. Plane

    2009-11-01

    Full Text Available Nanoparticles of iron oxide (crystalline and amorphous, silicon oxide and magnesium oxide were investigated for their propensity to nucleate ice over the temperature range 180–250 K, using the AIDA chamber in Karlsruhe, Germany.

    All samples were observed to initiate ice formation via the deposition mode at threshold ice super-saturations (RHi thresh ranging from 105% to 140% for temperatures below 220 K. Approximately 10% of amorphous Fe2O3 particles (modal diameter = 30 nm generated in situ from a photochemical aerosol reactor, led to ice nucleation at RHi thresh = 140% at an initial chamber temperature of 182 K. Quantitative analysis using a singular hypothesis treatment provided a fitted function [ns (190 K = 10(3.33×sice+8.16] for the variation in ice-active surface site density (ns: m−2 with ice saturation (sice for Fe2O3 nanoparticles. This was implemented in an aerosol-cloud model to determine a predicted deposition (mass accommodation coefficient for water vapour on ice of 0.1 at temperatures appropriate for the upper atmosphere. Classical nucleation theory was used to determine representative contact angles (θ for the different particle compositions. For the in situ generated Fe2O3 particles, a slight inverse temperature dependence was observed with θ = 10.5° at 182 K, decreasing to 9.0° at 200 K (compared with 10.2° and 11.4°, respectively for the SiO2 and MgO particle samples at the higher temperature.

    These observations indicate that such refractory nanoparticles are relatively efficient materials for the nucleation of ice under the conditions studied in the chamber which correspond to cirrus cloud formation in the upper troposphere. The results also show that Fe2O3 particles do not act as ice nuclei

  3. An aerosol chamber investigation of the heterogeneous ice nucleating potential of refractory nanoparticles

    Directory of Open Access Journals (Sweden)

    R. W. Saunders

    2010-02-01

    Full Text Available Nanoparticles of iron oxide (crystalline and amorphous, silicon oxide and magnesium oxide were investigated for their propensity to nucleate ice over the temperature range 180–250 K, using the AIDA chamber in Karlsruhe, Germany.

    All samples were observed to initiate ice formation via the deposition mode at threshold ice super-saturations (RHithresh ranging from 105% to 140% for temperatures below 220 K. Approximately 10% of amorphous Fe2O3 particles (modal diameter = 30 nm generated in situ from a photochemical aerosol reactor, led to ice nucleation at RHithresh = 140% at an initial chamber temperature of 182 K. Quantitative analysis using a singular hypothesis treatment provided a fitted function [ns(190 K=10(3.33×sice+8.16] for the variation in ice-active surface site density (ns:m−2 with ice saturation (sice for Fe2O3 nanoparticles. This was implemented in an aerosol-cloud model to determine a predicted deposition (mass accommodation coefficient for water vapour on ice of 0.1 at temperatures appropriate for the upper atmosphere. Classical nucleation theory was used to determine representative contact angles (θ for the different particle compositions. For the in situ generated Fe2O3 particles, a slight inverse temperature dependence was observed with θ = 10.5° at 182 K, decreasing to 9.0° at 200 K (compared with 10.2° and 11.4° respectively for the SiO2 and MgO particle samples at the higher temperature.

    These observations indicate that such refractory nanoparticles are relatively efficient materials for the nucleation of ice under the conditions studied in the chamber which correspond to cirrus cloud formation in the upper troposphere. The results also show that Fe2O3 particles do not act as ice

  4. Electrons and phonons in amorphous semiconductors

    Science.gov (United States)

    Prasai, Kiran; Biswas, Parthapratim; Drabold, D. A.

    2016-07-01

    The coupling between lattice vibrations and electrons is one of the central concepts of condensed matter physics. The subject has been deeply studied for crystalline materials, but far less so for amorphous and glassy materials, which are among the most important for applications. In this paper, we explore the electron-lattice coupling using current tools of a first-principles computer simulation. We choose three materials to illustrate the phenomena: amorphous silicon (a-Si), amorphous selenium (a-Se) and amorphous gallium nitride (a-GaN). In each case, we show that there is a strong correlation between the localization of electron states and the magnitude of thermally induced fluctuations in energy eigenvalues obtained from the density-functional theory (i.e. Kohn-Sham eigenvalues). We provide a heuristic theory to explain these observations. The case of a-GaN, a topologically disordered partly ionic insulator, is distinctive compared to the covalent amorphous examples. Next, we explore the consequences of changing the charge state of a system as a proxy for tracking photo-induced structural changes in the materials. Where transport is concerned, we lend insight into the Meyer-Neldel compensation rule and discuss a thermally averaged Kubo-Greenwood formula as a means to estimate electrical conductivity and especially its temperature dependence. We close by showing how the optical gap of an amorphous semiconductor can be computationally engineered with the judicious use of Hellmann-Feynman forces (associated with a few defect states) using molecular dynamics simulations. These forces can be used to close or open an optical gap, and identify a structure with a prescribed gap. We use the approach with plane-wave density functional methods to identify a low-energy amorphous phase of silicon including several coordination defects, yet with a gap close to that of good quality a-Si models.

  5. Nuclear Quantum Effects in Ice Phases and Water from First Principles Calculations

    Science.gov (United States)

    Pamuk, Betul

    Despite the simplicity of the molecule, condensed phases of water show many physical anomalies, some of which are still unexplained to date. This thesis focuses on one striking anomaly that has been largely neglected and never explained. When hydrogen (1H) is replaced by deuterium (2 D), zero point fluctuations of the heavy isotope causes ice to expand, whereas in normal isotope effect, heavy isotope causes volume contraction. Furthermore, in a normal isotope effect, the shift in volume should decrease with increasing temperature, while, in ice, the volume shift increases with increasing temperature and persists up to the melting temperature and also exists in liquid water. In this dissertation, nuclear quantum effects on structural and cohesive properties of different ice polymorphs are investigated. We show that the anomalous isotope effect is well described by first principles density functional theory with van der Waals (vdW-DF) functionals within the quasi-harmonic approximation. Our theoretical modeling explains how the competition between the intra- and inter-molecular bonding of ice leads to an anomalous isotope effect in the volume and bulk modulus of ice. In addition, we predict a normal isotope effect when 16O is replaced by 18O, which is experimentally confirmed. Furthermore, the transition from proton disordered hexagonal phase, ice Ih to proton ordered hexagonal phase, ice XI occurs with a temperature difference between 1H and 2D of 6K, in good agreement with experimental value of 4K. We explain, for first time for that this temperature difference is entirely due to the zero point energy. In the second half of this thesis, we expand our study to the other ice phases: ice Ic, ice IX, ice II, ice VIII, clathrate hydrates, and low and high density amorphous ices. We employ the methodology that we have developed to investigate the isotope effect in structures with different configurations. We show that there is a transition from anomalous isotope effect

  6. Amorphization within the tablet

    DEFF Research Database (Denmark)

    Doreth, Maria; Hussein, Murtadha Abdul; Priemel, Petra A.

    2017-01-01

    , the feasibility of microwave irradiation to prepare amorphous solid dispersions (glass solutions) in situ was investigated. Indomethacin (IND) and polyvinylpyrrolidone K12 (PVP) were tableted at a 1:2 (w/w) ratio. In order to study the influence of moisture content and energy input on the degree of amorphization......, tablet formulations were stored at different relative humidity (32, 43 and 54% RH) and subsequently microwaved using nine different power-time combinations up to a maximum energy input of 90 kJ. XRPD results showed that up to 80% (w/w) of IND could be amorphized within the tablet. mDSC measurements...

  7. Amorphous iron (II) carbonate

    DEFF Research Database (Denmark)

    Sel, Ozlem; Radha, A.V.; Dideriksen, Knud;

    2012-01-01

    exothermic than that of amorphous calcium carbonate (ACC). This suggests that enthalpy of crystallization in carbonate systems is ionic-size controlled, which may have significant implications in a wide variety of conditions, including geological sequestration of anthropogenic carbon dioxide.......Abstract The synthesis, characterization and crystallization energetics of amorphous iron (II) carbonate (AFC) are reported. AFC may form as a precursor for siderite (FeCO3). The enthalpy of crystallization (DHcrys) of AFC is similar to that of amorphous magnesium carbonate (AMC) and more...

  8. Ice Sheets & Ice Cores

    DEFF Research Database (Denmark)

    Mikkelsen, Troels Bøgeholm

    Since the discovery of the Ice Ages it has been evident that Earth’s climate is liable to undergo dramatic changes. The previous climatic period known as the Last Glacial saw large oscillations in the extent of ice sheets covering the Northern hemisphere. Understanding these oscillations known...... as Dansgaard-Oeschger (DO) events would add to our knowledge of the climatic system and – hopefully – enable better forecasts. Likewise, to forecast possible future sea level rise it is crucial to correctly model the large ice sheets on Greenland and Antarctica. This project is divided into two parts...

  9. Influence of the charge trap density distribution in a gate insulator on the positive-bias stress instability of amorphous indium-gallium-zinc oxide thin-film transistors

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Eungtaek; Kim, Choong-Ki; Lee, Myung Keun; Bang, Tewook; Choi, Yang-Kyu; Choi, Kyung Cheol, E-mail: shkp@kaist.ac.kr, E-mail: kyungcc@kaist.ac.kr [School of Electrical Engineering, KAIST, Daejeon 34141 (Korea, Republic of); Park, Sang-Hee Ko, E-mail: shkp@kaist.ac.kr, E-mail: kyungcc@kaist.ac.kr [Department of Material Science and Engineering, KAIST, Daejeon 34141 (Korea, Republic of)

    2016-05-02

    We investigated the positive-bias stress (PBS) instability of thin film transistors (TFTs) composed of different types of first-gate insulators, which serve as a protection layer of the active surface. Two different deposition methods, i.e., the thermal atomic layer deposition (THALD) and plasma-enhanced ALD (PEALD) of Al{sub 2}O{sub 3}, were applied for the deposition of the first GI. When THALD was used to deposit the GI, amorphous indium-gallium-zinc oxide (a-IGZO) TFTs showed superior stability characteristics under PBS. For example, the threshold voltage shift (ΔV{sub th}) was 0 V even after a PBS time (t{sub stress}) of 3000 s under a gate voltage (V{sub G}) condition of 5 V (with an electrical field of 1.25 MV/cm). On the other hand, when the first GI was deposited by PEALD, the ΔV{sub th} value of a-IGZO TFTs was 0.82 V after undergoing an identical amount of PBS. In order to interpret the disparate ΔV{sub th} values resulting from PBS quantitatively, the average oxide charge trap density (N{sub T}) in the GI and its spatial distribution were investigated through low-frequency noise characterizations. A higher N{sub T} resulted during in the PEALD type GI than in the THALD case. Specifically, the PEALD process on a-IGZO layer surface led to an increasing trend of N{sub T} near the GI/a-IGZO interface compared to bulk GI owing to oxygen plasma damage on the a-IGZO surface.

  10. Amorphous pharmaceutical solids.

    Science.gov (United States)

    Vranić, Edina

    2004-07-01

    Amorphous forms are, by definition, non-crystalline materials which possess no long-range order. Their structure can be thought of as being similar to that of a frozen liquid with the thermal fluctuations present in a liquid frozen out, leaving only "static" structural disorder. The amorphous solids have always been an essential part of pharmaceutical research, but the current interest has been raised by two developments: a growing attention to pharmaceutical solids in general, especially polymorphs and solvates and a revived interest in the science of glasses and the glass transition. Amorphous substances may be formed both intentionally and unintentionally during normal pharmaceutical manufacturing operations. The properties of amorphous materials can be exploited to improve the performance of pharmaceutical dosage forms, but these properties can also give rise to unwanted effects that need to be understood and managed in order for the systems to perform as required.

  11. Amorphous Solid Water:

    DEFF Research Database (Denmark)

    Wenzel, Jack; Linderstrøm-Lang, C. U.; Rice, Stuart A.

    1975-01-01

    The structure factor of amorphous solid D2O deposited from the vapor at 10°K has been obtained by measuring the neutron diffraction spectrum in the wave vector transfer from 0.8 to 12.3 reciprocal angstroms. The results indicate that the phase investigated is amorphous and has a liquiid-like stru......The structure factor of amorphous solid D2O deposited from the vapor at 10°K has been obtained by measuring the neutron diffraction spectrum in the wave vector transfer from 0.8 to 12.3 reciprocal angstroms. The results indicate that the phase investigated is amorphous and has a liquiid...

  12. CONDUCTION MECHANISM IN AMORPHOUS As2S3

    African Journals Online (AJOL)

    User

    amorphous solids has received considerable attention ... Hydrogen sulphide gas was passed ... stricted to rather low conductivity values, and, ... The densities of localised states decrease gradu- .... Mott (1970) have suggested a much smaller.

  13. RF Sputtering for preparing substantially pure amorphous silicon monohydride

    Science.gov (United States)

    Jeffrey, Frank R.; Shanks, Howard R.

    1982-10-12

    A process for controlling the dihydride and monohydride bond densities in hydrogenated amorphous silicon produced by reactive rf sputtering of an amorphous silicon target. There is provided a chamber with an amorphous silicon target and a substrate therein with the substrate and the target positioned such that when rf power is applied to the target the substrate is in contact with the sputtering plasma produced thereby. Hydrogen and argon are fed to the chamber and the pressure is reduced in the chamber to a value sufficient to maintain a sputtering plasma therein, and then rf power is applied to the silicon target to provide a power density in the range of from about 7 watts per square inch to about 22 watts per square inch to sputter an amorphous silicon hydride onto the substrate, the dihydride bond density decreasing with an increase in the rf power density. Substantially pure monohydride films may be produced.

  14. Uplift rates from a new high-density GPS network in Palmer Land indicate significant late Holocene ice loss in the southwestern Weddell Sea

    DEFF Research Database (Denmark)

    Wolstencroft, Martin; King, Matt A.; Whitehouse, Pippa L

    2015-01-01

    The measurement of ongoing ice-mass loss and associated melt water contribution to sea-level change from regions such as West Antarctica is dependent on a combination of remote sensing methods. A key method, the measurement of changes in Earth's gravity via the GRACE satellite mission, requires...... understanding of ice history in this region. A sufficiently complete history of past ice-load change is required for glacial isostatic adjustment models to accurately predict the spatial variation of ongoing solid Earth deformation, once the independently-constrained effects of present-day ice mass loss have...... a potentially large correction to account for the isostatic response of the solid Earth to ice-load changes since the Last Glacial Maximum. In this study, we combine glacial isostatic adjustment modelling with a new GPS dataset of solid Earth deformation for the southern Antarctic Peninsula to test the current...

  15. Rotating ice blocks

    Science.gov (United States)

    Dorbolo, Stephane; Adami, Nicolas; Grasp Team

    2014-11-01

    The motion of ice discs released at the surface of a thermalized bath was investigated. As observed in some rare events in the Nature, the discs start spinning spontaneously. The motor of this motion is the cooling of the water close to the ice disc. As the density of water is maximum at 4°C, a downwards flow is generated from the surface of the ice block to the bottom. This flow generates the rotation of the disc. The speed of rotation depends on the mass of the ice disc and on the temperature of the bath. A model has been constructed to study the influence of the temperature of the bath. Finally, ice discs were put on a metallic plate. Again, a spontaneous rotation was observed. FNRS is thanked for financial support.

  16. Infrared Spectra and Optical Constants of Elusive Amorphous Methane

    Science.gov (United States)

    Gerakines, Perry A.; Hudson, Reggie L.

    2015-01-01

    New and accurate laboratory results are reported for amorphous methane (CH4) ice near 10 K for the study of the interstellar medium (ISM) and the outer Solar System. Near- and mid-infrared (IR) data, including spectra, band strengths, absorption coefficients, and optical constants, are presented for the first time for this seldom-studied amorphous solid. The apparent IR band strength near 1300 cm(exp -1) (7.69 micrometer) for amorphous CH4 is found to be about 33% higher than the value long used by IR astronomers to convert spectral observations of interstellar CH4 into CH4 abundances. Although CH4 is most likely to be found in an amorphous phase in the ISM, a comparison of results from various laboratory groups shows that the earlier CH4 band strength at 1300 cm(exp -1) (7.69 micrometer) was derived from IR spectra of ices that were either partially or entirely crystalline CH4 Applications of the new amorphous-CH4 results are discussed, and all optical constants are made available in electronic form.

  17. Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption

    CERN Document Server

    Arasa, C; Cuppen, H M; van Dishoweck, E F; Kroes, G -J; 10.1063/1.3422213

    2010-01-01

    The ultraviolet (UV) photodissociation of amorphous water ice at different ice temperatures is investigated using molecular dynamics (MD) simulations and analytical potentials. Previous MD calculations of UV photodissociation of amorphous and crystalline water ice at 10 K [S. Andersson et al., J. Chem. Phys. 124, 064715 (2006)] revealed -for both types of ice- that H atom, OH, and H2O desorption are the most important processes after photoexcitation in the uppermost layers of the ice. Water desorption takes place either by direct desorption of recombined water, or when, after dissociation, an H atom transfers part of its kinetic energy to one of the surrounding water molecules which is thereby kicked out from the ice. We present results of MD simulations of UV photodissociation of amorphous ice at 10, 20, 30, and 90 K in order to analyze the effect of ice temperature on UV photodissociation processes. Desorption and trapping probabilities are calculated for photoexcitation of H2O in the top four monolayers an...

  18. Possible existence of two amorphous phases of D-mannitol related by a first-order transition

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Men; Yu, Lian, E-mail: lian.yu@wisc.edu [Department of Chemistry and School of Pharmacy, University of Wisconsin-Madison, Madison, Wisconsin 53705 (United States); Wang, Jun-Qiang; Perepezko, John H. [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

    2015-06-28

    We report that the common polyalcohol D-mannitol may have two amorphous phases related by a first-order transition. Slightly above its glass transition temperature T{sub g} (284 K), the supercooled liquid (SCL) of D-mannitol transforms to a low-energy, apparently amorphous phase with stronger hydrogen bonds. The enthalpy of this so-called Phase X is approximately halfway between those of the known amorphous and crystalline phases, a position low for glass aging and high for crystal polymorphs. Similar to the SCL, Phase X is transparent with broad X-ray diffraction and Raman scattering; upon temperature cycling, it exhibits a glass-transition-like change of heat capacity. On fast heating, Phase X transforms back to the SCL near T{sub g} + 50 K, enabling a determination of their equilibrium temperature. The presence of D-sorbitol as a plasticizer enables observation of a first-order transition from the SCL to Phase X entirely in the liquid state (liquid-liquid transition). The transition from D-mannitol’s SCL to Phase X has intriguing similarities with the formation of the glacial phase of triphenyl phosphite (TPP) and the conversion from high-density to low-density amorphous ice, both studied intensely in the context of polyamorphism. All three processes occur near T{sub g} with substantial enthalpy decrease toward the crystalline phases; the processes in water and D-mannitol both strengthen the hydrogen bonds. In contrast to TPP, D-mannitol’s Phase X forms more rapidly and can transform back to the SCL. These features make D-mannitol a valuable new model for understanding polyamorphism.

  19. Only Amorphous Ethanethiol Exists in the Interstellar Medium

    Science.gov (United States)

    Sivaraman, Bhalamurugan; Mason, Nigel; Chakrabarti, Sandip Kumar; Das, Ankan; Gorai, Prasanta; Rajan, Rabin; Pradeep, T.; Sundararajan, Pavithraa; Cheng, Bing-Ming

    2016-07-01

    In the ISM, it is now recognised that many molecular species are synthesised on the surface of dust grains which remain within the icy mantles on these grains until desorbed or sputtered (e.g., during star or planetary formation processes). Spitzer has revealed the presence of molecular ices in the dense clouds of the ISM but it is the advent of ALMA and then JWST that is expected to reveal the chemical complexity of such ices. Since the detection of methanol (CH_3OH) in Sgr A and Sgr B2 and hydrogen sulphide (H_2S) in Sgr B2, and other sources, it was long expected that a molecule containing thiol group could the synthesized in the complex chemical regions of the ISM. In 1979, first detection of methanethiol in Sgr B2 was reported. However, the first report on the detection of the higher order thiol, ethanethiol, has only been made recently in Orion KL, 30 years after the first observations of methanethiol, although the necessary precursors were detected earlier, ethylene in IRC +10216, ethanol in Sgr B2 and hydrogen sulfide. In the laboratory for experimental astrochemistry facility in PRL, thiol ices on cold dust grains are simulated and are probed by the FTIR for the first time. Ethanethiol ices were formed on zinc selenide substrate cooled to 10 K in an ultrahigh vacuum chamber. An infrared spectrum recorded after forming the ethanethiol ice at 10K revealed the ice formed to be amorphous in nature. Ices thus formed are then gradually warmed to higher temperatures with subsequent recording of infrared spectra. From the spectrum recorded at 180K, ethanethiol molecules from the ice phase were found to sublime. Until sublimation, which is typical indication for molecules turning from amorphous to crystalline phase, significant change in the infrared spectra, was not observed. Therefore we conclude that ethanethiol exists only in amorphous phase in the icy mantles of the cold dust grains. It is also the first known largest molecule to be present only in the

  20. Ice sheets as a missing source of silica to the polar oceans

    Science.gov (United States)

    Hawkings, Jon R.; Wadham, Jemma L.; Benning, Liane G.; Hendry, Katharine R.; Tranter, Martyn; Tedstone, Andrew; Nienow, Peter; Raiswell, Rob

    2017-01-01

    Ice sheets play a more important role in the global silicon cycle than previously appreciated. Input of dissolved and amorphous particulate silica into natural waters stimulates the growth of diatoms. Here we measure dissolved and amorphous silica in Greenland Ice Sheet meltwaters and icebergs, demonstrating the potential for high ice sheet export. Our dissolved and amorphous silica flux is 0.20 (0.06-0.79) Tmol year-1, ~50% of the input from Arctic rivers. Amorphous silica comprises >95% of this flux and is highly soluble in sea water, as indicated by a significant increase in dissolved silica across a fjord salinity gradient. Retreating palaeo ice sheets were therefore likely responsible for high dissolved and amorphous silica fluxes into the ocean during the last deglaciation, reaching values of ~5.5 Tmol year-1, similar to the estimated export from palaeo rivers. These elevated silica fluxes may explain high diatom productivity observed during the last glacial-interglacial period.

  1. Ices in space

    Science.gov (United States)

    Greenberg, J. Mayo; van de Bult, C. E. P. M.; Allamandola, Louis J.

    The chemical and physical properties of ice grains in interstellar space have been studied in the laboratory and theoretically modeled to compare with astronomical spectra between 2700 and 3700/cm. The observed polarization of starlight in this region clearly indicates that elongated particles are involved. Absorption characteristics for various shaped grains whose radii vary from approximately 0.1 to 1.0 micrometer, containing either pure amorphous H20 or amorphous mixtures of H20 with NH3, have been calculated with the aim of narrowing the range of acceptable grain parameters. By comparing the band shapes for spherical, spheroidal, and cylindrical grains with astronomical spectra we show that elongated particles whose radii are approximately equal to 0.15 micrometer produce an acceptable match and that both spherical and elongated particles whose radii are greater than or equal to 0.5 micrometer are definitely not consistent with observations. Details of the band shape are shown to depend on particle size, shape, and composition. Similar profiles can be produced by using different combinations of particle shape and composition. For example, the NH3 signature at 2.97 micrometer, which is prominent in a spherical grain, is greatly suppressed when in an elongated grain. This is exactly equivalent to reducing the concentration of NH3 in a spherical grain. A morphological grain model is used to explain the large variations in the observed strength of the 3.07 micrometer ice band from one region of space to another.

  2. Extraction of Ice Sheet Layers from Two Intersected Radar Echograms Near Neem Ice Core in Greenland

    Science.gov (United States)

    Xiong, S.; Muller, J.-P.

    2016-06-01

    Accumulation of snow and ice over time result in ice sheet layers. These can be remotely sensed where there is a contrast in electromagnetic properties, which reflect variations of the ice density, acidity and fabric orientation. Internal ice layers are assumed to be isochronous, deep beneath the ice surface, and parallel to the direction of ice flow. The distribution of internal layers is related to ice sheet dynamics, such as the basal melt rate, basal elevation variation and changes in ice flow mode, which are important parameters to model the ice sheet. Radar echo sounder is an effective instrument used to study the sedimentology of the Earth and planets. Ice Penetrating Radar (IPR) is specific kind of radar echo sounder, which extends studies of ice sheets from surface to subsurface to deep internal ice sheets depending on the frequency utilised. In this study, we examine a study site where folded ice occurs in the internal ice sheet south of the North Greenland Eemian ice drilling (NEEM) station, where two intersected radar echograms acquired by the Multi-channel Coherent Radar Depth Sounder (MCoRDS) employed in the NASA's Operation IceBridge (OIB) mission imaged this folded ice. We propose a slice processing flow based on a Radon Transform to trace and extract these two sets of curved ice sheet layers, which can then be viewed in 3-D, demonstrating the 3-D structure of the ice folds.

  3. NMR studies of electronic structure in crystalline and amorphous Zr2PdH/x/

    Science.gov (United States)

    Bowman, R. C., Jr.; Johnson, W. L.; Maeland, A. J.; Rhim, W.-K.

    1983-01-01

    The proton Knight shifts and spin-lattice relaxation times have been measured in crystalline and amorphous Ze2PdH(x). Core polarization from the Zr d-band dominates the proton hyperfine interactions. The density of Fermi level d-electron states is reduced in the amorphous phase relative to the electron density in crystalline Zr2PdH(x).

  4. Influence of corrosion on surface magnetic density in amorphous and nanocrystalline Fe{sub 73.5}Cu{sub 1}Nb{sub 3}Si{sub 13.5}B{sub 9} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tejedor, M [Departamento de FIsica, Universidad de Oviedo, c/ Calvo Sotelo s/n, 33007 Oviedo (Spain); GarcIa, J A [Departamento de FIsica, Universidad de Oviedo, c/ Calvo Sotelo s/n, 33007 Oviedo (Spain); Elbaile, L [Departamento de FIsica, Universidad de Oviedo, c/ Calvo Sotelo s/n, 33007 Oviedo, (Spain); Santos, J D [Departamento de FIsica, Universidad de Oviedo, c/ Calvo Sotelo s/n, 33007 Oviedo (Spain); Pierna, A R [Departamento de IngenierIa QuImica y Medio Ambiente, Universidad del PaIs Vasco, PO Box 1379, 20080 San Sebastian (Spain); Vara, G [Departamento de IngenierIa QuImica y Medio Ambiente, Universidad del PaIs Vasco, PO Box 1379, 20080 San Sebastian (Spain); Marzo, F F [Departamento de IngenierIa QuImica y Medio Ambiente, Universidad del PaIs Vasco, PO Box 1379, 20080 San Sebastian (Spain)

    2004-04-21

    The variation of surface magnetization with corrosion in Fe{sub 73.5}Cu{sub 1}Nb{sub 3}Si{sub 13.5}B{sub 9} in the amorphous and nanocrystalline states is investigated. The results show that in the amorphous samples when the oxidized layer increases the surface saturation magnetization decreases. However, in the nanocrystalline samples the surface saturation magnetization does not change significantly with the corrosion process but the approximation to saturation is different in the non-oxidized and oxidized nanocrystalline samples. In the case of non-oxidized samples, the surface saturation magnetization is reached at a low applied magnetic field (1000 Am{sup -1}), whereas in the oxidized samples it is reached at a higher applied magnetic field of 7000 and 9000 Am{sup -1} for the samples annealed at 520 deg. C for 60 min and 30 min, respectively.

  5. Ice Cores

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Records of past temperature, precipitation, atmospheric trace gases, and other aspects of climate and environment derived from ice cores drilled on glaciers and ice...

  6. Interactions of adsorbed CO$_2$ on water ice at low temperatures

    CERN Document Server

    Karssemeijer, L J; Cuppen, H M

    2014-01-01

    We present a computational study into the adsorption properties of CO$_2$ on amorphous and crystalline water surfaces under astrophysically relevant conditions. Water and carbon dioxide are two of the most dominant species in the icy mantles of interstellar dust grains and a thorough understanding of their solid phase interactions at low temperatures is crucial for understanding the structural evolution of the ices due to thermal segregation. In this paper, a new H$_2$O-CO$_2$ interaction potential is proposed and used to model the ballistic deposition of CO$_2$ layers on water ice surfaces, and to study the individual binding sites at low coverages. Contrary to recent experimental results, we do not observe CO$_2$ island formation on any type of water substrate. Additionally, density functional theory calculations are performed to assess the importance of induced electrostatic interactions.

  7. Ice cores

    DEFF Research Database (Denmark)

    Svensson, Anders

    2014-01-01

    Ice cores from Antarctica, from Greenland, and from a number of smaller glaciers around the world yield a wealth of information on past climates and environments. Ice cores offer unique records on past temperatures, atmospheric composition (including greenhouse gases), volcanism, solar activity......, dustiness, and biomass burning, among others. In Antarctica, ice cores extend back more than 800,000 years before present (Jouzel et al. 2007), whereas. Greenland ice cores cover the last 130,000 years...

  8. Ice cores

    DEFF Research Database (Denmark)

    Svensson, Anders

    2014-01-01

    Ice cores from Antarctica, from Greenland, and from a number of smaller glaciers around the world yield a wealth of information on past climates and environments. Ice cores offer unique records on past temperatures, atmospheric composition (including greenhouse gases), volcanism, solar activity......, dustiness, and biomass burning, among others. In Antarctica, ice cores extend back more than 800,000 years before present (Jouzel et al. 2007), whereas. Greenland ice cores cover the last 130,000 years...

  9. Transmission and Trapping of Cold Electrons in Water Ice

    DEFF Research Database (Denmark)

    Balog, Richard; Cicman, Peter; Field, David

    2011-01-01

    Experiments are reported that show currents of low energy (“cold”) electrons pass unattenuated through crystalline ice at 135 K for energies between zero and 650 meV, up to the maximum studied film thickness of 430 bilayers, showing negligible apparent trapping. By contrast, both porous amorphous...... ice and compact crystalline ice at 40 K show efficient electron trapping. Ice at intermediate temperatures reveals metastable trapping that decays within a few hundred seconds at 110 K. Our results are the first to demonstrate full transmission of cold electrons in high temperature water ice...

  10. Ice Cream

    NARCIS (Netherlands)

    Scholten, E.

    2014-01-01

    Ice cream is a popular dessert, which owes its sensorial properties (mouth feel) to its complex microstructure. The microstructure is a result of the combination of the ingredients and the production process. Ice cream is produced by simultaneous freezing and shearing of the ice cream mix, which

  11. Ice Cream

    NARCIS (Netherlands)

    Scholten, E.

    2014-01-01

    Ice cream is a popular dessert, which owes its sensorial properties (mouth feel) to its complex microstructure. The microstructure is a result of the combination of the ingredients and the production process. Ice cream is produced by simultaneous freezing and shearing of the ice cream mix, which res

  12. Properties of amorphous carbon

    CERN Document Server

    2003-01-01

    Amorphous carbon has a wide range of properties that are primarily controlled by the different bond hydridisations possible in such materials. This allows for the growth of an extensive range of thin films that can be tailored for specific applications. Films can range from those with high transparency and are hard diamond-like, through to those which are opaque, soft and graphitic-like. Films with a high degree of sp3 bonding giving the diamond-like properties are used widely by industry for hard coatings. Application areas including field emission cathodes, MEMS, electronic devices, medical and optical coatings are now close to market. Experts in amorphous carbon have been drawn together to produce this comprehensive commentary on the current state and future prospects of this highly functional material.

  13. Magnetostrictive amorphous bimetal sensors

    CERN Document Server

    Mehnen, L; Kaniusas, E

    2000-01-01

    The paper describes the application of a magnetostrictive amorphous ribbon (AR) for the detection of bending. In order to increase sensitivity, a bimetal structure is used which consists of AR and a nonmagnetic carrier ribbon. Several methods for the preparation of the bimetal are discussed. Results of the bending sensitivities are given for various combinations of the material types indicating crucial problems of bimetal preparation.

  14. Atomistic models of hydrogenated amorphous silicon nitride from first principles

    NARCIS (Netherlands)

    Jarolimek, K.; Groot, R.A. de; Wijs, G.A. de; Zeman, M.

    2010-01-01

    We present a theoretical study of hydrogenated amorphous silicon nitride (a-SiNx:H), with equal concentrations of Si and N atoms (x=1), for two considerably different densities (2.0 and 3.0 g/cm3). Densities and hydrogen concentration were chosen according to experimental data. Using

  15. Distribution, density and abundance of the western Baltic herring ( Clupea harengus ) in the Sound (ICES Subdivision 23) in relation to hydrographical features

    DEFF Research Database (Denmark)

    Nielsen, J. Rasmus; Lundgren, Bo; Jensen, T. F.

    2001-01-01

    Biomass and duration of the over-wintering period of the Rugen spring spawning herring stock (RHS) in the Sound (ICES Subdivison 23) were investigated as well as possible hydrographical factors affecting relative distribution and triggering southwards migration towards the spawning grounds...

  16. Uplift rates from a new high-density GPS network in Palmer Land indicate significant late Holocene ice loss in the southwestern Weddell Sea

    NARCIS (Netherlands)

    Wolstencroft, M.; King, M.A.; Whitehouse, P.L.; Bentley, M.J.; Nield, G.A.; King, E.C.; McMillan, M.; Shepherd, A.; Barletta, V.; Bordoni, A.; Riva, R.E.M.; Didova, O.; Gunter, B.C.

    2015-01-01

    The measurement of ongoing ice-mass loss and associated melt water contribution to sea-level change from regions such as West Antarctica is dependent on a combination of remote sensing methods. A key method, the measurement of changes in Earth's gravity via the GRACE satellite mission, requires a po

  17. Local Structure in Ab Initio Liquid Water: Signatures of Amorphous Phases

    Science.gov (United States)

    Santra, Biswajit; Distasio, Robert A., Jr.; Martelli, Fausto; Car, Roberto

    Within the framework of density functional theory, the inclusion of exact exchange and non-local van der Waals/dispersion interactions is crucial for predicting a microscopic structure of ambient liquid water that quantitatively agrees with experiment. In this work, we have used the local structure index (LSI) order parameter to analyze the local structure in such highly accurate ab initio liquid water. At ambient conditions, the LSI probability distribution, P(I), was unimodal with most water molecules characterized by more disordered high-density-like local environments. With thermal excitations removed, the resultant bimodal P(I) in the inherent potential energy surface (IPES) exhibited a 3:1 ratio between high- and low-density-like molecules, with the latter forming small connected clusters amid the predominant population. By considering the spatial correlations and hydrogen bond network topologies among water molecules with the same LSI identities, we demonstrate that the signatures of the experimentally observed low- and high-density amorphous phases of ice are present in the IPES of ambient liquid water This work was supported by the DOE: DE-SC0008626, DE-SC0005180.

  18. Legal Ice?

    DEFF Research Database (Denmark)

    Strandsbjerg, Jeppe

    The idealised land|water dichotomy is most obviously challenged by ice when ‘land practice’ takes place on ice or when ‘maritime practice’ is obstructed by ice. Both instances represent disparity between the legal codification of space and its social practice. Logically, then, both instances call...... for alternative legal thought and practice; in the following I will emphasise the former and reflect upon the relationship between ice, law and politics. Prior to this workshop I had worked more on the relationship between cartography, geography and boundaries than specifically on ice. Listening to all...... the interesting conversations during the workshop, however, made me think that much of the concern with the Polar Regions in general, and the presence of ice in particular, reverberates around the question of how to accommodate various geographical presences and practices within the regulatory framework that we...

  19. Sea Ice

    Science.gov (United States)

    Perovich, D.; Gerland, S.; Hendricks, S.; Meier, Walter N.; Nicolaus, M.; Richter-Menge, J.; Tschudi, M.

    2013-01-01

    During 2013, Arctic sea ice extent remained well below normal, but the September 2013 minimum extent was substantially higher than the record-breaking minimum in 2012. Nonetheless, the minimum was still much lower than normal and the long-term trend Arctic September extent is -13.7 per decade relative to the 1981-2010 average. The less extreme conditions this year compared to 2012 were due to cooler temperatures and wind patterns that favored retention of ice through the summer. Sea ice thickness and volume remained near record-low levels, though indications are of slightly thicker ice compared to the record low of 2012.

  20. DETECTIONS OF TRANS-NEPTUNIAN ICE IN PROTOPLANETARY DISKS

    Energy Technology Data Exchange (ETDEWEB)

    McClure, M. K.; Calvet, N.; Bergin, E.; Cleeves, L. I. [Department of Astronomy, The University of Michigan, 500 Church Street, 830 Dennison Bldg., Ann Arbor, MI 48109 (United States); Espaillat, C. [Department of Astronomy, Boston University, 725 Commonwealth Avenue, Boston, MA 02215 (United States); D' Alessio, P. [Centro de Radioastronomía y Astrofísica, Universidad NacionalAUtónoma de México, 58089 Morelia, Michoacán (Mexico); Watson, D. M. [Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627 (United States); Manoj, P. [Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400005 (India); Sargent, B., E-mail: melisma@umich.edu, E-mail: ncalvet@umich.edu, E-mail: ebergin@umich.edu, E-mail: cleeves@umich.edu, E-mail: cce@bu.edu, E-mail: p.dalessio@crya.unam.mx, E-mail: dmw@pas.rochester.edu, E-mail: manoj.puravankara@tifr.res.in, E-mail: baspci@rit.edu [Center for Imaging Science and Laboratory for Multiwavelength Astrophysics, Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States)

    2015-02-01

    We present Herschel Space Observatory PACS spectra of T Tauri stars, in which we detect amorphous and crystalline water ice features. Using irradiated accretion disk models, we determine the disk structure and ice abundance in each of the systems. Combining a model-independent comparison of the ice feature strength and disk size with a detailed analysis of the model ice location, we estimate that the ice emitting region is at disk radii >30 AU, consistent with a proto-Kuiper belt. Vertically, the ice emits most below the photodesorption zone, consistent with Herschel observations of cold water vapor. The presence of crystallized water ice at a disk location (1) colder than its crystallization temperature and (2) where it should have been re-amorphized in ∼1 Myr suggests that localized generation is occurring; the most likely cause appears to be micrometeorite impact or planetesimal collisions. Based on simple tests with UV models and different ice distributions, we suggest that the SED shape from 20 to 50 μm may probe the location of the water ice snowline in the disk upper layers. This project represents one of the first extra-solar probes of the spatial structure of the cometary ice reservoir thought to deliver water to terrestrial planets.

  1. Tuning Ice Nucleation with Supercharged Polypeptides

    NARCIS (Netherlands)

    Yang, Huige; Ma, Chao; Li, Kaiyong; Liu, Kai; Loznik, Mark; Teeuwen, Rosalie; van Hest, Jan C M; Zhou, Xin; Herrmann, Andreas; Wang, Jianjun

    2016-01-01

    Supercharged unfolded polypeptides (SUPs) are exploited for controlling ice nucleation via tuning the nature of charge and charge density of SUPs. The results show that positively charged SUPs facilitate ice nucleation, while negatively charged ones suppress it. Moreover, the charge density of the S

  2. Amorphous drugs and dosage forms

    DEFF Research Database (Denmark)

    Grohganz, Holger; Löbmann, K.; Priemel, P.

    2013-01-01

    The transformation to an amorphous form is one of the most promising approaches to address the low solubility of drug compounds, the latter being an increasing challenge in the development of new drug candidates. However, amorphous forms are high energy solids and tend to recry stallize. New form...

  3. Modified PIC Method for Sea Ice Dynamics

    Institute of Scientific and Technical Information of China (English)

    WANG Rui-xue; JI Shun-ying; SHEN Hung-tao; YUE Qian-jin

    2005-01-01

    The sea ice cover displays various dynamical characteristics such as breakup, rafting, and ridging under external forces. To model the ice dynamic process accurately, the effective numerical modeling method should be established. In this paper, a modified particle-in-cell (PIC) method for sea ice dynamics is developed coupling the finite difference (FD) method and smoothed particle hydrodynamics (SPH). In this method, the ice cover is first discretized into a series of Lagrangian ice particles which have their own sizes, thicknesses, concentrations and velocities. The ice thickness and concentration at Eulerian grid positions are obtained by interpolation with the Gaussian function from their surrounding ice particles. The momentum of ice cover is solved with FD approach to obtain the Eulerian cell velocity, which is used to estimate the ice particle velocity with the Gaussian function also. The thickness and concentration of ice particles are adjusted with particle mass density and smooth length, which are adjusted with the redistribution of ice particles. With the above modified PIC method, numerical simulations for ice motion in an idealized rectangular basin and the ice dynamics in the Bohai Sea are carried out. These simulations show that this modified PIC method is applicable to sea ice dynamics simulation.

  4. Interstellar Ices

    CERN Document Server

    Boogert, A C A

    2003-01-01

    Currently ~36 different absorption bands have been detected in the infrared spectra of cold, dense interstellar and circumstellar environments. These are attributed to the vibrational transitions of ~17 different molecules frozen on dust grains. We review identification issues and summarize the techniques required to extract information on the physical and chemical evolution of these ices. Both laboratory simulations and line of sight studies are essential. Examples are given for ice bands observed toward high mass protostars, fields stars and recent work on ices in disks surrounding low mass protostars. A number of clear trends have emerged in recent years. One prominent ice component consists of an intimate mixture between H2O, CH3OH and CO2 molecules. Apparently a stable balance exists between low temperature hydrogenation and oxidation reactions on grain surfaces. In contrast, an equally prominent ice component, consisting almost entirely of CO, must have accreted directly from the gas phase. Thermal proc...

  5. Computer model of tetrahedral amorphous diamond

    Science.gov (United States)

    Djordjević, B. R.; Thorpe, M. F.; Wooten, F.

    1995-08-01

    We computer generate a model of amorphous diamond using the Wooten-Weaire method, with fourfold coordination everywhere. We investigate two models: one where four-membered rings are allowed and the other where the four-membered rings are forbidden; each model consisting of 4096 atoms. Starting from the perfect diamond crystalline structure, we first randomize the structure by introducing disorder through random bond switches at a sufficiently high temperature. Subsequently, the temperature is reduced in stages, and the topological and geometrical relaxation of the structure takes place using the Keating potential. After a long annealing process, a random network of comparatively low energy is obtained. We calculate the pair distribution function, mean bond angle, rms angular deviation, rms bond length, rms bond-length deviation, and ring statistics for the final relaxed structures. We minimize the total strain energy by adjusting the density of the sample. We compare our results with similar computer-generated models for amorphous silicon, and with experimental measurement of the structure factor for (predominantly tetrahedral) amorphous carbon.

  6. Interactions of hydrogen with amorphous hafnium oxide

    Science.gov (United States)

    Kaviani, Moloud; Afanas'ev, Valeri V.; Shluger, Alexander L.

    2017-02-01

    We used density functional theory (DFT) calculations to study the interaction of hydrogen with amorphous hafnia (a -HfO2 ) using a hybrid exchange-correlation functional. Injection of atomic hydrogen, its diffusion towards electrodes, and ionization can be seen as key processes underlying charge instability of high-permittivity amorphous hafnia layers in many applications. Hydrogen in many wide band gap crystalline oxides exhibits negative-U behavior (+1 and -1 charged states are thermodynamically more stable than the neutral state) . Our results show that in a -HfO2 hydrogen is also negative-U, with charged states being the most thermodynamically stable at all Fermi level positions. However, metastable atomic hydrogen can share an electron with intrinsic electron trapping precursor sites [Phys. Rev. B 94, 020103 (2016)., 10.1103/PhysRevB.94.020103] forming a [etr -+O -H ] center, which is lower in energy on average by about 0.2 eV. These electron trapping sites can affect both the dynamics and thermodynamics of the interaction of hydrogen with a -HfO2 and the electrical behavior of amorphous hafnia films in CMOS devices.

  7. Deep-level transient spectroscopy on an amorphous InGaZnO4 Schottky diode

    NARCIS (Netherlands)

    Chasin, A.; Simoen, E.; Bhoolokam, A.; Nag, M.; Genoe, J.; Gielen, G.; Heremans, P.

    2014-01-01

    The first direct measurement is reported of the bulk density of deep states in amorphous IGZO (indium-gallium-zinc oxide) semiconductor by means of deep-level transient spectroscopy (DLTS). The device under test is a Schottky diode of amorphous IGZO semiconductor on a palladium (Pd) Schottky-barrier

  8. Beyond amorphous organic semiconductors

    Science.gov (United States)

    Hanna, Jun-ichi

    2003-07-01

    Recently it has been discovered that some types of liquid crystals, which believed to be governed by ionic conduction, exhibit a very fast electronic conduction. Their charge carrier transport is characterized by high mobility over 10-2 cm2/Vs independent of electric field and temperature. Now, the liquid crystals are being recognized as a new class of organic semiconductors. In this article, a new aspect of liquid crystals as a self-organizing molecular semiconductor are reviewed, focused on their basic charge carrier transport properties and discussed in comparison with those of molecular crystals and amorphous materials. And it is concluded that the liquid crystal is promising as a quality organic semiconductor for the devices that require a high mobility.

  9. Primary spectrum and composition with IceCube/IceTop

    CERN Document Server

    ,

    2016-01-01

    IceCube, with its surface array IceTop, detects three different components of extensive air showers: the total signal at the surface, GeV muons in the periphery of the showers and TeV muons in the deep array of IceCube. The spectrum is measured with high resolution from the knee to the ankle with IceTop. Composition and spectrum are extracted from events seen in coincidence by the surface array and the deep array of IceCube. The muon lateral distribution at the surface is obtained from the data and used to provide a measurement of the muon density at 600 meters from the shower core up to 30 PeV. Results are compared to measurements from other experiments to obtain an overview of the spectrum and composition over an extended range of energy. Consistency of the surface muon measurements with hadronic interaction models and with measurements at higher energy is discussed.

  10. Emergent interparticle interactions in thermal amorphous solids

    Science.gov (United States)

    Gendelman, Oleg; Lerner, Edan; Pollack, Yoav G.; Procaccia, Itamar; Rainone, Corrado; Riechers, Birte

    2016-11-01

    Amorphous media at finite temperatures, be them liquids, colloids, or glasses, are made of interacting particles that move chaotically due to thermal energy, continuously colliding and scattering off each other. When the average configuration in these systems relaxes only at long times, one can introduce effective interactions that keep the mean positions in mechanical equilibrium. We introduce a framework to determine the effective force laws that define an effective Hessian that can be employed to discuss stability properties and the density of states of the amorphous system. We exemplify the approach with a thermal glass of hard spheres; these experience zero forces when not in contact and infinite forces when they touch. Close to jamming we recapture the effective interactions that at temperature T depend on the gap h between spheres as T /h [C. Brito and M. Wyart, Europhys. Lett. 76, 149 (2006), 10.1209/epl/i2006-10238-x]. For hard spheres at lower densities or for systems whose binary bare interactions are longer ranged (at any density), the emergent force laws include ternary, quaternary, and generally higher-order many-body terms, leading to a temperature-dependent effective Hessian.

  11. MONTE-CARLO SIMULATION FOR ATOMIC DEPOSITION OF AMORPHOUS ELECTROLESS Ni80P20 COATING

    Institute of Scientific and Technical Information of China (English)

    K.S. Guan; H.R. Bai; Z.W. Wang; Y.S. Yin

    2002-01-01

    Atomic growth process and structure of Amorphous Electroless Coating have beenstudied, using Monte-Carlo simulation method. The simulation results of amorphousNi80P20 coating show that PDFs are in accordance with practical values. The mi-grations of adatoms in coating's growth are different from that of solidification ofamorphous materials. In some cases, the migrated adatoms in the process of growthof amorphous coating are not enough to occupy all vacancies and traps, so the amor-phous coating is micro-porous. The immovable probability k and the largest migrationdistance of adatoms, which lie on the electroless bath components, affect the PDF,volume density and microporosity remarkably.

  12. Solid state amorphization of nanocrystalline nickel by cryogenic laser shock peening

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Chang, E-mail: cye@uakron.edu; Ren, Zhencheng; Zhao, Jingyi; Hou, Xiaoning; Dong, Yalin [Department of Mechanical Engineering, University of Akron, Akron, Ohio 44325 (United States); Liu, Yang; Sang, Xiahan [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2015-10-07

    In this study, complete solid state amorphization in nanocrystalline nickel has been achieved through cryogenic laser shock peening (CLSP). High resolution transmission electron microscopy has revealed the complete amorphous structure of the sample after CLSP processing. A molecular dynamic model has been used to investigate material behavior during the shock loading and the effects of nanoscale grain boundaries on the amorphization process. It has been found that the initial nanoscale grain boundaries increase the initial Gibbs free energy before plastic deformation and also serve as dislocation emission sources during plastic deformation to contribute to defect density increase, leading to the amorphization of pure nanocrystalline nickel.

  13. ICE AND DUST IN THE PRESTELLAR DARK CLOUD LYNDS 183: PREPLANETARY MATTER AT THE LOWEST TEMPERATURES

    Energy Technology Data Exchange (ETDEWEB)

    Whittet, D. C. B.; Poteet, C. A.; Bajaj, V. M.; Horne, D. [Department of Physics, Applied Physics and Astronomy and New York Center for Astrobiology, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, NY 12180 (United States); Chiar, J. E. [SETI Institute, Carl Sagan Center, 189 Bernardo Avenue, Mountain View, CA 94043 (United States); Pagani, L. [LERMA, UMR 8112 du CNRS, Observatoire de Paris, 61 Av. de l' Observatoire, F-75014 Paris (France); Shenoy, S. S. [SOFIA Science Center, NASA Ames Research Center, MS 232-12, Moffett Field, CA 94035 (United States); Adamson, A. J. [Gemini Observatory, Southern Operations Center, Casilla 603, La Serena (Chile)

    2013-09-10

    Dust grains are nucleation centers and catalysts for the growth of icy mantles in quiescent interstellar clouds, the products of which may accumulate into preplanetary matter when new stars and solar systems form within the clouds. In this paper, we present the first spectroscopic detections of silicate dust and the molecular ices H{sub 2}O, CO, and CO{sub 2} in the vicinity of the prestellar core L183 (L134N). An infrared photometric survey of the cloud was used to identify reddened background stars, and we present spectra covering solid-state absorption features in the wavelength range 2-20 {mu}m for nine of them. The mean composition of the ices in the best-studied line of sight (toward J15542044-0254073) is H{sub 2}O:CO:CO{sub 2} Almost-Equal-To 100:40:24. The ices are amorphous in structure, indicating that they have been maintained at low temperature ({approx}< 15 K) since formation. The ice column density N(H{sub 2}O) correlates with reddening by dust, exhibiting a threshold effect that corresponds to the transition from unmantled grains in the outer layers of the cloud to ice-mantled grains within, analogous to that observed in other dark clouds. A comparison of results for L183 and the Taurus and IC 5146 dark clouds suggests common behavior, with mantles first appearing in each case at a dust column corresponding to a peak optical depth {tau}{sub 9.7} = 0.15 {+-} 0.03 in the silicate feature. Our results support a previous conclusion that the color excess E{sub J-K} does not obey a simple linear correlation with the total dust column in lines of sight that intercept dense clouds. The most likely explanation is a systematic change in the optical properties of the dust as the density increases.

  14. Structure and Properties of Amorphous Transparent Conducting Oxides

    Science.gov (United States)

    Medvedeva, Julia

    Driven by technological appeal, the research area of amorphous oxide semiconductors has grown tremendously since the first demonstration of the unique properties of amorphous indium oxide more than a decade ago. Today, amorphous oxides, such as a-ITO, a-IZO, a-IGZO, or a-ZITO, exhibit the optical, electrical, thermal, and mechanical properties that are comparable or even superior to those possessed by their crystalline counterparts, pushing the latter out of the market. Large-area uniformity, low-cost low-temperature deposition, high carrier mobility, optical transparency, and mechanical flexibility make these materials appealing for next-generation thin-film electronics. Yet, the structural variations associated with crystalline-to-amorphous transition as well as their role in carrier generation and transport properties of these oxides are far from being understood. Although amorphous oxides lack grain boundaries, factors like (i) size and distribution of nanocrystalline inclusions; (ii) spatial distribution and clustering of incorporated cations in multicomponent oxides; (iii) formation of trap defects; and (iv) piezoelectric effects associated with internal strains, will contribute to electron scattering. In this work, ab-initio molecular dynamics (MD) and accurate density-functional approaches are employed to understand how the properties of amorphous ternary and quaternary oxides depend on quench rates, cation compositions, and oxygen stoichiometries. The MD results, combined with thorough experimental characterization, reveal that interplay between the local and long-range structural preferences of the constituent oxides gives rise to a complex composition-dependent structural behavior in the amorphous oxides. The proposed network models of metal-oxygen polyhedra help explain the observed intriguing electrical and optical properties in In-based oxides and suggest ways to broaden the phase space of amorphous oxide semiconductors with tunable properties. The

  15. Archimedean Ice

    CERN Document Server

    Eloranta, Kari

    2009-01-01

    The striking boundary dependency (the Arctic Circle phenomenon) exhibited in the ice model on the square lattice extends to other planar set-ups. We present these findings for the triangular and the Kagome lattices. Critical connectivity results guarantee that ice configurations can be generated using the simplest and most efficient local actions. Height functions are utilized throughout the analysis. At the end there is a surprise in store: on the remaining Archimedean lattice for which the ice model can be defined, the 3.4.6.4. lattice, the long range behavior is completely different from the other cases.

  16. Investigation of the atypical glass transition and recrystallization behavior of amorphous prazosin salts.

    Science.gov (United States)

    Kumar, Lokesh; Popat, Dharmesh; Bansal, Arvind K

    2011-08-25

    This manuscript studied the effect of counterion on the glass transition and recrystallization behavior of amorphous salts of prazosin. Three amorphous salts of prazosin, namely, prazosin hydrochloride, prazosin mesylate and prazosin tosylate were prepared by spray drying, and characterized by optical-polarized microscopy, differential scanning calorimetry and powder X-ray diffraction. Modulated differential scanning calorimetry was used to determine the glass transition and recrystallization temperature of amorphous salts. Glass transition of amorphous salts followed the order: prazosin mesylate > prazosin tosylate ~ prazosin hydrochloride. Amorphous prazosin mesylate and prazosin tosylate showed glass transition, followed by recrystallization. In contrast, amorphous prazosin hydrochloride showed glass transition and recrystallization simultaneously. Density Functional Theory, however, suggested the expected order of glass transition as prazosin hydrochloride > prazosin mesylate > prazosin tosylate. The counterintuitive observation of amorphous prazosin hydrochloride having lower glass transition was explained in terms of its lower activation energy (206.1 kJ/mol) for molecular mobility at Tg, compared to that for amorphous prazosin mesylate (448.5 kJ/mol) and prazosin tosylate (490.7 kJ/mol), and was further correlated to a difference in hydrogen bonding strength of the amorphous and the corresponding recrystallized salts. This study has implications in selection of an optimal amorphous salt form for pharmaceutical development.

  17. HRTEM study of Popigai impact diamond: heterogeneous diamond nanostructures in native amorphous carbon matrix

    Science.gov (United States)

    Kis, Viktoria K.; Shumilova, Tatyana; Masaitis, Victor

    2016-07-01

    High-resolution transmission electron microscopy was applied for the detailed nanostructural investigation of Popigai impact diamonds with the aim of revealing the nature of the amorphous carbon of the matrix. The successful application of two complementary specimen preparation methods, focused ion beam (FIB) milling and mechanical cleavage, allowed direct imaging of nanotwinned nanodiamond crystals embedded in a native amorphous carbon matrix for the first time. Based on its stability under the electron beam, native amorphous carbon can be easily distinguished from the amorphous carbon layer produced by FIB milling during specimen preparation. Electron energy loss spectroscopy of the native amorphous carbon revealed the dominance of sp 2-bonded carbon and the presence of a small amount of oxygen. The heterogeneous size distribution and twin density of the nanodiamond crystals and the structural properties of the native amorphous carbon are presumably related to non-graphitic (organic) carbon precursor material.

  18. Ab initio modelling of boron related defects in amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Tiago A.; Torres, Vitor J.B. [Department of Physics, University of Aveiro, Campus Santiago, 3810-193 Aveiro (Portugal)

    2012-10-15

    We have modeled boron related point defects in amorphous silicon, using an ab initio method, the Density functional theory-pseudopotential code Aimpro. The boron atoms were embedded in 64 atom amorphous silicon cubic supercells. The calculations were performed using boron defects in 15 different supercells. These supercells were developed using a modified Wooten-Winer-Weaire bond switching mechanism. In average, the properties of the 15 supercells agree with the observed radial and bond angle distributions, as well the electronic and vibrational density of states and Raman spectra. In amorphous silicon it has been very hard to find real self-interstitials, since for almost all the tested configurations, the amorphous lattice relaxes overall. We found that substitutional boron prefers to be 4-fold coordinated. We find also an intrinsic hole-trap in the non-doped amorphous lattice, which may explain the low efficiency of boron doping. The local vibrational modes are, in average, higher than the correspondent crystalline values (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Containerless processing of amorphous ceramics

    Science.gov (United States)

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

    1990-01-01

    The absence of gravity allows containerless processing of materials which could not otherwise be processed. High melting point, hard materials such as borides, nitrides, and refractory metals are usually brittle in their crystalline form. The absence of dislocations in amorphous materials frequently endows them with flexibility and toughness. Systematic studies of the properties of many amorphous materials have not been carried out. The requirements for their production is that they can be processed in a controlled way without container interaction. Containerless processing in microgravity could permit the control necessary to produce amorphous forms of hard materials.

  20. First-principles study of hydrogenated amorphous silicon

    NARCIS (Netherlands)

    Jarolimek, K.; Groot, R.A. de; Wijs, G.A. de; Zeman, M.

    2009-01-01

    We use a molecular-dynamics simulation within density-functional theory to prepare realistic structures of hydrogenated amorphous silicon. The procedure consists of heating a crystalline structure of Si64H8 to 2370 K, creating a liquid and subsequently cooling it down to room temperature. The effect

  1. Upconversion spectroscopy of erbium in amorphous aluminum oxide microstructures

    NARCIS (Netherlands)

    Agazzi, L.; Wörhoff, K.; Pollnau, M.

    2012-01-01

    The influence of energy migration and energy-transfer upconversion (ETU) among neighboring erbium ions on luminescence decay and steady-state population densities in amorphous aluminum oxide microstructures is investigated by means of photoluminescence decay measurements under quasi-CW excitation. .

  2. Nanoscale Transformations in Metastable, Amorphous, Silicon-Rich Silica.

    Science.gov (United States)

    Mehonic, Adnan; Buckwell, Mark; Montesi, Luca; Munde, Manveer Singh; Gao, David; Hudziak, Stephen; Chater, Richard J; Fearn, Sarah; McPhail, David; Bosman, Michel; Shluger, Alexander L; Kenyon, Anthony J

    2016-09-01

    Electrically biasing thin films of amorphous, substoichiometric silicon oxide drives surprisingly large structural changes, apparent as density variations, oxygen movement, and ultimately, emission of superoxide ions. Results from this fundamental study are directly relevant to materials that are increasingly used in a range of technologies, and demonstrate a surprising level of field-driven local reordering of a random oxide network.

  3. First-principles study of hydrogenated amorphous silicon

    NARCIS (Netherlands)

    Jarolimek, K.; Groot, R.A. de; Wijs, G.A. de; Zeman, M.

    2009-01-01

    We use a molecular-dynamics simulation within density-functional theory to prepare realistic structures of hydrogenated amorphous silicon. The procedure consists of heating a crystalline structure of Si64H8 to 2370 K, creating a liquid and subsequently cooling it down to room temperature. The effect

  4. Dynamics of colloidal particles in ice

    KAUST Repository

    Spannuth, Melissa

    2011-01-01

    We use x-ray photon correlation spectroscopy (XPCS) to probe the dynamics of colloidal particles in polycrystalline ice. During freezing, the dendritic ice morphology and rejection of particles from the ice created regions of high particle density, where some of the colloids were forced into contact and formed disordered aggregates. The particles in these high density regions underwent ballistic motion, with a characteristic velocity that increased with temperature. This ballistic motion is coupled with both stretched and compressed exponential decays of the intensity autocorrelation function. We suggest that this behavior could result from ice grain boundary migration. © 2011 American Institute of Physics.

  5. Apatite Formation from Amorphous Calcium Phosphate and Mixed Amorphous Calcium Phosphate/Amorphous Calcium Carbonate.

    Science.gov (United States)

    Ibsen, Casper J S; Chernyshov, Dmitry; Birkedal, Henrik

    2016-08-22

    Crystallization from amorphous phases is an emerging pathway for making advanced materials. Biology has made use of amorphous precursor phases for eons and used them to produce structures with remarkable properties. Herein, we show how the design of the amorphous phase greatly influences the nanocrystals formed therefrom. We investigate the transformation of mixed amorphous calcium phosphate/amorphous calcium carbonate phases into bone-like nanocrystalline apatite using in situ synchrotron X-ray diffraction and IR spectroscopy. The speciation of phosphate was controlled by pH to favor HPO4 (2-) . In a carbonate free system, the reaction produces anisotropic apatite crystallites with large aspect ratios. The first formed crystallites are highly calcium deficient and hydrogen phosphate rich, consistent with thin octacalcium phosphate (OCP)-like needles. During growth, the crystallites become increasingly stoichiometric, which indicates that the crystallites grow through addition of near-stoichiometric apatite to the OCP-like initial crystals through a process that involves either crystallite fusion/aggregation or Ostwald ripening. The mixed amorphous phases were found to be more stable against phase transformations, hence, the crystallization was inhibited. The resulting crystallites were smaller and less anisotropic. This is rationalized by the idea that a local phosphate-depletion zone formed around the growing crystal until it was surrounded by amorphous calcium carbonate, which stopped the crystallization.

  6. Amorphous drugs and dosage forms

    DEFF Research Database (Denmark)

    Grohganz, Holger; Löbmann, K.; Priemel, P.

    2013-01-01

    The transformation to an amorphous form is one of the most promising approaches to address the low solubility of drug compounds, the latter being an increasing challenge in the development of new drug candidates. However, amorphous forms are high energy solids and tend to recry stallize. New...... formulation principles are needed to ensure the stability of amorphous drug forms. The formation of solid dispersions is still the most investigated approach, but additional approaches are desirable to overcome the shortcomings of solid dispersions. Spatial separation by either coating or the use of micro......-containers has shown potential to prevent or delay recrystallization. Another recent approach is the formation of co-amorphous mixtures between either two drugs or one drug and one low molecular weight excipient. Molecular interactions between the two molecules provide an energy barrier that has to be overcome...

  7. FRACTURE OF AMORPHOUS BILAYER RIBBON

    NARCIS (Netherlands)

    Ocelik, Vaclav; DUHAJ, P; CSACH, K; MISKUF, J; BENGUS, VZ

    On the basis of measuring the mechanical properties and observing the fracture surface of an amorphous bilayer ribbon some partial conclusions on the mechanical quality of the bimetal boundary were drawn.

  8. Elastic properties of amorphous T 0.75Y0.75B14 (T  =  Sc, Ti, V, Y, Zr, Nb) and the effect of O incorporation on bonding, density and elasticity (T'  =  Ti, Zr).

    Science.gov (United States)

    Hunold, Oliver; Keuter, Philipp; Bliem, Pascal; Music, Denis; Wittmers, Friederike; Ravensburg, Anna L; Primetzhofer, Daniel; Schneider, Jochen M

    2017-03-01

    We have systematically studied the effect of transition metal valence electron concentration (VEC) of amorphous T 0.75Y0.75B14 (a-T 0.75Y0.75B14, T  =  Sc, Ti, V, Y, Zr, Nb) on the elastic properties, bonding, density and electronic structure using ab initio molecular dynamics. As the transition metal VEC is increased in both periods, the bulk modulus increases linearly with molar- and mass density. This trend can be understood by a concomitant decrease in cohesive energy. T'  =  Ti and Zr were selected to validate the predicted data experimentally. A-Ti0.74Y0.80B14 and a-Zr0.75Y0.75B14 thin films were synthesized by high power pulsed magnetron sputtering. Chemical composition analysis revealed the presence of up to 5 at.% impurities, with O being the largest fraction. The measured Young's modulus values for a-Ti0.74Y0.80B14 (301  ±  8 GPa) and a-Zr0.75Y0.75B14 (306  ±  9 GPa) are more than 20% smaller than the predicted ones. The influence of O incorporation on the elastic properties for these selected systems was theoretically studied, exemplarily in a-Ti0.75Y0.75B12.75O1.25. Based on ab initio data, we suggest that a-Ti0.75Y0.75B14 exhibits a very dense B network, which is partly severed in a-Ti0.75Y0.75B12.75O1.25. Upon O incorporation, the average coordination number of B and the molar density decrease by 9% and 8%, respectively. Based on these data the more than 20% reduced Young's modulus obtained experimentally for films containing impurities compared to the calculated Young's modulus for a-Ti0.75Y0.75B14 (without incorporated oxygen) can be rationalized. The presence of oxygen impurities disrupts the strong B network causing a concomitant decrease in molar density and Young's modulus. Very good agreement between the measured and calculated Young's modulus values is obtained if the presence of impurities is considered in the calculations. The implications of these findings are that prediction efforts regarding the

  9. Structural morphology of amorphous conducting carbon film

    Indian Academy of Sciences (India)

    P N Vishwakarma; V Prasad; S V Subramanyam; V Ganesan

    2005-10-01

    Amorphous conducting carbon films deposited over quartz substrates were analysed using X-ray diffraction and AFM technique. X-ray diffraction data reveal disorder and roughness in the plane of graphene sheet as compared to that of graphite. This roughness increases with decrease in preparation temperature. The AFM data shows surface roughness of carbon films depending on preparation temperatures. The surface roughness increases with decrease in preparation temperature. Also some nucleating islands were seen on the samples prepared at 900°C, which are not present on the films prepared at 700°C. Detailed analysis of these islands reveals distorted graphitic lattice arrangement. So we believe these islands to be nucleating graphitic. Power spectrum density (PSD) analysis of the carbon surface indicates a transition from the nonlinear growth mode to linear surface-diffusion dominated growth mode resulting in a relatively smoother surface as one moves from low preparation temperature to high preparation temperature. The amorphous carbon films deposited over a rough quartz substrate reveal nucleating diamond like structures. The density of these nucleating diamond like structures was found to be independent of substrate temperature (700–900°C).

  10. Giant Stress-Impedance Effect in Amorphous and High-Current-Density Electropulsing Annealed Fe73.5Cu1Nb3Si13.5B9 Ribbons

    Institute of Scientific and Technical Information of China (English)

    李德仁; 卢志超; 周少雄; 张俊峰; 刘辉; 韩伟

    2002-01-01

    The stress-impedance (SI) effect has been observed in as-cast and high-current-density electropulsing annealedFe73.5Cu1- Nb3Si13.5B9 ribbons. Large SI ratios of -35% and 25% have been obtained in high-current-densityelectropulsing annealed samples but not in as-cast samples. The SI effect changes drastically with the den-sity of the annealing current and the longitudinally applied stress during the annealing process. The effectivepermeability has been shown to be responsible for the SI effect.

  11. Interstellar ice analogs: H2O ice mixtures with CH3OH and NH3 in the far-IR region

    Science.gov (United States)

    Giuliano, B. M.; Martín-Doménech, R.; Escribano, R. M.; Manzano-Santamaría, J.; Muñoz Caro, G. M.

    2016-08-01

    Context. New spectroscopic observations in the far-infrared (IR) range are expected from future planned missions. Although water ice is the only species detected so far in interstellar ices in this range, the presence of ice mixtures requires laboratory characterization of the corresponding spectra. Aims: We present an investigation on far-IR spectra of binary ice mixtures relevant in various astrophysical environments. The foremost goal is to compare the spectroscopic features of the ice mixtures to those of pure ices, and to search for changes in peak frequencies, intensities, and band strengths of the main bands. Methods: Mixtures H2O:CH3OH and H2O:NH3 of different ratios have been deposited on a diamond substrate at astrophysically relevant conditions. We measured the spectra in the near- and mid-IR regions to derive ice column densities that were subsequently used to calculate the apparent band strengths in the far-IR region. We also designed theoretical models to study these mixtures and to predict their spectra. Results: We recorded spectra of amorphous phases for H2O:CH3OH mixtures of different compositions, that is 1:1, 3:1, and 10:1 at 8 K, and compared these mixtures to those obtained after warming. This process involves the appearance of new spectral features and changes in band shapes and band strengths. We also compared the spectra to those of the pure species and to theoretical predictions. We measured apparent band strengths for all the observed features. For H2O:NH3 mixtures, the ratios selected were 3:1, 1:1, and 1:3. In this case the spectral variations are even more marked than for the water:methanol samples. Conclusions: Band strengths in the far-IR are missing in astrophysics literature for ice mixtures. The results presented here are valuable for detecting the presence and composition of such mixtures from future space observations in this spectral region.

  12. Interstellar ice analogs: band strengths of H$_2$O, CO$_2$, CH$_3$OH, and NH$_3$ in the far-infrared region

    CERN Document Server

    Giuliano, B M; Martín-Doménech, R; Dartois, E; Caro, G M Muñoz

    2014-01-01

    We measure the band strengths in the far-infrared region of interstellar ice analogs of astrophysically relevant species, such as H$_2$O, CO$_2$, CH$_3$OH, and NH$_3$, deposited at low temperature (8-10 $\\mathrm{K}$), followed by warm-up, to induce amorphous-crystalline phase transitions when relevant. The spectra of pure H$_2$O, NH$_3$, and CH$_3$OH ices have been measured in the near-, mid- and far-infrared spectroscopic regions using the Interstellar Astrochemistry Chamber (ISAC) ultra-high-vacuum setup. In addition, far-infrared spectra of NH$_3$ and CO$_2$ were measured using a different set-up equipped with a bolometer detector. Band strengths in the far-infrared region were estimated using the corresponding near- and mid-infrared values as a reference. We also performed theoretical calculations of the amorphous and crystalline structures of these molecules using solid state computational programs at density functional theory (DFT) level. Vibrational assignment and mode intensities for these ices were p...

  13. A spongy icing model for aircraft icing

    Institute of Scientific and Technical Information of China (English)

    Li Xin; Bai Junqiang; Hua Jun; Wang Kun; Zhang Yang

    2014-01-01

    Researches have indicated that impinging droplets can be entrapped as liquid in the ice matrix and the temperature of accreting ice surface is below the freezing point. When liquid entrapment by ice matrix happens, this kind of ice is called spongy ice. A new spongy icing model for the ice accretion problem on airfoil or aircraft has been developed to account for entrapped liquid within accreted ice and to improve the determination of the surface temperature when enter-ing clouds with supercooled droplets. Different with conventional icing model, this model identifies icing conditions in four regimes:rime, spongy without water film, spongy with water film and glaze. By using the Eulerian method based on two-phase flow theory, the impinging droplet flow was investigated numerically. The accuracy of the Eulerian method for computing the water collection efficiency was assessed, and icing shapes and surface temperature distributions predicted with this spongy icing model agree with experimental results well.

  14. A spongy icing model for aircraft icing

    Directory of Open Access Journals (Sweden)

    Li Xin

    2014-02-01

    Full Text Available Researches have indicated that impinging droplets can be entrapped as liquid in the ice matrix and the temperature of accreting ice surface is below the freezing point. When liquid entrapment by ice matrix happens, this kind of ice is called spongy ice. A new spongy icing model for the ice accretion problem on airfoil or aircraft has been developed to account for entrapped liquid within accreted ice and to improve the determination of the surface temperature when entering clouds with supercooled droplets. Different with conventional icing model, this model identifies icing conditions in four regimes: rime, spongy without water film, spongy with water film and glaze. By using the Eulerian method based on two-phase flow theory, the impinging droplet flow was investigated numerically. The accuracy of the Eulerian method for computing the water collection efficiency was assessed, and icing shapes and surface temperature distributions predicted with this spongy icing model agree with experimental results well.

  15. Amorphous Dielectric Thin Films with Extremely Low Mechanical Loss

    Directory of Open Access Journals (Sweden)

    Liu X.

    2015-04-01

    Full Text Available The ubiquitous low-energy excitations are one of the universal phenomena of amorphous solids. These excitations dominate the acoustic, dielectric, and thermal properties of structurally disordered solids. One exception has been a type of hydrogenated amorphous silicon (a-Si:H with 1 at.% H. Using low temperature elastic and thermal measurements of electron-beam evap-orated amorphous silicon (a-Si, we show that TLS can be eliminated in this system as the films become denser and more structurally ordered under certain deposition conditions. Our results demonstrate that TLS are not intrinsic to the glassy state but instead reside in low density regions of the amorphous network. This work obviates the role hydrogen was previously thought to play in removing TLS in a-Si:H and favors an ideal four-fold covalently bonded amorphous structure as the cause for the disappearance of TLS. Our result supports the notion that a-Si can be made a “perfect glass” with “crystal-like” properties, thus offering an encouraging opportunity to use it as a simple crystal dielectric alternative in applications, such as in modern quantum devices where TLS are the source of dissipation, decoherence and 1/f noise.

  16. Perpendicular magnetic anisotropy of amorphous [CoSiB/Pt]N thin films

    Science.gov (United States)

    Kim, T. W.; Choi, Y. H.; Lee, K. J.; Yoon, J. B.; Cho, J. H.; You, C.-Y.; Jung, M. H.

    2015-05-01

    Materials with perpendicular magnetic anisotropy (PMA) have been intensively studied for high-density nonvolatile memory such as spin-transfer-torque magnetic random access memory with low switching current density and high thermal stability. Compared with crystalline PMA multilayers, considerable works have been done on amorphous PMA multilayers because the amorphous materials are expected to have lower pinning site density as well as smaller domain wall width. This study is an overview of the PMA properties of amorphous [CoSiB/Pt]N multilayers with varying N, where the energy contribution is changed from domain wall energy to magnetostatic energy around N = 6. By measuring the field-induced domain wall motion, we obtain the creep exponent of μ = 1/4. These results in the amorphous PMA multilayers of [CoSiB/Pt]N demonstrate possible potential as a free layer for PMA-based memory devices.

  17. Perpendicular magnetic anisotropy of amorphous [CoSiB/Pt]{sub N} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kim, T. W. [Department of Advanced Materials Engineering, Sejong University, Seoul 143-747 (Korea, Republic of); Choi, Y. H.; Lee, K. J.; Jung, M. H., E-mail: mhjung@sogang.ac.kr [Department of Physics, Sogang University, Seoul 121-742 (Korea, Republic of); Yoon, J. B.; Cho, J. H.; You, C.-Y. [Department of Physics, Inha University, Incheon 402-751 (Korea, Republic of)

    2015-05-07

    Materials with perpendicular magnetic anisotropy (PMA) have been intensively studied for high-density nonvolatile memory such as spin-transfer-torque magnetic random access memory with low switching current density and high thermal stability. Compared with crystalline PMA multilayers, considerable works have been done on amorphous PMA multilayers because the amorphous materials are expected to have lower pinning site density as well as smaller domain wall width. This study is an overview of the PMA properties of amorphous [CoSiB/Pt]{sub N} multilayers with varying N, where the energy contribution is changed from domain wall energy to magnetostatic energy around N = 6. By measuring the field-induced domain wall motion, we obtain the creep exponent of μ = 1/4. These results in the amorphous PMA multilayers of [CoSiB/Pt]{sub N} demonstrate possible potential as a free layer for PMA-based memory devices.

  18. Signatures of Quantum-Tunneling Diffusion of Hydrogen Atoms on Water Ice at 10 K

    OpenAIRE

    2015-01-01

    Reported here is the first observation of the tunneling surface diffusion of a hydrogen (H) atom on water ice. Photostimulated desorption and resonance-enhanced multiphoton ionization methods were used to determine the diffusion rates at 10 Kon amorphous solid water and polycrystalline ice. H-atom diffusion on polycrystalline ice was 2 orders of magnitude faster than that of deuterium atoms, indicating the occurrence of tunneling diffusion. Whether diffusion is by tunneling or thermal hopping...

  19. CO2 (dry ice) cleaning system

    Science.gov (United States)

    Barnett, Donald M.

    1995-03-01

    Tomco Equipment Company has participated in the dry ice (solid carbon dioxide, CO2) cleaning industry for over ten years as a pioneer in the manufacturer of high density, dry ice cleaning pellet production equipment. For over four years Tomco high density pelletizers have been available to the dry ice cleaning industry. Approximately one year ago Tomco introduced the DI-250, a new dry ice blast unit making Tomco a single source supplier for sublimable media, particle blast, cleaning systems. This new blast unit is an all pneumatic, single discharge hose device. It meters the insertion of 1/8 inch diameter (or smaller), high density, dry ice pellets into a high pressure, propellant gas stream. The dry ice and propellant streams are controlled and mixed from the blast cabinet. From there the mixture is transported to the nozzle where the pellets are accelerated to an appropriate blasting velocity. When directed to impact upon a target area, these dry ice pellets have sufficient energy to effectively remove most surface coatings through dry, abrasive contact. The meta-stable, dry ice pellets used for CO2 cleaning, while labeled 'high density,' are less dense than alternate, abrasive, particle blast media. In addition, after contacting the target surface, they return to their equilibrium condition: a superheated gas state. Most currently used grit blasting media are silicon dioxide based, which possess a sharp tetrahedral molecular structure. Silicon dioxide crystal structures will always produce smaller sharp-edged replicas of the original crystal upon fracture. Larger, softer dry ice pellets do not share the same sharp-edged crystalline structures as their non-sublimable counterparts when broken. In fact, upon contact with the target surface, dry ice pellets will plastically deform and break apart. As such, dry ice cleaning is less harmful to sensitive substrates, workers and the environment than chemical or abrasive cleaning systems. Dry ice cleaning system

  20. Ethane Ices in the Outer Solar System: Spectroscopy and Chemistry

    Science.gov (United States)

    Hudson, R. L.; Moore, M. H.; Raines, L. L.

    2009-01-01

    We report recent experiments on ethane ices made at temperatures applicable to the outer Solar System. New near- and mid-infrared data for crystalline and amorphous ethane, including new spectra for a seldom-studied solid phase that exists at 35-55 K, are presented along with radiation-chemical experiments showing the formation of more-complex hydrocarbons

  1. Transmission and Trapping of Cold Electrons in Water Ice

    DEFF Research Database (Denmark)

    Balog, Richard; Cicman, Peter; Field, David;

    2011-01-01

    Experiments are reported that show currents of low energy (“cold”) electrons pass unattenuated through crystalline ice at 135 K for energies between zero and 650 meV, up to the maximum studied film thickness of 430 bilayers, showing negligible apparent trapping. By contrast, both porous amorphous...

  2. Fundamentals of amorphous solids structure and properties

    CERN Document Server

    Stachurski, Zbigniew H

    2014-01-01

    Long awaited, this textbook fills the gap for convincing concepts to describe amorphous solids. Adopting a unique approach, the author develops a framework that lays the foundations for a theory of amorphousness. He unravels the scientific mysteries surrounding the topic, replacing rather vague notions of amorphous materials as disordered crystalline solids with the well-founded concept of ideal amorphous solids. A classification of amorphous materials into inorganic glasses, organic glasses, glassy metallic alloys, and thin films sets the scene for the development of the model of ideal amorph

  3. Nanostructures having crystalline and amorphous phases

    Science.gov (United States)

    Mao, Samuel S; Chen, Xiaobo

    2015-04-28

    The present invention includes a nanostructure, a method of making thereof, and a method of photocatalysis. In one embodiment, the nanostructure includes a crystalline phase and an amorphous phase in contact with the crystalline phase. Each of the crystalline and amorphous phases has at least one dimension on a nanometer scale. In another embodiment, the nanostructure includes a nanoparticle comprising a crystalline phase and an amorphous phase. The amorphous phase is in a selected amount. In another embodiment, the nanostructure includes crystalline titanium dioxide and amorphous titanium dioxide in contact with the crystalline titanium dioxide. Each of the crystalline and amorphous titanium dioxide has at least one dimension on a nanometer scale.

  4. Universal features of amorphous plasticity

    Science.gov (United States)

    Budrikis, Zoe; Castellanos, David Fernandez; Sandfeld, Stefan; Zaiser, Michael; Zapperi, Stefano

    2017-07-01

    Plastic yielding of amorphous solids occurs by power-law distributed deformation avalanches whose universality is still debated. Experiments and molecular dynamics simulations are hampered by limited statistical samples, and although existing stochastic models give precise exponents, they require strong assumptions about fixed deformation directions, at odds with the statistical isotropy of amorphous materials. Here, we introduce a fully tensorial, stochastic mesoscale model for amorphous plasticity that links the statistical physics of plastic yielding to engineering mechanics. It captures the complex shear patterning observed for a wide variety of deformation modes, as well as the avalanche dynamics of plastic flow. Avalanches are described by universal size exponents and scaling functions, avalanche shapes, and local stability distributions, independent of system dimensionality, boundary and loading conditions, and stress state. Our predictions consistently differ from those of mean-field depinning models, providing evidence that plastic yielding is a distinct type of critical phenomenon.

  5. Distributions of crystals and gas bubbles in reservoir ice during winter growth period

    Directory of Open Access Journals (Sweden)

    Zhi-jun LI

    2011-06-01

    Full Text Available In order to understand the dominant factors of ice physical properties for ice thermodynamics and mechanics, in-situ observations of ice growth and decay processes were carried out. Two samplings were done, in the stages of fast ice growth and steady ice growth. These ice samples were used to observe ice crystals and gas bubbles in ice, and to measure ice density. Vertical profiles of the ice crystal type, ice crystal size, gas bubble shape and size, gas bubble content, as well as ice density were ontained. The results reveal that the upper part of the samples is granular ice and the lower part is columnar ice, the average grain size increases along ice depth and keeps steady within fast and steady ice growth stages; the shape of gas bubbles in ice upper layer is spherical with higher total content, and the shape in the middle and lower layers is cylinder with lower total content; the gas bubble size and content are active along with the ice growth stage; ice density decreases with the gas content increasing.

  6. Ice and water droplets on graphite: A comparison of quantum and classical simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ramírez, Rafael, E-mail: ramirez@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid (ICMM), Consejo Superior de Investigaciones Científicas (CSIC), Campus de Cantoblanco, 28049 Madrid (Spain); Singh, Jayant K. [Eduard-Zintl-Institut für Anorganische und Physikalische Chemie and Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Str. 4, 64287 Darmstadt (Germany); Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Müller-Plathe, Florian; Böhm, Michael C. [Eduard-Zintl-Institut für Anorganische und Physikalische Chemie and Center of Smart Interfaces, Technische Universität Darmstadt, Alarich-Weiss-Str. 4, 64287 Darmstadt (Germany)

    2014-11-28

    Ice and water droplets on graphite have been studied by quantum path integral and classical molecular dynamics simulations. The point-charge q-TIP4P/F potential was used to model the interaction between flexible water molecules, while the water-graphite interaction was described by a Lennard-Jones potential previously used to reproduce the macroscopic contact angle of water droplets on graphite. Several energetic and structural properties of water droplets with sizes between 10{sup 2} and 10{sup 3} molecules were analyzed in a temperature interval of 50–350 K. The vibrational density of states of crystalline and amorphous ice drops was correlated to the one of ice Ih to assess the influence of the droplet interface and molecular disorder on the vibrational properties. The average distance of covalent OH bonds is found 0.01 Å larger in the quantum limit than in the classical one. The OO distances are elongated by 0.03 Å in the quantum simulations at 50 K. Bond distance fluctuations are large as a consequence of the zero-point vibrations. The analysis of the H-bond network shows that the liquid droplet is more structured in the classical limit than in the quantum case. The average kinetic and potential energy of the ice and water droplets on graphite has been compared with the values of ice Ih and liquid water as a function of temperature. The droplet kinetic energy shows a temperature dependence similar to the one of liquid water, without apparent discontinuity at temperatures where the droplet is solid. However, the droplet potential energy becomes significantly larger than the one of ice or water at the same temperature. In the quantum limit, the ice droplet is more expanded than in a classical description. Liquid droplets display identical density profiles and liquid-vapor interfaces in the quantum and classical limits. The value of the contact angle is not influenced by quantum effects. Contact angles of droplets decrease as the size of the water droplet

  7. Machine learning based interatomic potential for amorphous carbon

    Science.gov (United States)

    Deringer, Volker L.; Csányi, Gábor

    2017-03-01

    We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid and amorphous elemental carbon. Based on a machine learning representation of the density-functional theory (DFT) potential-energy surface, such interatomic potentials enable materials simulations with close-to DFT accuracy but at much lower computational cost. We first determine the maximum accuracy that any finite-range potential can achieve in carbon structures; then, using a hierarchical set of two-, three-, and many-body structural descriptors, we construct a GAP model that can indeed reach the target accuracy. The potential yields accurate energetic and structural properties over a wide range of densities; it also correctly captures the structure of the liquid phases, at variance with a state-of-the-art empirical potential. Exemplary applications of the GAP model to surfaces of "diamondlike" tetrahedral amorphous carbon (ta -C) are presented, including an estimate of the amorphous material's surface energy and simulations of high-temperature surface reconstructions ("graphitization"). The presented interatomic potential appears to be promising for realistic and accurate simulations of nanoscale amorphous carbon structures.

  8. Ice particle collisions

    Science.gov (United States)

    Sampara, Naresh; Turnbull, Barbara; Hill, Richard; Swift, Michael

    2017-04-01

    becomes more likely when the particles are new and rough, but also after they have been through many collisions. Experiment 2: To create an even higher collision density and to understand the collective behaviour of these ice particles, a sample of them were placed to cover the tray of an electromagnetic shaker, mounted in an environment controlled chamber at -2°C. Continuous shaking of this system permitted observation of a spontaneous transition from dry granular behaviour to that of wetted granules. Vibrating with a fixed acceleration, image sequences were recorded every 10 min to show that at early stage (plate). After circa 40 min 90% particles became spontaneously immobile in an approximately hexagonally packed 2 dimensional sheet.

  9. The relation between sea ice thickness and freeboard in the Arctic

    Directory of Open Access Journals (Sweden)

    V. Alexandrov

    2010-09-01

    Full Text Available Retrieval of Arctic sea ice thickness from CryoSat-2 radar altimeter freeboard data requires observational data to verify the relation between these two variables. In this study in-situ ice and snow data from 689 observation sites, obtained during the Sever expeditions in the 1980s, have been used to establish an empirical relation between thickness and freeboard of FY ice in late winter. Estimates of mean and variability of snow depth, snow density and ice density were produced on the basis of many field observations. These estimates have been used in the hydrostatic equilibrium equation to retrieve ice thickness as a function of ice freeboard, snow depth and snow/ice density. The accuracy of the ice thickness retrieval has been calculated from the estimated variability in ice and snow parameters and error of ice freeboard measurements. It is found that uncertainties of ice density and freeboard are the major sources of error in ice thickness calculation. For FY ice, retrieval of ≈ 1.0 m (2.0 m thickness has an uncertainty of 46% (37%, and for MY ice, retrieval of 2.4 m (3.0 m thickness has an uncertainty of 20% (18%, assuming that the freeboard error is ± 0.03 m for both ice types. For MY ice the main uncertainty is ice density error, since the freeboard error is relatively smaller than that for FY ice. If the freeboard error can be reduced to 0.01 m by averaging measurements from CryoSat-2, the error in thickness retrieval is reduced to about 32% for a 1.0 m thick FY floe and to about 18% for a 2.4 m thick MY floe. The remaining error is dominated by uncertainty in ice density. Provision of improved ice density data is therefore important for accurate retrieval of ice thickness from CryoSat-2 data.

  10. The dielectric behavior of vapor-deposited amorphous solid water and of its crystalline forms

    Science.gov (United States)

    Johari, G. P.; Hallbrucker, Andreas; Mayer, Erwin

    1991-08-01

    The dielectric permittivity and loss of vapor-deposited amorphous solid water (ASW) have been measured for fixed frequencies of 1 and 10 kHz from 80 K to its crystallization temperature. Similar measurements have also been made on the cubic ice formed after the crystallization of ASW and the hexagonal ice formed on heating the cubic ice. The loss tangent shows a broad sub-Tg relaxation peak centered at about 100 K and an approach towards a plateau value which appears as a shoulder. The peak is attributed to thermally activated rotation of H2O molecules with one or two dangling OH groups on the surface of the pores of the microporous sample, and the shoulder to localized motions within the network structure. Sintering of the samples on thermal cycling between 77 and ≊120 K in vacuo causes the broad peak to vanish. With increase in temperature, above Tg, the loss tangent shows the emergence of the expected α-relaxation peak of a liquid at T>Tg, whose completion is terminated by the onset of crystallization to cubic ice at about the same temperature for 1 kHz and for 10 kHz measurements. Thereafter, crystallization becomes slower, thus allowing further observation of the low-temperature part of the α-relaxation peak. The dielectric loss of amorphous solid water at 80 K is nearly 20 times that of the cubic ice formed on its crystallization after heating to 193 K, and nearly 3.5 times higher at Tg. The dielectric loss of the cubic ice formed on crystallization tends towards a plateau value prior to rapidly increasing with increase in temperature, an evidence for a low temperature relaxation which vanishes on conversion to hexagonal ice. This relaxation indicates a remnant topologically disordered structure of intergranular water and/or stacking faults in cubic ice. Samples sintered by thermal cycling in vacuo to ≊120 K crystallized in one step, whereas those without prior thermal cycling crystallized in two steps to cubic ice. Annealing of the ASW at 130 K

  11. River Ice Data Instrumentation

    Science.gov (United States)

    1997-06-01

    edge in the field of ice engineering expands. For example, ice concentration and freezeup stage are not considered by the survey respondents to...im- pacts both freezeup and breakup jam formation Table 2. Ice parameters currently monitored, by Divisions (as of 1995). Ice parameters currently...V V V V Date of ice in V V V V Ice concentration V V V V Freezeup stage V V V V V Note: Southwestern Division does not currently monitor ice

  12. Heterogeneous ice nucleation controlled by the coupling of surface crystallinity and surface hydrophilicity

    CERN Document Server

    Bi, Yuanfei; Li, Tianshu

    2015-01-01

    The microscopic mechanisms controlling heterogeneous ice nucleation are complex and remain poorly understood. Although good ice nucleators are generally believed to match ice lattice and to bind water, counter examples are often identified. Here we show, by advanced molecular simulations, that the heterogeneous nucleation of ice on graphitic surface is controlled by the coupling of surface crystallinity and surface hydrophilicity. Molecular level analysis reveals that the crystalline graphitic lattice with an appropriate hydrophilicity may indeed template ice basal plane by forming a strained ice layer, thus significantly enhancing its ice nucleation efficiency. Remarkably, the templating effect is found to transit from within the first contact layer of water to the second as the hydrophilicity increases, yielding an oscillating distinction between the crystalline and amorphous graphitic surfaces in their ice nucleation efficiencies. Our study sheds new light on the long-standing question of what constitutes ...

  13. Amorphous titanium-oxide supercapacitors

    Science.gov (United States)

    Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko

    2016-10-01

    The electric capacitance of an amorphous TiO2-x surface increases proportionally to the negative sixth power of the convex diameter d. This occurs because of the van der Waals attraction on the amorphous surface of up to 7 mF/cm2, accompanied by extreme enhanced electron trapping resulting from both the quantum-size effect and an offset effect from positive charges at oxygen-vacancy sites. Here we show that a supercapacitor, constructed with a distributed constant-equipment circuit of large resistance and small capacitance on the amorphous TiO2-x surface, illuminated a red LED for 37 ms after it was charged with 1 mA at 10 V. The fabricated device showed no dielectric breakdown up to 1,100 V. Based on this approach, further advances in the development of amorphous titanium-dioxide supercapacitors might be attained by integrating oxide ribbons with a micro-electro mechanical system.

  14. Atomistic Models of Amorphous Semiconductors

    NARCIS (Netherlands)

    Jarolimek, K.

    2011-01-01

    Crystalline silicon is probably the best studied material, widely used by the semiconductor industry. The subject of this thesis is an intriguing form of this element namely amorphous silicon. It can contain a varying amount of hydrogen and is denoted as a-Si:H. It completely lacks the neat long

  15. Model for amorphous aggregation processes

    Science.gov (United States)

    Stranks, Samuel D.; Ecroyd, Heath; van Sluyter, Steven; Waters, Elizabeth J.; Carver, John A.; von Smekal, Lorenz

    2009-11-01

    The amorphous aggregation of proteins is associated with many phenomena, ranging from the formation of protein wine haze to the development of cataract in the eye lens and the precipitation of recombinant proteins during their expression and purification. While much literature exists describing models for linear protein aggregation, such as amyloid fibril formation, there are few reports of models which address amorphous aggregation. Here, we propose a model to describe the amorphous aggregation of proteins which is also more widely applicable to other situations where a similar process occurs, such as in the formation of colloids and nanoclusters. As first applications of the model, we have tested it against experimental turbidimetry data of three proteins relevant to the wine industry and biochemistry, namely, thaumatin, a thaumatinlike protein, and α -lactalbumin. The model is very robust and describes amorphous experimental data to a high degree of accuracy. Details about the aggregation process, such as shape parameters of the aggregates and rate constants, can also be extracted.

  16. Nanostructural characterization of amorphous diamondlike carbon films

    Energy Technology Data Exchange (ETDEWEB)

    SIEGAL,MICHAEL P.; TALLANT,DAVID R.; MARTINEZ-MIRANDA,L.J.; BARBOUR,J. CHARLES; SIMPSON,REGINA L.; OVERMYER,DONALD L.

    2000-01-27

    Nanostructural characterization of amorphous diamondlike carbon (a-C) films grown on silicon using pulsed-laser deposition (PLD) is correlated to both growth energetic and film thickness. Raman spectroscopy and x-ray reflectivity probe both the topological nature of 3- and 4-fold coordinated carbon atom bonding and the topographical clustering of their distributions within a given film. In general, increasing the energetic of PLD growth results in films becoming more ``diamondlike'', i.e. increasing mass density and decreasing optical absorbance. However, these same properties decrease appreciably with thickness. The topology of carbon atom bonding is different for material near the substrate interface compared to material within the bulk portion of an a-C film. A simple model balancing the energy of residual stress and the free energies of resulting carbon topologies is proposed to provide an explanation of the evolution of topographical bonding clusters in a growing a-C film.

  17. Molecular simulation of freestanding amorphous nickel thin films

    Energy Technology Data Exchange (ETDEWEB)

    Dong, T.Q. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, 77454 Marne-la-Vallée, Cedex 2 (France); Hoang, V.V., E-mail: vvhoang2002@yahoo.com [Department of Physics, Institute of Technology, National University of Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City (Viet Nam); Lauriat, G. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, 77454 Marne-la-Vallée, Cedex 2 (France)

    2013-10-31

    Size effects on glass formation in freestanding Ni thin films have been studied via molecular dynamics simulation with the n-body Gupta interatomic potential. Atomic mechanism of glass formation in the films is determined via analysis of the spatio-temporal arrangements of solid-like atoms occurred upon cooling from the melt. Solid-like atoms are detected via the Lindemann ratio. We find that solid-like atoms initiate and grow mainly in the interior of the film and grow outward. Their number increases with decreasing temperature and at a glass transition temperature they dominate in the system to form a relatively rigid glassy state of a thin film shape. We find the existence of a mobile surface layer in both liquid and glassy states which can play an important role in various surface properties of amorphous Ni thin films. We find that glass formation is size independent for models containing 4000 to 108,000 atoms. Moreover, structure of amorphous Ni thin films has been studied in details via coordination number, Honeycutt–Andersen analysis, and density profile which reveal that amorphous thin films exhibit two different parts: interior and surface layer. The former exhibits almost the same structure like that found for the bulk while the latter behaves a more porous structure containing a large amount of undercoordinated sites which are the origin of various surface behaviors of the amorphous Ni or Ni-based thin films found in practice. - Highlights: • Glass formation is analyzed via spatio-temporal arrangements of solid-like atoms. • Amorphous Ni thin film exhibits two different parts: surface and interior. • Mobile surface layer enhances various surface properties of the amorphous Ni thin films. • Undercoordinated sites play an important role in various surface activities.

  18. Ice-crust and ice-film; Miaraban

    Energy Technology Data Exchange (ETDEWEB)

    Nihei, M. [Mechanical Engineering Lab., Tokyo (Japan)

    1999-11-01

    Snow on the road is converted into packed snow after being repeatedly trodden by automobile tires and pedestrians. During this compaction process, a phenomenon named sintering occurs inside the snow. Snow crystals at a temperature below the melting point are transformed into roundish ice grains with the passage of time, and bondage develops between the grains for the formation of a pack of snow which is very hard (hard-packed snow). This prepares the base for ice-film or ice-crust formation. What is called 'mirror-bahn' is an ice film which is 1mm thick or less. It is a mirror-like ice surface, generally termed the 'slippery packed snow or slippery road surface.' With studded tires repeatedly travelling on the hard-packed snow surface, friction heat is generated due to microscopic slips occurring between the tires in rotation and the ground and due to braking or driving, and the heat melts the very thin surface layer of the hard-packed snow. The surface freezes again for the formation of an ice film presenting a mirror-like surface. Such a slippery road surface is formed under complicatedly variable conditions with the parameters involving weather conditions and traffic density. The primary measure against the slippery road surface is the surface control by use of antifreezing agents. (NEDO)

  19. Diversity of cultured bacteria from the perennial ice block of Scarisoara Ice Cave, Romania

    Directory of Open Access Journals (Sweden)

    Corina Iţcuş

    2016-01-01

    Full Text Available Cave ice ecosystems represent a poorly investigated glacial environment. Diversity of cave ice bacteria and their distribution in perennial ice deposits of this underground glacial habitat could constitute a proxy for microbial response to climatic and environmental changes. Scarisoara Ice Cave (Romania hosts one of the oldest and largest cave ice blocks worldwide. Here we report on cultured microbial diversity of recent, 400, and 900 years-old perennial ice from this cave, representing the first characterization of a chronological distribution of cave-ice bacteria. Total cell density measured by SYBR Green I epifluorescence microscopy varied in the 2.4 x 104 – 2.9 x 105 cells mL-1 range. The abundance of cultured bacteria (5 x 102 – 8 x 104 CFU mL-1 representing 0.3-52% of the total cell number decreased exponentially with the ice age, and was higher in organic rich ice sediments. Cultivation at 4˚C and 15˚C using BIOLOG EcoPlates revealed a higher functional diversity of cold-active bacteria, dependent on the age, sediment content and physicochemical properties of the ice. The composition dissimilarity of ice microbiota across the ice block was confirmed by growth parameter variations when cultivated in different liquid media at low and high temperatures. PCR-DGGE and sequencing of bacterial 16S rRNA gene fragments from the cultured ice samples led to the identification of 77 bacterial amplicons belonging to Gammaproteobacteria, Firmicutes, Bacteroidetes, and Actinobacteria, showing variation in distribution across the ice layers. Several identified OTUs were homologous to those identified in other glacial and karst environments and showed partial conservation across the ice block. Moreover, our survey provided a glimpse on the cave-ice hosted bacteria as putative biomarkers for past climate and environmental changes.

  20. Influence of irradiation spectrum and implanted ions on the amorphization of ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Zinkle, S.J.; Snead, L.L.

    1995-12-31

    Polycrystalline Al2O3, magnesium aluminate spinel (MgAl2O4), MgO, Si3N4, and SiC were irradiated with various ions at 200-450 K, and microstructures were examined following irradiation using cross-section TEM. Amorphization was not observed in any of the irradiated oxide ceramics, despsite damage energy densities up to {similar_to}7 keV/atom (70 displacements per atom). On the other hand, SiC readily amorphized after damage levels of {similar_to}0.4 dpa at room temperature (RT). Si3N4 exhibited intermediate behavior; irradiation with Fe{sup 2+} ions at RT produced amorphization in the implanted ion region after damage levels of {similar_to}1 dpa. However, irradiated regions outside the implanted ion region did not amorphize even after damage levels > 5 dpa. The amorphous layer in the Fe-implanted region of Si3N4 did not appear if the specimen was simultaneoulsy irradiated with 1-MeV He{sup +} ions at RT. By comparison with published results, it is concluded that the implantation of certain chemical species has a pronounced effect on the amorphization threshold dose of all five materials. Intense ionizing radiation inhibits amorphization in Si3N4, but does not appear to significantly influence the amorphization of SiC.

  1. Freezing phenomena in ice-water systems

    Energy Technology Data Exchange (ETDEWEB)

    Akyurt, M.; Zaki, G.; Habeebullah, B. [Fakieh Center for Applied Research, Makkah Al-Mukarramah (Saudi Arabia); King Abdulaziz University, Jeddah (Saudi Arabia). Dept. of Mechanical Engineering

    2002-09-01

    The characteristics of solidification and melting are reviewed. The properties of water and ice and the phase diagram of water are discussed with special emphasis on ice density. A concise account of the freezing process and the Stefan problem is presented. To this end, the four stages of freezing are identified, supercooling, nucleation and the formation of dendritic ice, the growth of concentric rings of solid ice at 0{sup o}C and the final cooling of the solid ice are treated in some detail. The subject of bursting of pipes is given particular emphasis. Attention is drawn to a common misconception on pipe bursting and to misleading relationships for the computation of freezing time for ice blockage. Several current applications of melting and freezing systems are outlined. (author)

  2. Whillans Ice Plain Stick Slip

    Science.gov (United States)

    Lipovsky, B.; Dunham, E. M.

    2015-12-01

    Concern about future sea level rise motivates the study of fast flowing ice. The Whillans Ice Plain (WIP) region of the West Antarctic Ice Sheet is notable for decelerating from previously fast motion during the instrumental record. Since most ice flux in Antarctica occurs through ice streams, understanding the conditions that cause ice stream stagnation is of basic importance in understanding the continent's contribution to future sea level rise. Although recent progress has been made in understanding the relationship between basal conditions and ice stream motion, direct observation of the temporal variation in subglacial conditions during ice stream stagnation has remained elusive. The Whillans Ice Plain flows to the sea mostly by way of stick-slip motion. We present numerical simulations of this stick-slip motion that capture the inertial dynamics, seismic waves, and the evolution of sliding with rate- and state-dependent basal friction. Large scale stick-slip behavior is tidally modulated and encompasses the entire WIP. Sliding initiates within one of several locked regions and then propagates outward with low average rupture velocity (~ 200 m/s). Sliding accelerates over a period of 200 s attain values as large as 65 m/d. From Newton's second law, this acceleration is ~ T / (rho H) for average shear stress drop T, ice thickness H, and ice density rho. This implies a 3 Pa stress drop that must be reconciled with the final stress drop of 300 Pa inferred from the total slip and fault dimensions. A possible explanation of this apparent discrepancy is that deceleration of the ice is associated with a substantial decrease in traction within rate-strengthening regions of the bed. During these large-scale sliding events, m-scale patches at the bed produce rapid (20 Hz) stick-slip motion. Each small event occurs over ~ 1/100 s, produces ~ 40 microns of slip, and gives rise to a spectacular form of seismic tremor. Variation between successive tremor episodes allows us

  3. Elastic properties of amorphous T 0.75Y0.75B14 (T  =  Sc, Ti, V, Y, Zr, Nb) and the effect of O incorporation on bonding, density and elasticity (T‧  =  Ti, Zr)

    Science.gov (United States)

    Hunold, Oliver; Keuter, Philipp; Bliem, Pascal; Music, Denis; Wittmers, Friederike; Ravensburg, Anna L.; Primetzhofer, Daniel; Schneider, Jochen M.

    2017-03-01

    We have systematically studied the effect of transition metal valence electron concentration (VEC) of amorphous T 0.75Y0.75B14 (a-T 0.75Y0.75B14, T  =  Sc, Ti, V, Y, Zr, Nb) on the elastic properties, bonding, density and electronic structure using ab initio molecular dynamics. As the transition metal VEC is increased in both periods, the bulk modulus increases linearly with molar- and mass density. This trend can be understood by a concomitant decrease in cohesive energy. T‧  =  Ti and Zr were selected to validate the predicted data experimentally. A-Ti0.74Y0.80B14 and a-Zr0.75Y0.75B14 thin films were synthesized by high power pulsed magnetron sputtering. Chemical composition analysis revealed the presence of up to 5 at.% impurities, with O being the largest fraction. The measured Young’s modulus values for a-Ti0.74Y0.80B14 (301  ±  8 GPa) and a-Zr0.75Y0.75B14 (306  ±  9 GPa) are more than 20% smaller than the predicted ones. The influence of O incorporation on the elastic properties for these selected systems was theoretically studied, exemplarily in a-Ti0.75Y0.75B12.75O1.25. Based on ab initio data, we suggest that a-Ti0.75Y0.75B14 exhibits a very dense B network, which is partly severed in a-Ti0.75Y0.75B12.75O1.25. Upon O incorporation, the average coordination number of B and the molar density decrease by 9% and 8%, respectively. Based on these data the more than 20% reduced Young’s modulus obtained experimentally for films containing impurities compared to the calculated Young’s modulus for a-Ti0.75Y0.75B14 (without incorporated oxygen) can be rationalized. The presence of oxygen impurities disrupts the strong B network causing a concomitant decrease in molar density and Young’s modulus. Very good agreement between the measured and calculated Young’s modulus values is obtained if the presence of impurities is considered in the calculations. The implications of these findings are that prediction efforts

  4. Forecasting Turbine Icing Events

    DEFF Research Database (Denmark)

    Davis, Neil; Hahmann, Andrea N.; Clausen, Niels-Erik

    In this study, we present a method for forecasting icing events. The method is validated at two European wind farms in with known icing events. The icing model used was developed using current ice accretion methods, and newly developed ablation algorithms. The model is driven by inputs from the WRF...... mesoscale model, allowing for both climatological estimates of icing and short term icing forecasts. The current model was able to detect periods of icing reasonably well at the warmer site. However at the cold climate site, the model was not able to remove ice quickly enough leading to large ice...

  5. sp³ -linked amorphous carbon with sulfonic acid groups as a heterogeneous acid catalyst.

    Science.gov (United States)

    Suganuma, Satoshi; Nakajima, Kiyotaka; Kitano, Masaaki; Hayashi, Shigenobu; Hara, Michikazu

    2012-09-01

    SO₃H-bearing amorphous carbon prepared from polyvinyl chloride (PVC) is studied as a heterogeneous Brønsted acid catalyst. Sulfonation of partially carbonized PVC produces amorphous carbon consisting of small SO₃H-bearing carbon sheets linked by sp³ -based aliphatic hydrocarbons. This carbon material exhibits much higher catalytic performance in the hydrolysis of cellobiose than conventional heterogeneous Brønsted acid catalysts with SO₃H groups, including SO₃H-bearing amorphous carbon derived from cellulose. This can be attributed to a high density of SO₃H groups and the fast diffusion of reactants and products enabled by a flexible carbon network.

  6. An IR investigation of solid amorphous ethanol - Spectra, properties, and phase changes.

    Science.gov (United States)

    Hudson, Reggie L

    2017-12-05

    Mid- and far-infrared spectra of condensed ethanol (CH3CH2OH) at 10-160K are presented, with a special focus on amorphous ethanol, the form of greatest astrochemical interest, and with special attention given to changes at 155-160K. Infrared spectra of amorphous and crystalline forms are shown. The refractive index at 670nm of amorphous ethanol at 16K is reported, along with three IR band strengths and a density. A comparison is made to recent work on the isoelectronic compound ethanethiol (CH3CH2SH), and several astrochemical applications are suggested for future study. Published by Elsevier B.V.

  7. Compaction of Chemically Prepared Amorphous Fe-B nanoparticles

    DEFF Research Database (Denmark)

    Hendriksen, P.V.; Bødker, Franz; Mørup, Steen

    1997-01-01

    We report on attempts to compact chemically prepared amorphous iron-boron particles. The praticles have a size of about 100 nm and are pyrophoric. We have made a special die for uniaxial pressing in which the compaction can be performed at elevated temperature without exposing the powder to air. ....... Densities of up to 75% of that of bulk Fe-B have been obtained. Coercivity measurements show that the material is not magnetically soft....

  8. Compaction of Chemically Prepared Amorphous Fe-B nanoparticles

    DEFF Research Database (Denmark)

    Hendriksen, P.V.; Bødker, Franz; Mørup, Steen

    1997-01-01

    We report on attempts to compact chemically prepared amorphous iron-boron particles. The praticles have a size of about 100 nm and are pyrophoric. We have made a special die for uniaxial pressing in which the compaction can be performed at elevated temperature without exposing the powder to air....... Densities of up to 75% of that of bulk Fe-B have been obtained. Coercivity measurements show that the material is not magnetically soft....

  9. Ecology under lake ice.

    Science.gov (United States)

    Hampton, Stephanie E; Galloway, Aaron W E; Powers, Stephen M; Ozersky, Ted; Woo, Kara H; Batt, Ryan D; Labou, Stephanie G; O'Reilly, Catherine M; Sharma, Sapna; Lottig, Noah R; Stanley, Emily H; North, Rebecca L; Stockwell, Jason D; Adrian, Rita; Weyhenmeyer, Gesa A; Arvola, Lauri; Baulch, Helen M; Bertani, Isabella; Bowman, Larry L; Carey, Cayelan C; Catalan, Jordi; Colom-Montero, William; Domine, Leah M; Felip, Marisol; Granados, Ignacio; Gries, Corinna; Grossart, Hans-Peter; Haberman, Juta; Haldna, Marina; Hayden, Brian; Higgins, Scott N; Jolley, Jeff C; Kahilainen, Kimmo K; Kaup, Enn; Kehoe, Michael J; MacIntyre, Sally; Mackay, Anson W; Mariash, Heather L; McKay, Robert M; Nixdorf, Brigitte; Nõges, Peeter; Nõges, Tiina; Palmer, Michelle; Pierson, Don C; Post, David M; Pruett, Matthew J; Rautio, Milla; Read, Jordan S; Roberts, Sarah L; Rücker, Jacqueline; Sadro, Steven; Silow, Eugene A; Smith, Derek E; Sterner, Robert W; Swann, George E A; Timofeyev, Maxim A; Toro, Manuel; Twiss, Michael R; Vogt, Richard J; Watson, Susan B; Whiteford, Erika J; Xenopoulos, Marguerite A

    2017-01-01

    Winter conditions are rapidly changing in temperate ecosystems, particularly for those that experience periods of snow and ice cover. Relatively little is known of winter ecology in these systems, due to a historical research focus on summer 'growing seasons'. We executed the first global quantitative synthesis on under-ice lake ecology, including 36 abiotic and biotic variables from 42 research groups and 101 lakes, examining seasonal differences and connections as well as how seasonal differences vary with geophysical factors. Plankton were more abundant under ice than expected; mean winter values were 43.2% of summer values for chlorophyll a, 15.8% of summer phytoplankton biovolume and 25.3% of summer zooplankton density. Dissolved nitrogen concentrations were typically higher during winter, and these differences were exaggerated in smaller lakes. Lake size also influenced winter-summer patterns for dissolved organic carbon (DOC), with higher winter DOC in smaller lakes. At coarse levels of taxonomic aggregation, phytoplankton and zooplankton community composition showed few systematic differences between seasons, although literature suggests that seasonal differences are frequently lake-specific, species-specific, or occur at the level of functional group. Within the subset of lakes that had longer time series, winter influenced the subsequent summer for some nutrient variables and zooplankton biomass. © 2016 The Authors. Ecology Letters published by CNRS and John Wiley & Sons Ltd.

  10. Flexible amorphous metal films with high stability

    Science.gov (United States)

    Liu, M.; Cao, C. R.; Lu, Y. M.; Wang, W. H.; Bai, H. Y.

    2017-01-01

    We report the formation of amorphous Cu50Zr50 films with a large-area of more than 100 cm2. The films were fabricated by ion beam assisted deposition with a slow deposition rate at moderate temperature. The amorphous films have markedly enhanced thermal stability, excellent flexibility, and high reflectivity with atomic level smoothness. The multifunctional properties of the amorphous films are favorites in the promising applications of smart skin or wearable devices. The method of preparing highly stable amorphous metal films by tuning the deposition rate instead of deposition temperature could pave a way for exploring amorphous metal films with unique properties.

  11. Molecular dynamics simulation of amorphous SiO2 nanoparticles.

    Science.gov (United States)

    Hoang, Vo Van

    2007-11-08

    Molecular dynamics simulation of amorphous SiO2 spherical nanoparticles has been carried out in a model with different sizes, 2, 4, and 6 nm, under non-periodic boundary conditions. We use the pair interatomic potentials which have weak Coulomb interaction and Morse type short-range interaction. Models have been obtained by cooling from the melt via molecular dynamics (MD) simulation. Structural properties of amorphous nanoparticles obtained at 350 K have been studied via partial radial distribution functions (PRDFs), mean interatomic distances, coordination numbers, and bond-angle distributions, which are compared with those observed in the bulk. Calculations of the radial density profile in nanoparticles show the tendency of oxygen to concentrate at the surface as observed previously in other amorphous clusters or thin films. Size effects on structure of nanosized models are significant. The calculations show that if the size is larger than 4 nm, amorphous SiO2 nanoparticles have a distorted tetrahedral network structure with the mean coordination number ZSi-O approximately 4.0 and ZO-Si approximately 2.0 like those observed in the bulk. Surface structure, surface energy, and glass transition temperature of SiO2 nanoparticles have been obtained and presented.

  12. Structural origin of resistance drift in amorphous GeTe

    Science.gov (United States)

    Zipoli, Federico; Krebs, Daniel; Curioni, Alessandro

    2016-03-01

    We used atomistic simulations to study the origin of the change of resistance over time in the amorphous phase of GeTe, a prototypical phase-change material (PCM). Understanding the cause of resistance drift is one of the biggest challenges to improve multilevel storage technology. For this purpose, we generated amorphous structures via classical molecular-dynamics simulations under conditions as close as possible to the experimental operating ones of such memory devices. Moreover, we used the replica-exchange technique to generate structures comparable with those obtained in the experiment after long annealing that show an increase of resistance. This framework allowed us to overcome the main limitation of previous simulations, based on density-functional theory, that suffered from being computationally too expensive therefore limited to the nanosecond time scale. We found that resistance drift is caused by consumption of Ge atom clusters in which the coordination of at least one Ge atom differs from that of the crystalline phase and by removal of stretched bonds in the amorphous network, leading to a shift of the Fermi level towards the middle of the band gap. These results show that one route to design better memory devices based on current chalcogenide alloys is to reduce the resistance drift by increasing the rigidity of the amorphous network.

  13. Ice, Ice, Baby: A Program for Sustained, Classroom-Based K-8 Teacher Professional Development

    Science.gov (United States)

    Hamilton, C.

    2009-12-01

    Ice, Ice, Baby is a K-8 science program created by the education team at the Center for the Remote Sensing of Ice Sheets (CReSIS), an NSF-funded science and technology center headquartered at the University of Kansas. The twenty-four hands-on activities, which constitute the Ice, Ice, Baby curriculum, were developed to help students understand the role of polar ice sheets in sea level rise. These activities, presented in classrooms by CReSIS' Educational Outreach Coordinator, demonstrate many of the scientific properties of ice, including displacement and density. Student journals are utilized with each lesson as a strategy for improving students' science process skills. Journals also help the instructor identify misconceptions, assess comprehension, and provide students with a year-long science reference log. Pre- and post- assessments are given to both teachers and students before and after the program, providing data for evaluation and improvement of the Ice, Ice, Baby program. While students are actively engaged in hands-on learning about the unusual topics of ice sheets, glaciers, icebergs and sea ice, the CReSIS' Educational Coordinator is able to model best practices in science education, such as questioning and inquiry-based methods of instruction. In this way, the Ice, Ice, Baby program also serves as ongoing, in-class, professional development for teachers. Teachers are also provided supplemental activities to do with their classes between CReSIS' visits to encourage additional science lessons, reinforce concepts taught in the Ice, Ice, Baby program, and to foster teachers' progression toward more reform-based science instruction.

  14. Continuous Chemistry in Ice Cores

    DEFF Research Database (Denmark)

    Kjær, Helle Astrid

    on parameters involved in the study of photolysis as a source of in situ CO2. The concentration of organic substances in Greenland ice is poorly known due to their low levels and the fact that only a few studies evaluate the concentrations of specific organic compounds. Light does not penetrate deep...... depth was found as a function of wavelength. Further, by computational chemistry hybrid density functional methods (DFT), the four most common conformers of pyruvic acid were investigated in both gas, water and ice using the DFT model CAM-B3LYP with dielectric medium methods. A de rease of the energy...

  15. Amorphous vanadyl phosphate/graphene composites for high performance supercapacitor electrode

    Science.gov (United States)

    Chen, Ningna; Zhou, Jinhua; Kang, Qi; Ji, Hongmei; Zhu, Guoyin; Zhang, Yu; Chen, Shanyong; Chen, Jing; Feng, Xiaomiao; Hou, Wenhua

    2017-03-01

    Amorphous vanadyl phosphate/graphene nanohybrids is successfully synthesized by first exfoliating bulk layered vanadyl phosphate (VOPO4·2H2O) into nanosheets, and then hydrothermal treatment with graphene oxide (GO). The electrochemical properties of the resulted materials are systematically investigated. It is found that a phase transformation from crystalline to amorphous is occurred to VOPO4·2H2O. As supercapacitor electrode material, the amorphous VOPO4/graphene composite exhibits a high specific capacitance (508 F g-1 at 0.5 A g-1), an excellent rate capability (359 F g-1 at 10 A g-1), and a good cycling stability (retention 80% after 5000 cycles at 2 A g-1). Particularly, it simultaneously has a greatly enhanced energy density of 70.6 Wh·kg-1 with a power density of 250 W kg-1. The outstanding energy storage performance mainly originates from the generation of amorphous VOPO4 phase that facilitates ion transport by shortening ion diffusion paths and provides more reversible and fast faradic reaction sites, the hybridization with graphene that greatly improves the electric conductivity and structure stability, and the unique layer-on-sheet nanohybrid structure that effectively enhances the structure integrity. This work not only provides a facile method for the preparation of amorphous VOPO4/graphene composites, but also demonstrates the enhanced energy density and rate capability of amorphous VOPO4-based materials for potential application in supercapacitors.

  16. Great Lakes Ice Charts

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Charts show ice extent and concentration three times weekly during the ice season, for all lakes except Ontario, from the 1973/74 ice season through the 2001/2002...

  17. Amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.

    2013-04-01

    Nanoelectromechanical (NEM) switch is an interesting ultra-low power option which can operate in the harsh environment and can be a complementary element in complex digital circuitry. Although significant advancement is happening in this field, report on ultra-low voltage (pull-in) switch which offers high switching speed and area efficiency is yet to be made. One key challenge to achieve such characteristics is to fabricate nano-scale switches with amorphous metal so the shape and dimensional integrity are maintained to achieve the desired performance. Therefore, we report a tungsten alloy based amorphous metal with fabrication process development of laterally actuated dual gated NEM switches with 100 nm width and 200 nm air-gap to result in <5 volts of actuation voltage (Vpull-in). © 2013 IEEE.

  18. The effect of empirical potential functions on modeling of amorphous carbon using molecular dynamics method

    Energy Technology Data Exchange (ETDEWEB)

    Li, Longqiu, E-mail: longqiuli@gmail.com [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin, 150001 (China); Xu, Ming; Song, Wenping [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin, 150001 (China); Ovcharenko, Andrey [Western Digital Corporation, San Jose, CA (United States); Zhang, Guangyu; Jia, Ding [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin, 150001 (China)

    2013-12-01

    Empirical potentials have a strong effect on the hybridization and structure of amorphous carbon and are of great importance in molecular dynamics (MD) simulations. In this work, amorphous carbon at densities ranging from 2.0 to 3.2 g/cm{sup 3} was modeled by a liquid quenching method using Tersoff, 2nd REBO, and ReaxFF empirical potentials. The hybridization, structure and radial distribution function G(r) of carbon atoms were analyzed as a function of the three potentials mentioned above. The ReaxFF potential is capable to model the change of the structure of amorphous carbon and MD results are in a good agreement with experimental results and density function theory (DFT) at low density of 2.6 g/cm{sup 3} and below. The 2nd REBO potential can be used when amorphous carbon has a very low density of 2.4 g/cm{sup 3} and below. Considering the computational efficiency, the Tersoff potential is recommended to model amorphous carbon at a high density of 2.6 g/cm{sup 3} and above. In addition, the influence of the quenching time on the hybridization content obtained with the three potentials is discussed.

  19. First-principles study of crystalline and amorphous AlMgB{sub 14}-based materials

    Energy Technology Data Exchange (ETDEWEB)

    Ivashchenko, V. I.; Shevchenko, V. I., E-mail: shev@materials.kiev.ua [Institute of Problems of Material Science, National Academy of Science of Ukraine, Krzhyzhanosky Str. 3, 03142 Kyiv (Ukraine); Turchi, P. E. A. [Lawrence Livermore National Laboratory (L-352), P.O. Box 808, Livermore, California 94551 (United States); Veprek, S. [Department of Chemistry, Technical University Munich, Lichtenbergstrasse 4, D-85747 Garching (Germany); Leszczynski, Jerzy [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Gorb, Leonid [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Badger Technical Services, LLC, Vicksburg, Mississippi 39180 (United States); Hill, Frances [U.S. Army ERDC, Vicksburg, Mississippi 39180 (United States)

    2016-05-28

    We report first-principles investigations of crystalline and amorphous boron and M1{sub x}M2{sub y}X{sub z}B{sub 14−z} (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm{sup −1}, whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm{sup −1}. The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B{sub 12} units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

  20. Influence of Surface and Bulk Water Ice on the Reactivity of a Water-forming Reaction

    Science.gov (United States)

    Lamberts, Thanja; Kästner, Johannes

    2017-09-01

    On the surface of icy dust grains in the dense regions of the interstellar medium, a rich chemistry can take place. Due to the low temperature, reactions that proceed via a barrier can only take place through tunneling. The reaction {{H}}+{{{H}}}2{{{O}}}2\\longrightarrow {{{H}}}2{{O}}+{OH} is such a case with a gas-phase barrier of ∼26.5 kJ mol‑1. Still, the reaction is known to be involved in water formation on interstellar grains. Here, we investigate the influence of a water ice surface and of bulk ice on the reaction rate constant. Rate constants are calculated using instanton theory down to 74 K. The ice is taken into account via multiscale modeling, describing the reactants and the direct surrounding at the quantum mechanical level with density functional theory (DFT), while the rest of the ice is modeled on the molecular mechanical level with a force field. We find that H2O2 binding energies cannot be captured by a single value, but rather they depend on the number of hydrogen bonds with surface molecules. In highly amorphous surroundings, the binding site can block the routes of attack and impede the reaction. Furthermore, the activation energies do not correlate with the binding energies of the same sites. The unimolecular rate constants related to the Langmuir–Hinshelwood mechanism increase as the activation energy decreases. Thus, we provide a lower limit for the rate constant and argue that rate constants can have values up to two order of magnitude larger than this limit.

  1. Photodesorption of water ice: a molecular dynamics study

    CERN Document Server

    Andersson, S

    2008-01-01

    Absorption of ultraviolet radiation by water ice coating interstellar grains can lead to dissociation and desorption of the ice molecules. These processes are thought to be important in the gas-grain chemistry in molecular clouds and protoplanetary disks, but very few quantitative studies exist. We compute the photodesorption efficiencies of amorphous water ice and elucidate the mechanisms by which desorption occurs. Classical molecular dynamics calculations were performed for a compact amorphous ice surface at 10 K thought to be representative of interstellar ice. Dissociation and desorption of H2O molecules in the top six monolayers are considered following absorption into the first excited electronic state with photons in the 1300-1500 Angstrom range. The trajectories of the H and OH photofragments are followed until they escape or become trapped in the ice. The probability for H2O desorption per absorbed UV photon is 0.5-1% in the top three monolayers, then decreases to 0.03% in the next two monolayers, a...

  2. Molecular dynamics simulations of D2O ice photodesorption

    Science.gov (United States)

    Arasa, C.; Andersson, S.; Cuppen, H.; van Dishoeck, E. F.; Kroes, G. J.

    2011-05-01

    We present results of MD calculations performed to study the photodissociation of D2O in an amorphous ice at different ice temperatures in order to investigate isotope effects on the photodesorption processes. In dense interstellar clouds, small dust particles of micrometer silicates are covered by ice mantles, mainly consisting of H2O and also of CO, CO2. Previous MD calculations of H2O ice at Tice=10-90 K show that the photodesorption of H while OH remains trapped is the main outcome in the first three monolayers (MLs). On the other hand, the H and OH photofragments released recombine or are trapped at separate positions in the deeper MLs and can react with other species in the ice. Desorption and trapping probabilities have been calculated following photoexcitation of D2O amorphous ice at 10, 20, 60 and 90 K, and the main conclusions agree with previous calculations of H2O ice. But, the average D photodesorption probability is smaller than that of the H atom, whereas the average OD radical photodesorption probability is larger than that of OH, and the average D2O photodesorption probability is larger than that for H2O due to the D2O kick-out mechanism. The total (OD + D2O) yield has been compared with experiments and the total (OH + H2O) yield from previous simulations. We find better agreement when we compare experimental yields with calculated yields for D2O ice than when we compare with calculated yields for H2O ice.

  3. THz Time-Domain Spectroscopy of Mixed CO2-CH3OH Interstellar Ice Analogs

    CERN Document Server

    McGuire, Brett A; Allodi, Marco A; Blake, Geoffrey A

    2016-01-01

    The icy mantles of interstellar dust grains are the birthplaces of the primordial prebiotic molecular inventory that may eventually seed nascent solar systems and the planets and planetesimals that form therein. Here, we present a study of two of the most abundant species in these ices after water: carbon dioxide (CO2) and methanol (CH3OH) using TeraHertz (THz) time-domain spectroscopy and mid-infrared spectroscopy. We study pure and mixed-ices of these species, and demonstrate the power of the THz region of the spectrum to elucidate the long-range structure (i.e. crystalline versus amorphous) of the ice, the degree of segregation of these species within the ice, and the thermal history of the species within the ice. Finally, we comment on the utility of the THz transitions arising from these ices for use in astronomical observations of interstellar ices.

  4. Laboratory study of methyl isocyanate ices under astrophysical conditions

    Science.gov (United States)

    Maté, B.; Molpeceres, G.; Timón, V.; Tanarro, I.; Escribano, R.; Guillemin, J. C.; Cernicharo, J.; Herrero, V. J.

    2017-10-01

    Methyl isocyanate has been recently detected in comet 67P/Churyumov-Gerasimenko (67P/CG) and in the interstellar medium. New physicochemical studies on this species are now necessary as tools for subsequent studies in astrophysics. In this work, infrared spectra of solid CH3NCO have been obtained at temperatures of relevance for astronomical environments. The spectra are dominated by a strong, characteristic multiplet feature at 2350-2250 cm-1, which can be attributed to the asymmetric stretching of the NCO group. A phase transition from amorphous to crystalline methyl isocyanate is observed at ˜90 K. The band strengths for the absorptions of CH3NCO in ice at 20 K have been measured. Deuterated methyl isocyanate is used to help with the spectral assignment. No X-ray structure has been reported for crystalline CH3NCO. Here we advance a tentative theoretical structure, based on density functional theory (DFT) calculations, derived taking the crystal of isocyanic acid as a starting point. A harmonic theoretical spectrum is then calculated for the proposed structure and compared with the experimental data. A mixed ice of H2O and CH3NCO was formed by simultaneous deposition of water and methyl isocyanate at 20 K. The absence of new spectral features indicates that methyl isocyanate and water do not react appreciably at 20 K, but form a stable mixture. The high CH3NCO/H2O ratio reported for comet 67P/CG, and the characteristic structure of the 2350-2250 cm-1 band, makes it a very good candidate for future astronomical searches.

  5. Ice Crystal Icing Research at NASA

    Science.gov (United States)

    Flegel, Ashlie B.

    2017-01-01

    Ice crystals found at high altitude near convective clouds are known to cause jet engine power-loss events. These events occur due to ice crystals entering a propulsion systems core flowpath and accreting ice resulting in events such as uncommanded loss of thrust (rollback), engine stall, surge, and damage due to ice shedding. As part of a community with a growing need to understand the underlying physics of ice crystal icing, NASA has been performing experimental efforts aimed at providing datasets that can be used to generate models to predict the ice accretion inside current and future engine designs. Fundamental icing physics studies on particle impacts, accretion on a single airfoil, and ice accretions observed during a rollback event inside a full-scale engine in the Propulsion Systems Laboratory are summarized. Low fidelity code development using the results from the engine tests which identify key parameters for ice accretion risk and the development of high fidelity codes are described. These activities have been conducted internal to NASA and through collaboration efforts with industry, academia, and other government agencies. The details of the research activities and progress made to date in addressing ice crystal icing research challenges are discussed.

  6. Colloidal Photoluminescent Amorphous Porous Silicon, Methods Of Making Colloidal Photoluminescent Amorphous Porous Silicon, And Methods Of Using Colloidal Photoluminescent Amorphous Porous Silicon

    KAUST Repository

    Chaieb, Sahraoui

    2015-04-09

    Embodiments of the present disclosure provide for a colloidal photoluminescent amorphous porous silicon particle suspension, methods of making a colloidal photoluminescent amorphous porous silicon particle suspension, methods of using a colloidal photoluminescent amorphous porous silicon particle suspension, and the like.

  7. Thermally reduced graphenes exhibiting a close relationship to amorphous carbon

    Science.gov (United States)

    An Wong, Colin Hong; Ambrosi, Adriano; Pumera, Martin

    2012-07-01

    Graphene is an important material for sensing and energy storage applications. Since the vast majority of sensing and energy storage chemical and electrochemical systems require bulk quantities of graphene, thermally reduced graphene oxide (TRGO) is commonly employed instead of pristine graphene. The sp2 planar structure of TRGO is heavily damaged, consisting of a very short sp2 crystallite size of nanometre length and with areas of sp3 hybridized carbon. Such a structure of TRGO is reminiscent of the key characteristic of the structure of amorphous carbon, which is defined as a material without long-range crystalline order consisting of both sp2 and sp3 hybridized carbons. Herein, we describe the characterization of TRGO, its parent graphite material and carbon black (a form of amorphous carbon) via transmission electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and cyclic voltammetry experiments. We used the data obtained as well as consideration of practical factors to perform a comparative assessment of the relative electrochemical performances of TRGO against amorphous carbon. We found out that TRGO and amorphous carbon exhibit almost identical characteristics in terms of density of defects in the sp2 lattice and a similar crystallite size as determined by Raman spectroscopy. These two materials also exhibit similar amounts of oxygen containing groups as determined by XPS and nearly indistinguishable cyclic voltammetric response providing almost identical heterogeneous electron transfer constants. This leads us to conclude that for some sensing and energy storage electrochemical applications, the use of amorphous carbon might be a much more economical solution than the one requiring digestion of highly crystalline graphite with strong oxidants to graphite oxide and then thermally exfoliating it to thermally reduced graphene oxide.

  8. Amorphous silicon passivation for 23.3% laser processed back contact solar cells

    Science.gov (United States)

    Carstens, Kai; Dahlinger, Morris; Hoffmann, Erik; Zapf-Gottwick, Renate; Werner, Jürgen H.

    2017-08-01

    This paper presents amorphous silicon deposited at temperatures below 200 °C, leading to an excellent passivation layer for boron doped emitter and phosphorus doped back surface field areas in interdigitated back contact solar cells. A higher deposition temperature degrades the passivation of the boron emitter by an increased hydrogen effusion due to lower silicon hydrogen bond energy, proved by hydrogen effusion measurements. The high boron surface doping in crystalline silicon causes a band bending in the amorphous silicon. Under these conditions, at the interface, the intentionally undoped amorphous silicon becomes p-type conducting, with the consequence of an increased dangling bond defect density. For bulk amorphous silicon this effect is described by the defect pool model. We demonstrate, that the defect pool model is also applicable to the interface between amorphous and crystalline silicon. Our simulation shows the shift of the Fermi energy towards the valence band edge to be more pronounced for high temperature deposited amorphous silicon having a small bandgap. Application of optimized amorphous silicon as passivation layer for the boron doped emitter and phosphorus doped back surface field on the rear side of laser processed back contact solar cells, fabricated using four laser processing steps, yields an efficiency of 23.3%.

  9. Novel Fe-based amorphous magnetic powder cores with ultra-low core losses

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Amorphous magnetic alloy powders were prepared from bulk metallic glasses Fe74Cr2Mo2Sn2P10Si4B4C2 with supercooled liq-uid region of 32 K by water atomization.Amorphous magnetic powder core precursor was produced from a mixture of the amorphous alloy powder with addition of insulation and bonding materials by mold compacting at room temperature.After annealing the core precursor,the amorphous magnetic core exhibits superior magnetic properties as compared with molypermalloy powder core.The initial permeability up to 1 MHz was about 80,the flux density at 300 Oe was 1.06 T and the core loss at 100 kHz for Bm=0.1 T was only 329 kW/m3.The ultra-low core loss is attributed to the combination of relatively high resistivity and the amorphous structure of the Fe-based amorphous powder.Besides the outstanding magnetic properties,the Fe-based amorphous magnetic powder core had a much lower cost which renders the powder cores a potential candidate for a variety of industrial applications.

  10. Evidence for Stable Square Ice from Quantum Monte Carlo

    CERN Document Server

    Chen, Ji; Brandenburg, Jan Gerit; Alfè, Dario; Michaelides, Angelos

    2016-01-01

    Recent experiments on ice formed by water under nanoconfinement provide evidence for a two-dimensional (2D) `square ice' phase. However, the interpretation of the experiments has been questioned and the stability of square ice has become a matter of debate. Partially this is because the simulation approaches employed so far (force fields and density functional theory) struggle to accurately describe the very small energy differences between the relevant phases. Here we report a study of 2D ice using an accurate wave-function based electronic structure approach, namely Diffusion Monte Carlo (DMC). We find that at relatively high pressure square ice is indeed the lowest enthalpy phase examined, supporting the initial experimental claim. Moreover, at lower pressures a `pentagonal ice' phase (not yet observed experimentally) has the lowest enthalpy, and at ambient pressure the `pentagonal ice' phase is degenerate with a `hexagonal ice' phase. Our DMC results also allow us to evaluate the accuracy of various densi...

  11. Atmospheric icing status and type of southwest China networks

    Directory of Open Access Journals (Sweden)

    Li Yawei

    2016-01-01

    Full Text Available Transmission line disconnection, tower collapse and insulator flashover caused by icing seriously threaten power system security. Ice type and state of transmission lines, which vary a lot with terrain and climate, in typical areas such as Daqing-ridge, Yak Mountain and Erlang Mountain in Sichuan Province in South China were investigated in this paper. It is shown that mixed-phase ice with obvious layered structure, low density, strong adhesive force and windward-side growth is the main type of ice threatening the security of transmission lines and insulators. There is more ice on the ends of insulators than other areas in severe cases, where all sheds of the insulator is bridged by ice. Besides, temperature, humidity and precipitation intensity are main factors influencing the icing process. As a result, terrain and climate play a leading role in determination of icing type and severity.

  12. On Structure and Properties of Amorphous Materials

    Directory of Open Access Journals (Sweden)

    Zbigniew H. Stachurski

    2011-09-01

    Full Text Available Mechanical, optical, magnetic and electronic properties of amorphous materials hold great promise towards current and emergent technologies. We distinguish at least four categories of amorphous (glassy materials: (i metallic; (ii thin films; (iii organic and inorganic thermoplastics; and (iv amorphous permanent networks. Some fundamental questions about the atomic arrangements remain unresolved. This paper focuses on the models of atomic arrangements in amorphous materials. The earliest ideas of Bernal on the structure of liquids were followed by experiments and computer models for the packing of spheres. Modern approach is to carry out computer simulations with prediction that can be tested by experiments. A geometrical concept of an ideal amorphous solid is presented as a novel contribution to the understanding of atomic arrangements in amorphous solids.

  13. Ice sheets as a missing source of silica to the polar oceans

    Science.gov (United States)

    Hawkings, Jon R.; Wadham, Jemma L.; Benning, Liane G.; Hendry, Katharine R.; Tranter, Martyn; Tedstone, Andrew; Nienow, Peter; Raiswell, Rob

    2017-01-01

    Ice sheets play a more important role in the global silicon cycle than previously appreciated. Input of dissolved and amorphous particulate silica into natural waters stimulates the growth of diatoms. Here we measure dissolved and amorphous silica in Greenland Ice Sheet meltwaters and icebergs, demonstrating the potential for high ice sheet export. Our dissolved and amorphous silica flux is 0.20 (0.06–0.79) Tmol year−1, ∼50% of the input from Arctic rivers. Amorphous silica comprises >95% of this flux and is highly soluble in sea water, as indicated by a significant increase in dissolved silica across a fjord salinity gradient. Retreating palaeo ice sheets were therefore likely responsible for high dissolved and amorphous silica fluxes into the ocean during the last deglaciation, reaching values of ∼5.5 Tmol year−1, similar to the estimated export from palaeo rivers. These elevated silica fluxes may explain high diatom productivity observed during the last glacial–interglacial period. PMID:28120824

  14. Upper limits for chlorophylla changes with brine volume in sea ice during the austral spring in the Weddell Sea, Antarctica

    Institute of Scientific and Technical Information of China (English)

    LI Zhijun; LI Runling; WANG Zipan; HAAS Christian; DIECKMANN Gerhard

    2016-01-01

    During the winter and spring of 2006, we investigated the sea ice physics and marine biology in the northwest Weddell Sea, Antarctica aboard R/VPolarstern. We determined the texture of each ice core and 71 ice crystal thin sections from 27 ice cores. We analyzed 393 ice cores, their temperatures, 348 block density and salinity samples, and 311 chlorophylla (Chla) and phaeophytin samples along the cruise route during the investigation. Based on the vertical distributions of 302 groups of data for the ice porosity and Chla content in the ice at the same position, we obtained new evidence that ice physical parameters influence the Chla content in ice. We collected snow and ice thickness data, and established the effects of the snow and ice thickness on the Chla blooms under the ice, as well as the relationships between the activity of ice algae cells and the brine volume in ice according to the principle of environmental control of the ecological balance. We determined the upper limits for Chla in the brine volume of granular and columnar ice in the Antarctica, thereby demonstrating the effects of ice crystals on brine drainage, and the contributions of the physical properties of sea ice to Chla blooms near the ice bottom and on the ice-water interface in the austral spring. Moreover, we found that the physical properties of sea ice affect ice algae and they are key control elements that modulate marine phytoplankton blooms in the ice-covered waters around Antarctica.

  15. Chemistry in Evaporating Ices: Unexplored Territory

    CERN Document Server

    Cecchi-Pestellini, Cesare; Viti, Serena; Williams, David A

    2010-01-01

    We suggest that three-body chemistry may occur in warm high density gas evaporating in transient co\\textendash desorption events on interstellar ices. Using a highly idealised computational model we explore the chemical conversion from simple species of the ice to more complex species containing several heavy atoms, as a function of density and of adopted three body rate coefficients. We predict that there is a wide range of densities and rate coefficients in which a significant chemical conversion may occur. We discuss the implications of this idea for the astrochemistry of hot cores.

  16. Effect of pressure on thermal conductivity and pressure collapse of ice in a polymer-hydrogel and kinetic unfreezing at 1 GPa.

    Science.gov (United States)

    Andersson, Ove; Johari, G P

    2011-03-28

    We report a study of aqueous solutions of poly(vinylalcohol) and its hydrogel by thermal conductivity, κ, and specific heat measurements. In particular, we investigate (i) the changes in the solution and the hydrogel at 0.1 MPa observed in the 350-90 K range and of the frozen hydrogel at 130 K observed in the range from 0.1 MPa to 1.3 GPa, and (ii) the nature of the pressure collapse of ice in the frozen hydrogel and kinetic unfreezing on heating of its high density water at 1 GPa. The water component of the polymer solution on cooling either first phase separates and then freezes to hexagonal ice or freezes without phase separation and the dispersed polymer chains freeze-concentrate in nanoscopic and microscopic regions of the grain boundaries and grain junctions of the ice crystals in the frozen state of water in the hydrogel. The change in κ with temperature at 1 bar is reversible with some hysteresis, but not reversible with pressure after compression to 0.8 GPa at 130 K. At high pressures the crystallized state collapses showing features of κ and specific heat characteristic of formation of high density amorphous solid water. The pressure of structural collapse is 0.08 GPa higher than that of ice at 130 K. The slowly formed collapsed state shows kinetic unfreezing or glass-liquid transition temperature at 140 K for a time scale of 1 s. Comparison with the change in the properties observed for ice shows that κ decreases when the polymer is added.

  17. Magnetic Response of Itinerant Spin Ice

    Science.gov (United States)

    Udagawa, Masafumi

    2015-07-01

    We have studied the magnetic response of itinerant spin ice, by applying the cluster dynamical mean field theory (CDMFT) to the Ising Kondo lattice model on a pyrochlore lattice. As a result, we found a characteristic interplay between magnetization curve and spin ice correlation developed at low temperatures. The magnetization develops a kink-like structure at the 2/3 of its saturation value, reminiscent of kagome ice plateau. Accompanied with the magnetization process, the monopole density shows nonmonotonic magnetic field dependence with a clear minimum, reflecting a subtle energetics of spin configurations. The spin ice correlation also affects the transport properties of the system, and brings about negative magnetoresistivity with its slope strongly dependent on the magnitude of spin ice correlation. We discuss these behaviors in comparison with the magnetic response observed in Pr2Ir2O7.

  18. The physics and applications of amorphous semiconductors

    CERN Document Server

    Madan, Arun

    1988-01-01

    This comprehensive, detailed treatise on the physics and applications of the new emerging technology of amorphous semiconductors focuses on specific device research problems such as the optimization of device performance. The first part of the book presents hydrogenated amorphous silicon type alloys, whose applications include inexpensive solar cells, thin film transistors, image scanners, electrophotography, optical recording and gas sensors. The second part of the book discusses amorphous chalcogenides, whose applications include electrophotography, switching, and memory elements. This boo

  19. Enhanced thermoelectric performance of amorphous Nb based oxynitrides

    Energy Technology Data Exchange (ETDEWEB)

    Music, Denis, E-mail: music@mch.rwth-aachen.de; Geyer, Richard W.; Hans, Marcus

    2015-12-15

    Using density functional theory, amorphous Nb{sub 0.27}Ru{sub 0.06}O{sub 0.56}N{sub 0.10} was designed to facilitate a combination of an enhanced Seebeck coefficient and low electrical resistivity. Based on a positive Cauchy pressure, ductile behavior is expected. To verify these predictions, the transport and mechanical properties of amorphous thin films were evaluated. Metallic electrical resistivity and the Seebeck coefficient of −94 µV K{sup −1} are obtained, which is consistent with our predictions. As there is no crack formation, these samples can be perceived as ductile. We demonstrate that the power factor can be increased by an order of magnitude, while keeping the thermal fatigue low.

  20. Ice Lithography for Nanodevices

    DEFF Research Database (Denmark)

    Han, Anpan; Kuan, A.; Wang, J.

    Water vapor is condensed onto a cold sample, coating it with a thin-film of ice. The ice is sensitive to electron beam lithography exposure. 10 nm ice patterns are transferred into metals by “melt-off”. Non-planar samples are coated with ice, and we pattern on cantilevers, AFM tips, and suspended...

  1. Colonization of maritime glacier ice by bdelloid Rotifera.

    Science.gov (United States)

    Shain, Daniel H; Halldórsdóttir, Katrín; Pálsson, Finnur; Aðalgeirsdóttir, Guðfinna; Gunnarsson, Andri; Jónsson, Þorsteinn; Lang, Shirley A; Pálsson, Hlynur Skagfjörð; Steinþórssson, Sveinbjörn; Arnason, Einar

    2016-05-01

    Very few animal taxa are known to reside permanently in glacier ice/snow. Here we report the widespread colonization of Icelandic glaciers and ice fields by species of bdelloid Rotifera. Specimens were collected within the accumulation zones of Langjökull and Vatnajökull ice caps, among the largest European ice masses. Rotifers reached densities up to ∼100 individuals per liter-equivalent of glacier ice/snow, and were freeze-tolerant. Phylogenetic analyses indicate that glacier rotifers are polyphyletic, with independent ancestries occurring within the Pleistocene. Collectively, these data identify a previously undescribed environmental niche for bdelloid rotifers and suggest their presence in comparable habitats worldwide.

  2. Massive Ice Layer Formed by Refreezing of Ice-shelf Surface Melt Ponds: Larsen C Ice Shelf, Antarctica

    Science.gov (United States)

    Hubbard, Bryn; Luckman, Adrian; Ashmore, David; Bevan, Suzanne; Kulessa, Bernd; Kuipers Munneke, Peter; Jansen, Daniela; O'Leary, Martin

    2016-04-01

    Surface melt ponds now form frequently on ice shelves across the northern sector of the Antarctic Peninsula in response to regional warming and local föhn winds. A potentially important, but hitherto unknown, consequence of this surface melting and ponding is the formation of high-density near-surface ice from the refreezing of that water. We report the discovery and physical character of a massive subsurface ice layer located in an area of intense melting and intermittent ponding on Larsen C Ice Shelf, Antarctica. We combine borehole optical televiewer logging and ground-based radar measurements with remote sensing and firn modelling to investigate the formation and spatial extent of this layer, found to be tens of kilometres across and tens of metres deep. The presence of this ice layer has the effect of raising local ice shelf density by ~190 kg m^-3 and temperature by 5 - 10 degrees C above values found in areas unaffected by ponding and hitherto used in models of ice-shelf fracture and flow.

  3. AMORPHOUS SILICON ELECTRONIC STRUCTURE MODELING AND BASIC ELECTRO-PHYSICAL PARAMETERS CALCULATION

    Directory of Open Access Journals (Sweden)

    B. A. Golodenko

    2014-01-01

    Full Text Available Summary. The amorphous semiconductor has any unique processing characteristics and it is perspective material for electronic engineering. However, we have not authentic information about they atomic structure and it is essential knot for execution calculation they electronic states and electro physical properties. The author's methods give to us decision such problem. This method allowed to calculation the amorphous silicon modeling cluster atomics Cartesian coordinates, determined spectrum and density its electronic states and calculation the basics electro physical properties of the modeling cluster. At that determined numerical means of the energy gap, energy Fermi, electron concentration inside valence and conduction band for modeling cluster. The find results provides real ability for purposeful control to type and amorphous semiconductor charge carriers concentration and else provides relation between atomic construction and other amorphous substance physical properties, for example, heat capacity, magnetic susceptibility and other thermodynamic sizes.

  4. Research on high-efficiency, single-junction, monolithic, thin-film amorphous silicon solar cells

    Science.gov (United States)

    Wiesmann, H.; Dolan, J.; Fricano, G.; Danginis, V.

    1987-02-01

    A study was undertaken of the optoelectronic properties of amorphous silicon-hydrogen thin films deposited from disilane at high deposition rates. The information derived from this study was used to fabricate amorphous silicon solar cells with efficiencies exceeding 7%. The intrinsic layer of these solar cells was deposited at 15 angstroms/second. Material properties investigated included dark conductivity, photoconductivity, minority carrier diffusion length, and density of states. The solar cells properties characterized were absolute quantum yield and simulated global AM 1.5 efficiencies. Investigations were undertaken utilizing optical and infrared spectroscopy to optimize the microstructures of the intrinsic amorphous silicon. That work was sponsored by the New York State Energy Research and Development Authority. The information was used to optimize the intrinsic layer of amorphous silicon solar cells, resulting in AM 1.5 efficiencies exceeding 7%.

  5. Observation of the amorphous zinc oxide recrystalline process by molecular dynamics simulation.

    Science.gov (United States)

    Lin, Ken-Huang; Sun, Shih-Jye; Ju, Shin-Pon; Tsai, Jen-Yu; Chen, Hsin-Tsung; Hsieh, Jin-Yuan

    2013-02-21

    The detailed structural variations of amorphous zinc oxide (ZnO) as well as wurtzite (B4) and zinc blende (B3) crystal structures during the temperature elevation process were observed by molecular dynamics simulation. The amorphous ZnO structure was first predicted through the simulated-annealing basin-hopping algorithm with the criterion to search for the least stable structure. The density and X-ray diffraction profiles of amorphous ZnO of the structure were in agreement with previous reports. The local structural transformation among different local structures and the recrystalline process of amorphous ZnO at higher temperatures are observed and can explain the structural transformation and recrystalline mechanism in a corresponding experiment [Bruncko et al., Thin Solid Films 520, 866-870 (2011)].

  6. Optical property of amorphous semiconductor mercury cadmium telluride from first-principles study

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The structural and optical properties of amorphous semiconductor mercury cadmium telluride (a-MCT) are obtained by the first principles calculations. The total pair distribution functions and the density of states show that the a-MCT has the semiconductor characteristic. The calculated results of dielectric function show that E2 peak of the imaginary of dielectric function for the crystal mercury cadmium telluride abruptly disappears in the amorphous case due to the long-range disorders. And the imaginary of dielectric function of a-MCT shows a large broad peak, which is in agreement with the available results of other amorphous semiconductors. From the linear extrapolation of the curve ωε 2(ω)1/2 versus ω, it can be obtained that the optical energy gap of amorphous semiconductor Hg0.5Cd0.5Te is 0.51±0.05 eV.

  7. Fracture Phenomena in Amorphous Selenium

    DEFF Research Database (Denmark)

    Lindegaard-Andersen, Asger; Dahle, Birgit

    1966-01-01

    the velocities of ultrasonic longitudinal and shear waves were measured to 1820 m/sec and 930 m/sec, respectively. Based on these results the two line systems in the transition zone can be interpreted as ``Wallner lines'' with sources within the zone. ©1966 The American Institute of Physics......Fracture surfaces of amorphous selenium broken in flexure at room temperature have been studied. The fracture velocity was found to vary in different regions of the fracture surface. Peculiar features were observed in a transition zone between fast and slower fracture. In this zone cleavage steps...

  8. Structural study of amorphous polyaniline

    Science.gov (United States)

    Laridjani, M.; Pouget, J. P.; MacDiarmid, A. G.; Epstein, A. J.

    1992-06-01

    Many materials, especially polymers, have a substantial volume fraction with no long range crystalline order. Through these regions are often termed amorphous, they frequently have a specific local order. We describe and use here a method, base on a non-energy dispersive X-ray diffraction technique, to obtain good quality interference functions and, by Fourier transform, radial distribution functions of the amorphous structure of polymers. We apply this approach to members of a family of electronic polymers of current interest : polyaniline emeraldine bases. We show that the local order exhibits significant differences in type I and type II materials, precipitated as salt and base respectively. These studies demonstrate the importance of sample preparation in evaluating the physical properties of polyaniline, and provide a structural origin for memory effects observed in the doping-dedoping processes. Beaucoup de matériaux, spécialement les polymères, ont une importante fraction de leur volume sans ordre cristallin à longue portée. Bien que ces régions soient souvent appelées amorphes, elles présentent fréquemment un ordre local caractéristique. Nous décrivons et utilisons dans ce papier une méthode, basée sur une technique de diffraction de rayons X non dispersive en énergie, pour obtenir des fonctions d'interférence de bonne qualité et, par transformée de Fourier, la fonction de distribution radiale des polymères amorphes. Nous appliquons cette technique à plusieurs éléments d'une même famille de polymères électroniques d'intérêt actuel : les polyanilines éméraldine bases. Nous montrons que l'ordre local présente d'appréciables différences dans les matériaux de type I et II, préparés respectivement sous forme de sel et de base. Cette étude démontre l'importance des conditions de préparation sur les propriétés physiques du polyaniline et donne une base structurale aux effets observés dans les processus de dopage-dédopage de

  9. Pyrolytic transformation from polydihydrosilane to hydrogenated amorphous silicon film

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, Takashi, E-mail: mtakashi@jaist.ac.jp [Japan Science and Technology Agency, ERATO, Shimoda Nano-Liquid Process Project, 2-13 Asahidai, Nomi, Ishikawa, 923-1211 (Japan); Matsuki, Yasuo [Japan Science and Technology Agency, ERATO, Shimoda Nano-Liquid Process Project, 2-13 Asahidai, Nomi, Ishikawa, 923-1211 (Japan); Yokkaichi Research Center, JSR Corporation, 100 Kawajiri-cho, Yokkaichi, Mie, 510-8552 (Japan); Shimoda, Tatsuya [Japan Science and Technology Agency, ERATO, Shimoda Nano-Liquid Process Project, 2-13 Asahidai, Nomi, Ishikawa, 923-1211 (Japan); School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa, 923-1292 (Japan)

    2012-08-31

    The fabrication of thin film silicon devices based on solution processes rather than on conventional vacuum processes is of substantial interest since cost reductions may result. Using a solution process, we coated substrates with polydihydrosilane solution and studied the pyrolytic transformation of the material into hydrogenated amorphous silicon (a-Si:H). From thermal gravimetry and differential thermal analysis data a significant reduction in weight of the material and a construction of Si-Si bonds are concluded for the pyrolysis temperature T{sub p} = 270 to 360 Degree-Sign C. The appearance of amorphous silicon phonon bands in Raman spectra for films prepared at T{sub p} {>=} 330 Degree-Sign C suggests the construction of a three-dimensional amorphous silicon network. Films prepared at T{sub p} {>=} 360 Degree-Sign C exhibit a hydrogen content near 10 at.% and an optical gap near 1.6 eV similar to device-grade vacuum processed a-Si:H. However, the infrared microstructure factor, the spin density, and the photosensitivity require significant improvements. - Highlights: Black-Right-Pointing-Pointer We fabricate hydrogenated amorphous silicon (a-Si:H) films by a solution process. Black-Right-Pointing-Pointer The a-Si:H films are prepared by pyrolytic transformation in polysilane solution. Black-Right-Pointing-Pointer We investigate basic properties in relation to the pyrolysis temperature. Black-Right-Pointing-Pointer Raman spectra, hydrogen content, and optical gap are similar to device-grade a-Si:H. Black-Right-Pointing-Pointer Microstructure factor, spin density, and photoconductivity show poor quality.

  10. Universal amorphous-amorphous transition in GexSe100-x glasses under pressure

    DEFF Research Database (Denmark)

    Yildirim, Can; Micoulaut, Matthieu; Boolchand, Punit

    2016-01-01

    distributions are observed when scaled to reduced densities. All compositions are observed to remain amorphous under pressure values up to 42 GPa. The Ge-Se interatomic distances extracted from XAS data show a two-step response to the applied pressure; a gradual decrease followed by an increase at around 15...... simulations and compared to the experimental results. The evolution of bond angle distributions, interatomic distances and coordination numbers are examined and lead to similar pressure-induced structural changes for any composition.......Pressure induced structural modifications in vitreous GexSe100−x (where 10 ≤ x ≤ 25) are investigated using X-ray absorption spectroscopy (XAS) along with supplementary X-ray diffraction (XRD) experiments and ab initio molecular dynamics (AIMD) simulations. Universal changes in distances and angle...

  11. Amorphous to amorphous insulator-metal transition in GeSe3:Ag glasses

    Science.gov (United States)

    Prasai, Kiran; Chen, Gang; Drabold, D. A.

    2017-06-01

    We study an insulator-metal transition in a ternary chalcogenide glass (GeSe3)1 -xAgx for x =0.15 and 0.25. The conducting phase of the glass is obtained by using gap sculpting [Prasai et al., Sci. Rep. 5, 15522 (2015), 10.1038/srep15522] and it is observed that the metallic and insulating phases have nearly identical density functional energies but have a conductivity contrast of ˜108 . As such, we demonstrate an example of polyamorphism for which energetically close phases exhibit dramatically different optical properties. The transition from insulator to metal involves growth of an Ag-rich phase accompanied by a depletion of tetrahedrally bonded Ge (Se1/2)4 in the host network. The relative fraction of the amorphous Ag2Se phase and GeSe2 phase is shown to be a critical determinant of dc conductivity.

  12. Wave-Ice interaction

    Institute of Scientific and Technical Information of China (English)

    沈奚海莉

    2001-01-01

    The growth and movement of sea ice cover are influenced by the presence of wave field. Inturn, the wave field is influenced by the presence of ice cover. Their interaction is not fully understood.In this paper, we discuss some current understanding on wave attenuation when it propagates through frag-mented ice cover, ice drift due to the wave motion, and the growth characteristics of ice cover in wave field.

  13. Effect of crystalline/amorphous interfaces on thermal transport across confined thin films and superlattices

    Science.gov (United States)

    Giri, Ashutosh; Braun, Jeffrey L.; Hopkins, Patrick E.

    2016-06-01

    We report on the thermal boundary resistances across crystalline and amorphous confined thin films and the thermal conductivities of amorphous/crystalline superlattices for Si/Ge systems as determined via non-equilibrium molecular dynamics simulations. Thermal resistances across disordered Si or Ge thin films increase with increasing length of the interfacial thin films and in general demonstrate higher thermal boundary resistances in comparison to ordered films. However, for films ≲3 nm, the resistances are highly dependent on the spectral overlap of the density of states between the film and leads. Furthermore, the resistances at a single amorphous/crystalline interface in these structures are much lower than those at interfaces between the corresponding crystalline materials, suggesting that diffusive scattering at an interface could result in higher energy transmissions in these systems. We use these findings, together with the fact that high mass ratios between amorphous and crystalline materials can lead to higher thermal resistances across thin films, to design amorphous/crystalline superlattices with very low thermal conductivities. In this regard, we study the thermal conductivities of amorphous/crystalline superlattices and show that the thermal conductivities decrease monotonically with increasing interface densities above 0.1 nm-1. These thermal conductivities are lower than that of the homogeneous amorphous counterparts, which alludes to the fact that interfaces non-negligibly contribute to thermal resistance in these superlattices. Our results suggest that the thermal conductivity of superlattices can be reduced below the amorphous limit of its material constituent even when one of the materials remains crystalline.

  14. Structure-property relations in amorphous carbon for photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Risplendi, Francesca; Cicero, Giancarlo [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, 10129 Torino (Italy); Bernardi, Marco [Department of Physics, University of California, Berkeley, California 94720 (United States); Grossman, Jeffrey C., E-mail: jcg@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-07-28

    Carbon is emerging as a material with great potential for photovoltaics (PV). However, the amorphous form (a-C) has not been studied in detail as a PV material, even though it holds similarities with amorphous Silicon (a-Si) that is widely employed in efficient solar cells. In this work, we correlate the structure, bonding, stoichiometry, and hydrogen content of a-C with properties linked to PV performance such as the electronic structure and optical absorption. We employ first-principles molecular dynamics and density functional theory calculations to generate and analyze a set of a-C structures with a range of densities and hydrogen concentrations. We demonstrate that optical and electronic properties of interest in PV can be widely tuned by varying the density and hydrogen content. For example, sunlight absorption in a-C films can significantly exceed that of a same thickness of a-Si for a range of densities and H contents in a-C. Our results highlight promising features of a-C as the active layer material of thin-film solar cells.

  15. Laser surface treatment of amorphous metals

    Science.gov (United States)

    Katakam, Shravana K.

    Amorphous materials are used as soft magnetic materials and also as surface coatings to improve the surface properties. Furthermore, the nanocrystalline materials derived from their amorphous precursors show superior soft magnetic properties than amorphous counter parts for transformer core applications. In the present work, laser based processing of amorphous materials will be presented. Conventionally, the nanocrystalline materials are synthesized by furnace heat treatment of amorphous precursors. Fe-based amorphous/nanocrystalline materials due to their low cost and superior magnetic properties are the most widely used soft magnetic materials. However, achieving nanocrystalline microstructure in Fe-Si-B ternary system becomes very difficult owing its rapid growth rate at higher temperatures and sluggish diffusion at low temperature annealing. Hence, nanocrystallization in this system is achieved by using alloying additions (Cu and Nb) in the ternary Fe-Si-B system. Thus, increasing the cost and also resulting in reduction of saturation magnetization. laser processing technique is used to achieve extremely fine nanocrystalline microstructure in Fe-Si-B amorphous precursor. Microstructure-magnetic Property-laser processing co-relationship has been established for Fe-Si-B ternary system using analytical techniques. Laser processing improved the magnetic properties with significant increase in saturation magnetization and near zero coercivity values. Amorphous materials exhibit excellent corrosion resistance by virtue of their atomic structure. Fe-based amorphous materials are economical and due to their ease of processing are of potential interest to synthesize as coatings materials for wear and corrosion resistance applications. Fe-Cr-Mo-Y-C-B amorphous system was used to develop thick coatings on 4130 Steel substrate and the corrosion resistance of the amorphous coatings was improved. It is also shown that the mode of corrosion depends on the laser processing

  16. Arctic ice islands

    Energy Technology Data Exchange (ETDEWEB)

    Sackinger, W.M.; Jeffries, M.O.; Lu, M.C.; Li, F.C.

    1988-01-01

    The development of offshore oil and gas resources in the Arctic waters of Alaska requires offshore structures which successfully resist the lateral forces due to moving, drifting ice. Ice islands are floating, a tabular icebergs, up to 60 meters thick, of solid ice throughout their thickness. The ice islands are thus regarded as the strongest ice features in the Arctic; fixed offshore structures which can directly withstand the impact of ice islands are possible but in some locations may be so expensive as to make oilfield development uneconomic. The resolution of the ice island problem requires two research steps: (1) calculation of the probability of interaction between an ice island and an offshore structure in a given region; and (2) if the probability if sufficiently large, then the study of possible interactions between ice island and structure, to discover mitigative measures to deal with the moving ice island. The ice island research conducted during the 1983-1988 interval, which is summarized in this report, was concerned with the first step. Monte Carlo simulations of ice island generation and movement suggest that ice island lifetimes range from 0 to 70 years, and that 85% of the lifetimes are less then 35 years. The simulation shows a mean value of 18 ice islands present at any time in the Arctic Ocean, with a 90% probability of less than 30 ice islands. At this time, approximately 34 ice islands are known, from observations, to exist in the Arctic Ocean, not including the 10-meter thick class of ice islands. Return interval plots from the simulation show that coastal zones of the Beaufort and Chukchi Seas, already leased for oil development, have ice island recurrences of 10 to 100 years. This implies that the ice island hazard must be considered thoroughly, and appropriate safety measures adopted, when offshore oil production plans are formulated for the Alaskan Arctic offshore. 132 refs., 161 figs., 17 tabs.

  17. The sub-ice platelet layer and its influence on freeboard to thickness conversion of Antarctic sea ice

    Science.gov (United States)

    Price, D.; Rack, W.; Langhorne, P. J.; Haas, C.; Leonard, G.; Barnsdale, K.

    2014-06-01

    This is an investigation to quantify the influence of the sub-ice platelet layer on satellite measurements of total freeboard and their conversion to thickness of Antarctic sea ice. The sub-ice platelet layer forms as a result of the seaward advection of supercooled ice shelf water from beneath ice shelves. This ice shelf water provides an oceanic heat sink promoting the formation of platelet crystals which accumulate at the sea ice-ocean interface. The build-up of this porous layer increases sea ice freeboard, and if not accounted for, leads to overestimates of sea ice thickness from surface elevation measurements. In order to quantify this buoyant effect, the solid fraction of the sub-ice platelet layer must be estimated. An extensive in situ data set measured in 2011 in McMurdo Sound in the southwestern Ross Sea is used to achieve this. We use drill-hole measurements and the hydrostatic equilibrium assumption to estimate a mean value for the solid fraction of this sub-ice platelet layer of 0.16. This is highly dependent upon the uncertainty in sea ice density. We test this value with independent Global Navigation Satellite System (GNSS) surface elevation data to estimate sea ice thickness. We find that sea ice thickness can be overestimated by up to 19%, with a mean deviation of 12% as a result of the influence of the sub-ice platelet layer. It is concluded that within 100 km of an ice shelf this influence might need to be considered when undertaking sea ice thickness investigations using remote sensing surface elevation measurements.

  18. One-dimensional simulation of lake and ice dynamics during winter

    Directory of Open Access Journals (Sweden)

    Ali Oveisy

    2014-04-01

    Full Text Available An ice formation model, based on the solution of the heat conduction equation across blue ice, white ice and snow cover, is integrated into the Dynamic Reservoir Simulation Model (DYRESM to allow for one-dimensional (vertical winter simulation of lake dynamics during periods of ice cover. This is an extension of a previous three-layer snow and ice model to include two-way coupling between the ice and the water column. The process-based ice formation is suitable for application to mid-latitude regions and includes: snowmelt due to rain; formation of white ice; and variability in snow density, snow conductivity, and ice and snow albedo. The model was validated against published observations from Harmon lake, British Columbia, and new observations from Eagle lake, Ontario. The ice thickness and water column temperature profile beneath the ice were predicted with Root Mean Square Deviations (RMSD of 1 cm and 0.38°C, respectively, during the winter of 1990-91in Harmon lake. In Eagle lake the 2011-12 year-round water column temperature profile was predicted with an RMSD of 1.8°C. Improved prediction of under-ice lake temperature, relative to published results from simpler models, demonstrates the need for models that accurately capture ice-formation processes, including ice to water column coupling, formation of both blue and white ice layers, and process-based ice and snow parameters (density, conductivity and albedo.

  19. Electron beam recrystallization of amorphous semiconductor materials

    Science.gov (United States)

    Evans, J. C., Jr.

    1968-01-01

    Nucleation and growth of crystalline films of silicon, germanium, and cadmium sulfide on substrates of plastic and glass were investigated. Amorphous films of germanium, silicon, and cadmium sulfide on amorphous substrates of glass and plastic were converted to the crystalline condition by electron bombardment.

  20. Band Gaps of an Amorphous Photonic Materials

    Institute of Scientific and Technical Information of China (English)

    WANG Yi-Quan; FENG Zhi-Fang; HU Xiao-Yong; CHENG Bing-Ying; ZHANG Dao-Zhong

    2004-01-01

    @@ A new kind of amorphous photonic materials is presented. Both the simulated and experimental results show that although the disorder of the whole dielectric structure is strong, the amorphous photonic materials have two photonic gaps. This confirms that the short-range order is an essential factor for the formation of the photonic gaps.

  1. Co amorphous systems: A product development perspective.

    Science.gov (United States)

    Chavan, Rahul B; Thipparaboina, Rajesh; Kumar, Dinesh; Shastri, Nalini R

    2016-12-30

    Solubility is one of the major problems associated with most of the new chemical entities that can be reasonably addressed by drug amorphization. However, being a high-energy form, it usually tends to re-crystallize, necessitating new formulation strategies to stabilize amorphous drugs. Polymeric amorphous solid dispersion (PASD) is one of the widely investigated strategies to stabilize amorphous drug, with major limitations like limited polymer solubility and hygroscopicity. Co amorphous system (CAM), a new entrant in amorphous arena is a promising alternative to PASD. CAMs are multi component single phase amorphous solid systems made up of two or more small molecules that may be a combination of drugs or drug and excipients. Excipients explored for CAM preparation include amino acids, carboxylic acids, nicotinamide and saccharine. Advantages offered by CAM include improved aqueous solubility and physical stability of amorphous drug, with a potential to improve therapeutic efficacy. This review attempts to address different aspects in the development of CAM as drug products. Criterion for co-former selection, various methods involved in CAM preparation, characterization tools, stability, scale up and regulatory requirements for the CAM product development are discussed.

  2. Photoexcitation-induced processes in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Jai [School of Engineering and Logistics, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jai.singh@cdu.edu.au

    2005-07-30

    Theories for the mechanism of photo-induced processes of photodarkening (PD), volume expansion (VE) in amorphous chalcogenides are presented. Rates of spontaneous emission of photons by radiative recombination of excitons in amorphous semiconductors are also calculated and applied to study the excitonic photoluminescence in a-Si:H. Results are compared with previous theories.

  3. Top Sounder Ice Penetration

    Science.gov (United States)

    Porter, D. L.; Goemmer, S. A.; Sweeney, J. H.

    2014-12-01

    Ice draft measurements are made as part of normal operations for all US Navy submarines operating in the Arctic Ocean. The submarine ice draft data are unique in providing high resolution measurements over long transects of the ice covered ocean. The data has been used to document a multidecadal drop in ice thickness, and for validating and improving numerical sea-ice models. A submarine upward-looking sonar draft measurement is made by a sonar transducer mounted in the sail or deck of the submarine. An acoustic beam is transmitted upward through the water column, reflecting off the bottom of the sea ice and returning to the transducer. Ice thickness is estimated as the difference between the ship's depth (measured by pressure) and the acoustic range to the bottom of the ice estimated from the travel time of the sonar pulse. Digital recording systems can provide the return off the water-ice interface as well as returns that have penetrated the ice. Typically, only the first return from the ice hull is analyzed. Information regarding ice flow interstitial layers provides ice age information and may possibly be derived with the entire return signal. The approach being investigated is similar to that used in measuring bottom sediment layers and will involve measuring the echo level from the first interface, solving the reflection loss from that transmission, and employing reflection loss versus impedance mismatch to ascertain ice structure information.

  4. EXAFS characterization of amorphous GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Ridgway, M.C.; Glover, C.J. [Australia National Univ., Canberra (Australia); Foran, G.J. [Australian Nuclear Science and Technology Organization, Menai (Australia); Yu, K.M. [Lawrence Berkeley National Lab., CA (United States). Materials Sciences Div.

    1998-12-31

    The structural parameters of stoichiometric, amorphous GaAs have been determined with extended x-ray absorption fine structure (EXAFS) measurements performed in transmission mode at 10 K. Amorphous GaAs samples were fabricated with a combination of epitaxial growth, ion implantation and selective chemical etching. Relative to a crystalline sample, the nearest-neighbor bond length and Debye-Waller factor both increased for amorphous material. In contrast, the coordination numbers about both Ga and As atoms in the amorphous phase decreased to {approximately} 3.85 atoms from the crystalline value of four. All structural parameters were independent of implantation conditions and as a consequence, were considered representative of intrinsic, amorphous GaAs as opposed to an implantation-induced extrinsic structure.

  5. Amorphous metals for radial airgap electric machines

    Energy Technology Data Exchange (ETDEWEB)

    Lu Ning; Kokernak, J.M. [Rensselaer Polytechnic Institute, Dept. of Electric Poer Engineering, Troy, NY (United States)

    2000-08-01

    Amorphous steel teas been in use for some time in the transformer industry. The difficulty associated with handling such a hard material paired with the extremely thin nature of the casting has prevented amorphous steel from being seriously considered for radial airgap electric motors. In light of recent advances in manufacturing and handling of the amorphous materials, this paper presents an investigation into the performance advantages of an amorphous brushless dc motor. A two-dimensional, time-stepped, finite element model is used to analyze the electromagnetic field and motor performance for an amorphous brushless dc (BLDC) motor and a M-l9 BLDC motor. Each is modeled with identical structure geometries. Magnetic core losses are also estimated for the two motors operating over a frequency range of 50 to 200 Hz. (orig.)

  6. Tritiated amorphous silicon for micropower applications

    Energy Technology Data Exchange (ETDEWEB)

    Kherani, N.P. [Ontario Hydro Technologies, Toronto, Ontario (Canada)]|[Univ. of Toronto, Ontario (Canada); Kosteski, T.; Zukotynski, S. [Univ. of Toronto, Ontario (Canada); Shmayda, W.T. [Ontario Hydro Technologies, Toronto, Ontario (Canada)

    1995-10-01

    The application of tritiated amorphous silicon as an intrinsic energy conversion semiconductor for radioluminescent structures and betavoltaic devices is presented. Theoretical analysis of the betavoltaic application shows an overall efficiency of 18% for tritiated amorphous silicon. This is equivalent to a 330 Ci intrinsic betavoltaic device producing 1 mW of power for 12 years. Photoluminescence studies of hydrogenated amorphous silicon, a-Si:H, show emission in the infra-red with a maximum quantum efficiency of 7.2% at 50 K; this value drops by 3 orders of magnitude at a temperature of 300 K. Similar studies of hydrogenated amorphous carbon show emission in the visible with an estimated quantum efficiency of 1% at 300 K. These results suggest that tritiated amorphous carbon may be the more promising candidate for room temperature radioluminescence in the visible. 18 refs., 5 figs.

  7. Drug-excipient behavior in polymeric amorphous solid dispersions.

    OpenAIRE

    Surikutchi Bhanu Teja; Shashank Pralhad Patil; Ganesh Shete; Sarsvatkumar Patel; Arvind Kumar Bansal

    2016-01-01

    Amorphous drug delivery systems are increasingly utilized to enhance aqueous solubility and oral bioavailability. However, they lack physical and/or chemical stability. One of the most common ways of stabilizing an amorphous form is by formulating it as an amorphous solid dispersion. This review focuses on polymeric amorphous solid dispersions wherein polymers are used as excipients to stabilize the amorphous form. A brief introduction to the basic concepts of amorphous systems such as glass ...

  8. Drug excipient behavior in polymeric amorphous solid dispersions

    OpenAIRE

    Bhanu Teja Surikutchi; Shashank Pralhad Patil; Ganesh Shete; Sarsvatkumar Patel; Arvind Kumar Bansal

    2013-01-01

    Amorphous drug delivery system is being increasingly utilized for enhancing aqueous solubility and oral bioavailability. However it suffers from lack of physical/chemical stability. One of the most common ways of stabilizing an amorphous form is by formulating it as amorphous solid dispersion. This review focuses on the polymeric amorphous solid dispersion wherein polymers are used as excipients to stabilize the amorphous form. We present a brief introduction of basic concepts of amorphous sy...

  9. Ross Ice Shelf, Antarctic Ice and Clouds

    Science.gov (United States)

    1991-01-01

    In this view of Antarctic ice and clouds, (56.5S, 152.0W), the Ross Ice Shelf of Antarctica is almost totally clear, showing stress cracks in the ice surface caused by wind and tidal drift. Clouds on the eastern edge of the picture are associated with an Antarctic cyclone. Winds stirred up these storms have been known to reach hurricane force.

  10. Snow and ice on Bear Lake (Alaska – sensitivity experiments with two lake ice models

    Directory of Open Access Journals (Sweden)

    Tido Semmler

    2012-03-01

    Full Text Available Snow and ice thermodynamics of Bear Lake (Alaska are investigated with a simple freshwater lake model (FLake and a more complex snow and ice thermodynamic model (HIGHTSI. A number of sensitivity experiments have been carried out to investigate the influence of snow and ice parameters and of different complexity on the results. Simulation results are compared with observations from the Alaska Lake Ice and Snow Observatory Network. Adaptations of snow thermal and optical properties in FLake can largely improve accuracy of the results. Snow-to-ice transformation is important for HIGHTSI to calculate the total ice mass balance. The seasonal maximum ice depth is simulated in FLake with a bias of −0.04 m and in HIGHTSI with no bias. Correlation coefficients between ice depth measurements and simulations are high (0.74 for FLake and 0.9 for HIGHTSI. The snow depth simulation can be improved by taking into account a variable snow density. Correlation coefficients for surface temperature are 0.72 for FLake and 0.81 for HIGHTSI. Overall, HIGHTSI gives slightly more accurate surface temperature than FLake probably due to the consideration of multiple snow and ice layers and the expensive iteration calculation procedure.

  11. Molecular structure of vapor-deposited amorphous selenium

    Science.gov (United States)

    Goldan, A. H.; Li, C.; Pennycook, S. J.; Schneider, J.; Blom, A.; Zhao, W.

    2016-10-01

    The structure of amorphous selenium is clouded with much uncertainty and contradictory results regarding the dominance of polymeric chains versus monomer rings. The analysis of the diffraction radial distribution functions are inconclusive because of the similarities between the crystalline allotropes of selenium in terms of the coordination number, bond length, bond angle, and dihedral angle. Here, we took a much different approach and probed the molecular symmetry of the thermodynamically unstable amorphous state via analysis of structural phase transformations. We verified the structure of the converted metastable and stable crystalline structures using scanning transmission electron microscopy. In addition, given that no experimental technique can tell us the exact three-dimensional atomic arrangements in glassy semiconductors, we performed molecular-dynamic simulations using a well-established empirical three-body interatomic potential. We developed a true vapor-deposited process for the deposition of selenium molecules onto a substrate using empirical molecular vapor compositions and densities. We prepared both vapor-deposited and melt-quenched samples and showed that the simulated radial distribution functions match very well to experiment. The combination of our experimental and molecular-dynamic analyses shows that the structures of vapor- and melt-quenched glassy/amorphous selenium are quite different, based primarily on rings and chains, respectively, reflecting the predominant structure of the parent phase in its thermodynamic equilibrium.

  12. Novel Scheme of Amorphous/Crystalline Silicon Heterojunction Solar Cell

    Energy Technology Data Exchange (ETDEWEB)

    De Iuliis, S.; Geerligs, L.J. [ECN Solar Energy, Petten (Netherlands); Tucci, M.; Serenelli, L.; Salza, E. [ENEA Research Center Casaccia, Roma (Italy); De Cesare, G.; Caputo, D.; Ceccarelli, M. [University ' Sapienza' , Department of Electronic Engineering, Roma (Italy)

    2007-01-15

    In this paper we investigate in detail how the heterostructure concept can be implemented in an interdigitated back contact solar cell, in which both the emitters are formed on the back side of the c-Si wafer by amorphous/crystalline silicon heterostructure, and at the same time the grid-less front surface is passivated by a double layer of amorphous silicon and silicon nitride, which also provides an anti-reflection coating. The entire process, held at temperature below 300C, is photolithography-free, using a metallic self-aligned mask to create the interdigitated pattern, and we show that the alignment is feasible. An open-circuit voltage of 687 mV has been measured on a p-type monocrystalline silicon wafer. The mask-assisted deposition process does not influence the uniformity of the deposited amorphous silicon layers. Photocurrent limits factor has been investigated with the aid of one-dimensional modeling and quantum efficiency measurements. On the other hand several technological aspects that limit the fill factor and the short circuit current density still need improvements.

  13. Infrared Insight into the Network of Hydrogenated Amorphous and Polycrystalline Silicon thin Films

    Directory of Open Access Journals (Sweden)

    Jarmila Mullerova

    2006-01-01

    Full Text Available IR measurements were carried out on both amorphous and polycrystalline silicon samples deposited by PECVDon glass substrate. The transition from amorphous to polycrystalline phase was achieved by increasing dilution of silaneplasma at the deposition process. The samples were found to be mixed phase materials. Commonly, infrared spectra ofhydrogenated silicon thin films yield information about microstructure, hydrogen content and hydrogen bonding to silicon. Inthis paper, additional understanding was retrieved from infrared response. Applying standard optical laws, effective mediatheory and Clausius-Mossoti approach concerning the Si-Si and Si-H bonds under IR irradiation as individual oscillators,refractive indices in the long wavelength limit, crystalline, amorphous and voids volume fractions and the mass density of thefilms were determined. The mass density was found to decrease with increasing crystalline volume fraction, which can beattributed to the void-dominated mechanism of network formation.

  14. Excimer laser crystallization of amorphous silicon on metallic substrate

    Science.gov (United States)

    Delachat, F.; Antoni, F.; Slaoui, A.; Cayron, C.; Ducros, C.; Lerat, J.-F.; Emeraud, T.; Negru, R.; Huet, K.; Reydet, P.-L.

    2013-06-01

    An attempt has been made to achieve the crystallization of silicon thin film on metallic foils by long pulse duration excimer laser processing. Amorphous silicon thin films (100 nm) were deposited by radiofrequency magnetron sputtering on a commercial metallic alloy (N42-FeNi made of 41 % of Ni) coated by a tantalum nitride (TaN) layer. The TaN coating acts as a barrier layer, preventing the diffusion of metallic impurities in the silicon thin film during the laser annealing. An energy density threshold of 0.3 J cm-2, necessary for surface melting and crystallization of the amorphous silicon, was predicted by a numerical simulation of laser-induced phase transitions and witnessed by Raman analysis. Beyond this fluence, the melt depth increases with the intensification of energy density. A complete crystallization of the layer is achieved for an energy density of 0.9 J cm-2. Scanning electron microscopy unveils the nanostructuring of the silicon after laser irradiation, while cross-sectional transmission electron microscopy reveals the crystallites' columnar growth.

  15. Ion implantation damage and crystalline-amorphous transition in Ge

    Energy Technology Data Exchange (ETDEWEB)

    Impellizzeri, G.; Mirabella, S.; Grimaldi, M.G. [Universita di Catania, MATIS IMM-CNR (Italy); Dipartimento di Fisica e Astronomia, Catania (Italy)

    2011-05-15

    Experimental studies on the damage produced in (100) Ge substrates by implantation of Ge{sup +} ions at different energies (from 25 to 600 keV), fluences (from 2 x 10{sup 13} to 4 x 10{sup 14} cm{sup -2}) and temperature (room temperature, RT, or liquid-nitrogen temperature, LN{sub 2}T) have been performed by using the Rutherford backscattering spectrometry technique. We demonstrated that the higher damage rate of Ge with respect to Si is due to both the high stopping power of germanium atoms and the low mobility of point defects within the collision cascades. The amorphization of Ge has been modeled by employing the critical damage energy density model in a large range of implantation energies and fluences both at RT and LN{sub 2}T. The experimental results for implantation at LN{sub 2}T were fitted using a critical damage energy density of {proportional_to}1 eV/atom. A fictitious value of {proportional_to}5 eV/atom was obtained for the samples implanted at RT, essentially because at RT the damage annihilation plays a non-negligible role against the crystalline-amorphous transition phase. The critical damage energy density model was found to stand also for other ions implanted in crystalline Ge (Ar{sup +} and Ga{sup +}). (orig.)

  16. Influence of amorphous content on compaction behaviour of anhydrous alpha-lactose.

    Science.gov (United States)

    Ziffels, S; Steckel, H

    2010-03-15

    Modified lactoses are widely used as filler-binders in direct compression of tablets. Until today, little about the compaction behaviour of anhydrous alpha-lactose is known. In this study, a new method to prepare anhydrous alpha-lactose from alpha-lactose monohydrate by desiccation with heated ethanol was evaluated and the influence of amorphous content in the lactose powder prior to modification on powder properties, compaction behaviour and storage stability was determined. The modification process led to anhydrous alpha-lactose with decreased bulk and tapped density, increased flow rate and significantly higher specific surface area. Due to the higher specific surface area, the compaction behaviour of the anhydrous alpha-lactose was found to be significantly better than the compaction behaviour of powder blends consisting of alpha-lactose monohydrate and amorphous lactose. An influence of the amorphous content prior to modification could be observed only at higher compaction forces. In general, tablets of modified powders needed longer time to disintegrate directly after compression. However, the storage stability of modified tablets was found to be better compared to the amorphous-crystalline tablets which were influenced by storage conditions, initial crushing strength as well as amorphous content due to the re-crystallization of amorphous lactose during storage. 2009 Elsevier B.V. All rights reserved.

  17. Electrochemical evaluation of corrosion and tribocorrosion behaviour of amorphous and nanocrystalline cobalt–tungsten electrodeposited coatings

    Energy Technology Data Exchange (ETDEWEB)

    Fathollahzade, N.; Raeissi, K., E-mail: k_raeissi@cc.iut.ac.ir

    2014-11-14

    Amorphous and nanocrystalline Co–W coatings were electrodeposited on copper substrates from a citrate–ammonia bath. The coatings showed nodular surface morphologies, but a microcrack network was detected in the amorphous coating. However, a better corrosion resistance was achieved for the amorphous coating. During sliding under open circuit potential (OCP) condition, the potential of amorphous coating gradually became more active probably due to the widening of wear scar, and thus expansion of active area. The amorphous coatings showed a higher volume loss at OCP probably due to its lower microhardness. In anodic sliding, a sharp increase in current density was observed due to mass transport and depassivation effects. In all sliding conditions, the proportion of mass transport was higher than wear accelerated corrosion, which implied that the dissolution reaction of the coatings was mainly a mass-transport controlled process. The results also showed that the effect of sliding on degradation is more intense for the nanocrystalline coating. For both coatings, the formation of the superficial microcracks in the vicinity of wear scars indicating on a surface fatigue wear mechanism. - Highlights: • Mass-transport effect had higher proportion in tribocorrosion of Co–W coatings. • The major electrochemical-wear degradation was for the nanocrystalline coating. • The higher proportion of wear accelerated corrosion was for the amorphous coating. • Superficial microcracks were formed near scars due to the coatings brittleness.

  18. Aqueous ultracapacitors using amorphous MnO2 and reduced graphene oxide

    Science.gov (United States)

    Mery, Adrien; Ghamouss, Fouad; Autret, Cécile; Farhat, Douaa; Tran-Van, François

    2016-02-01

    Herein, synthesis and characterization of amorphous MnO2 and application in asymmetric aqueous ultracapacitors are reported. Different amorphous manganese oxide (MnO2) materials were synthesized from the reduction of KMnO4 in different media such as ethanol (EtOH) or dimethylformamide (DMF). The electrochemical behavior of amorphous MnO2, labeled MnO2-Et and MnO2-DMF, were studied by using cyclic voltammetry, impedance spectroscopy, and galvanostatic cycling in aqueous electrolyte. XRD, BET, TEM, and SEM characterizations highlighted the amorphous nature and the nanostructuration of these MnO2 materials. BET measurement established that these amorphous MnO2 are mesoporous. In addition, MnO2-Et exhibits a larger specific surface area (168 m2 g-1), a narrower pore diameters distribution with lower diameters compared to MnO2-DMF. These results are in agreement with the electrochemical results. Indeed, MnO2-Et shows a higher specific capacitance and lower impedance in aqueous K2SO4 electrolyte. Furthermore, aqueous asymmetric ultracapacitors were assembled and studied using amorphous MnO2 as positive electrode and reduced graphene oxide (rGO) as negative electrode. These asymmetric systems exhibit an electrochemical stability for more than 20,000 galvanostatic cycles at current density of 1 A g-1 with an operating voltage of 2 V.

  19. Snow on Antarctic sea ice

    Science.gov (United States)

    Massom, Robert A.; Eicken, Hajo; Hass, Christian; Jeffries, Martin O.; Drinkwater, Mark R.; Sturm, Matthew; Worby, Anthony P.; Wu, Xingren; Lytle, Victoria I.; Ushio, Shuki; Morris, Kim; Reid, Phillip A.; Warren, Stephen G.; Allison, Ian

    2001-08-01

    Snow on Antarctic sea ice plays a complex and highly variable role in air-sea-ice interaction processes and the Earth's climate system. Using data collected mostly during the past 10 years, this paper reviews the following topics: snow thickness and snow type and their geographical and seasonal variations; snow grain size, density, and salinity; frequency of occurrence of slush; thermal conductivity, snow surface temperature, and temperature gradients within snow; and the effect of snow thickness on albedo. Major findings include large regional and seasonal differences in snow properties and thicknesses; the consequences of thicker snow and thinner ice in the Antarctic relative to the Arctic (e.g., the importance of flooding and snow-ice formation); the potential impact of increasing snowfall resulting from global climate change; lower observed values of snow thermal conductivity than those typically used in models; periodic large-scale melt in winter; and the contrast in summer melt processes between the Arctic and the Antarctic. Both climate modeling and remote sensing would benefit by taking account of the differences between the two polar regions.

  20. Properties Of Gallium-doped Hydrogenated Amorphous Germanium

    OpenAIRE

    1995-01-01

    The effects of adding small quantities of gallium atoms to hydrogenated amorphous germanium (a-Ge:H) on its dark-conductivity, band-gap, electronic density of states and the hydrogen bonding, were studied in detail by dark-conductivity, optical and infrared-transmission, and photothermal- deflection-spectroscopy measurements. Films of a-Ge:H having relative Ga atomic concentrations ranging between 3×10-5 and 1×10-2 were deposited by the cosputtering of solid Ge and Ga targets in a rf-plasma s...

  1. Suspension plasma sprayed composite coating using amorphous powder feedstock

    Science.gov (United States)

    Chen, Dianying; Jordan, Eric H.; Gell, Maurice

    2009-03-01

    Al 2O 3-ZrO 2 composite coatings were deposited by the suspension plasma spray process using molecularly mixed amorphous powders. X-ray diffraction (XRD) analysis shows that the as-sprayed coating is composed of α-Al 2O 3 and tetragonal ZrO 2 phases with grain sizes of 26 nm and 18 nm, respectively. The as-sprayed coating has 93% density with a hardness of 9.9 GPa. Heat treatment of the as-sprayed coating reveals that the Al 2O 3 and ZrO 2 phases are homogeneously distributed in the composite coating.

  2. The sub-ice platelet layer and its influence on freeboard to thickness conversion of Antarctic sea ice

    Directory of Open Access Journals (Sweden)

    D. Price

    2014-02-01

    Full Text Available This is an investigation to quantify the influence of the sub-ice platelet layer on satellite measurements of total freeboard and their conversion to thickness of Antarctic sea ice. The sub-ice platelet layer forms as a result of the seaward advection of supercooled ice shelf water from beneath ice shelves. This ice shelf water provides an oceanic heat sink promoting the formation of platelet crystals which accumulate at the sea ice–ocean interface. The build-up of this porous layer increases sea ice freeboard, and if not accounted for, leads to overestimates of sea ice thickness from surface elevation measurements. In order to quantify this buoyant effect, the solid fraction of the sub-ice platelet layer must be estimated. An extensive in situ data set measured in 2011 in McMurdo Sound in the south-western Ross Sea is used to achieve this. We use drill-hole measurements and the hydrostatic equilibrium assumption to estimate a mean value for the solid fraction of this sub-ice platelet layer of 0.16. This is highly dependent upon the uncertainty in sea ice density. We test this value with independent Global Navigation Satellite System (GNSS surface elevation data to estimate sea ice thickness. We find that sea ice thickness can be overestimated by up to 19%, with a mean deviation of 12% as a result of the influence of the sub-ice platelet layer. It is concluded that in close proximity to ice shelves this influence should be considered universally when undertaking sea ice thickness investigations using remote sensing surface elevation measurements.

  3. New ice rules for nanoconfined monolayer ice from first principles

    CERN Document Server

    Corsetti, Fabiano; Artacho, Emilio

    2016-01-01

    Understanding the structural tendencies of nanoconfined water is of great interest for nanoscience and biology, where nano/micro-sized objects may be separated by very few layers of water. Here we investigate the properties of ice confined to a quasi-2D monolayer by a featureless, chemically neutral potential, using density-functional theory simulations with a non-local van der Waals density functional. An ab initio random structure search reveals all the energetically competitive monolayer configurations to belong to only two of the previously-identified families, characterized by a square or honeycomb hydrogen-bonding network, respectively. From an in-depth analysis we show that the well-known ice rules for bulk ice need to be revised for the monolayer, with distinct new rules appearing for the two networks. All identified stable phases for both are found to be non-polar (but with a topologically non-trivial texture for the square) and, hence, non-ferroelectric, in contrast to the predictions of empirical f...

  4. Stable amorphous semiconductors for solar cells. Final report; Stabile amorphe Halbleiterfilme fuer Solarzellen. Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Fuhs, W.; Lips, K.; Mell, H.; Stachowitz, R.; Will, S.; Ulber, I.

    1997-12-31

    This study was founded on the preceding projects. The main objective was the preparation and characterization of stable amorphous silicon films (a-Si:H) by plasma enhanced chemical vapor deposition (PECVD). For this purpose the deposition conditions were varied in a wide range. The main effort was on the change of the reactor geometry and the increase of the substrate temperature to values beyond 250 C. Comparative studies of the film stability were carried out using different degradation techniques. The electronic and structural properties of the films were investigated with the aim to find correlations between the stability and other film properties. Information on the defect density was obtained from electron spin resonance (ESR), photothermal deflection spectroscopy (PDS) and photocurrent spectroscopy (CPM). The influence of native and light-induced defects on the recombination kinetics was studied using both films and solar cells. The techniques mainly used for that were steady-state and frequency-resolved photoluminescence spectroscopy (FRS) and electrically detected magnetic resonance (EDMR). The results of these studies were published in international journals and presented at international conferences. (orig.) [Deutsch] Das Vorhaben baute auf den vorangegangenen Projekten auf. Wichtigstes Ziel war die Herstellung und Charakterisierung stabiler amorpher Siliziumfilme (a-Si:H) durch Plasmadeposition. Dazu wurden die Depositionsbedingungen in einem weiten Bereich variiert. Im Vordergrund standen dabei die Aenderung der Reaktorgeometrie und die Erhoehung der Substrattemperatur auf Werte oberhalb von 250 C. Die Stabilitaet der Filme wurde mit verschiedenen Degradationsverfahren vergleichend geprueft. Die Filme wurden hinsichtlich ihrer elektronischen und strukturellen Eigenschaften mit dem Ziel untersucht, einen Zusammenhang zwischen der Stabilitaet und anderen Probeneigenschaften aufzufinden. Als Messverfahren fuer die Defektdichte standen

  5. IOMASA SEA ICE DEVELOPMENTS

    DEFF Research Database (Denmark)

    Andersen, Søren; Tonboe, Rasmus; Heygster, Georg

    2005-01-01

    Sensitivity studies show that the radiometer ice concentration estimate can be biased by +10% by anomalous atmospheric emissivity and -20% by anomalous ice surface emissivity. The aim of the sea ice activities in EU 5th FP project IOMASA is to improve sea ice concentration estimates at higher...... spatial resolution. The project is in the process of facilitating an ice concentration observing system through validation and a better understanding of the microwave radiative transfer of the sea ice and overlying snow layers. By use of a novel modelling approach, it is possible to better detect...... and determine the circumstances that may lead to anomalous sea ice concentration retrieval as well as to assess and possibly minimize the sensitivities of the retrieval system. Through an active partnership with the SAF on Ocean and Sea Ice, a prototype system will be implemented as an experimental product...

  6. Dead-ice environments

    DEFF Research Database (Denmark)

    2010-01-01

    Kötlujökull transports considerable amounts of supraglacial debris at its snout because of frontal oscillations with frequent ice advances followed by ice-margin stagnation. Kötlujökull provides suitable conditions of studying dead-ice melting and landscape formation in a debris-charged lowland...... glacier environment. The scientific challenges are to answer the key questions. What are the conditions for dead-ice formation? From which sources does the sediment cover originate? Which melting and reworking processes act in the ice-cored moraines? What is the rate of de-icing in the ice-cored moraines...... and conclusions on dead-ice melting and landscape formation from Kötlujökull. Processes and landform-sediment associations are linked to the current climate and glacier–volcano interaction....

  7. IOMASA SEA ICE DEVELOPMENTS

    DEFF Research Database (Denmark)

    Andersen, Søren; Tonboe, Rasmus; Heygster, Georg

    2005-01-01

    Sensitivity studies show that the radiometer ice concentration estimate can be biased by +10% by anomalous atmospheric emissivity and -20% by anomalous ice surface emissivity. The aim of the sea ice activities in EU 5th FP project IOMASA is to improve sea ice concentration estimates at higher...... spatial resolution. The project is in the process of facilitating an ice concentration observing system through validation and a better understanding of the microwave radiative transfer of the sea ice and overlying snow layers. By use of a novel modelling approach, it is possible to better detect...... and determine the circumstances that may lead to anomalous sea ice concentration retrieval as well as to assess and possibly minimize the sensitivities of the retrieval system. Through an active partnership with the SAF on Ocean and Sea Ice, a prototype system will be implemented as an experimental product...

  8. Forecast Icing Product

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Forecast Icing Product (FIP) is an automatically-generated index suitable for depicting areas of potentially hazardous airframe icing. The FIP algorithm uses...

  9. Current Icing Product

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Current Icing Product (CIP) is an automatically-generated index suitable for depicting areas of potentially hazardous airframe icing. The CIP algorithm combines...

  10. Ice Adhesion Testing Facility

    Data.gov (United States)

    Federal Laboratory Consortium — Uses Evaluate and compare the relative performance of materials and surfcae coating based on their ability to aid in ice removal Test the effectiveness of de-icing...

  11. Microwave signature of sea-ice for GCOM-W1/AMSR2

    Science.gov (United States)

    Naoki, K.; Nishio, F.; Yoshikawa, M.

    2011-12-01

    The lowest Arctic sea-ice cover has been recorded in September 2007. After that, though it has increased in 2008 and 2009, it has decreased again in 2010. The factor of the sea-ice change is researched in various fields. Monitoring of a thin sea-ice thickness is important as these researches because the sea-ice thickness has influences for the heat budget. However the retrieval of thin sea-ice thickness is difficult because thin sea-ice brightness temperature (TB) depends on the salinity and temperature, and there exist the snow over the thin sea-ice. In order to know the relationship between sea-ice TB and sea-ice parameters, we observed thin sea-ice TB using Polarimetric Scanning Radiometer (PSR) and measured ice thickness by ship. The effect of sea-ice parameters on the TB was examined by model. The brightness temperature of the thin sea-ice was observed using PSR on board an aircraft in the Okhotsk on February 7, 2003. The sea-ice thickness was measured from the icebreaker synchronizing with the aircraft. The TB calculated the variation at the sea-ice with/without of the snow, thickness, and the density of the snow. The calculated result was consistent with the observed one in the 18GHz-Hpol. We show the snow density influenced the increased brightness temperature.

  12. Electronic transport in amorphous phase-change materials

    Energy Technology Data Exchange (ETDEWEB)

    Luckas, Jennifer Maria

    2012-09-14

    Phase change materials combine a pronounced contrast in resistivity and reflectivity between their disordered amorphous and ordered crystalline state with very fast crystallization kinetics. Due to this exceptional combination of properties phase-change materials find broad application in non-volatile optical memories such as CD, DVD or Bluray Disc. Furthermore, this class of materials demonstrates remarkable electrical transport phenomena in their disordered state, which have shown to be crucial for their application in electronic storage devices. The threshold switching phenomenon denotes the sudden decrease in resistivity beyond a critical electrical threshold field. The threshold switching phenomenon facilitates the phase transitions at practical small voltages. Below this threshold the amorphous state resistivity is thermally activated and is observed to increase with time. This effect known as resistance drift seriously hampers the development of multi-level storage devices. Hence, understanding the physical origins of threshold switching and resistance drift phenomena is crucial to improve non-volatile phase-change memories. Even though both phenomena are often attributed to localized defect states in the band gap, the defect state density in amorphous phase-change materials has remained poorly studied. Starting from a brief introduction of the physics of phase-change materials this thesis summarizes the most important models behind electrical switching and resistance drift with the aim to discuss the role of localized defect states. The centerpiece of this thesis is the investigation of defects state densities in different amorphous phase-change materials and electrical switching chalcogenides. On the basis of Modulated Photo Current (MPC) Experiments and Photothermal Deflection Spectroscopy, a sophisticated band model for the disordered phase of the binary phase-change alloy GeTe has been developed. By this direct experimental approach the band-model for a

  13. Realistic inversion of diffraction data for an amorphous solid: The case of amorphous silicon

    Science.gov (United States)

    Pandey, Anup; Biswas, Parthapratim; Bhattarai, Bishal; Drabold, D. A.

    2016-12-01

    We apply a method called "force-enhanced atomic refinement" (FEAR) to create a computer model of amorphous silicon (a -Si) based upon the highly precise x-ray diffraction experiments of Laaziri et al. [Phys. Rev. Lett. 82, 3460 (1999), 10.1103/PhysRevLett.82.3460]. The logic underlying our calculation is to estimate the structure of a real sample a -Si using experimental data and chemical information included in a nonbiased way, starting from random coordinates. The model is in close agreement with experiment and also sits at a suitable energy minimum according to density-functional calculations. In agreement with experiments, we find a small concentration of coordination defects that we discuss, including their electronic consequences. The gap states in the FEAR model are delocalized compared to a continuous random network model. The method is more efficient and accurate, in the sense of fitting the diffraction data, than conventional melt-quench methods. We compute the vibrational density of states and the specific heat, and we find that both compare favorably to experiments.

  14. Sea-Ice Deformation in a Coupled Ocean-Sea Ice Model and in Satellite Remote Sensing Data

    Science.gov (United States)

    Spreen, G.; Kwok, R.; Menemenlis, D.; Nguyen, A. T.

    2016-12-01

    A realistic representation of sea-ice deformation in models is important for accurate simulation of the sea ice mass balance. Simulated sea-ice deformation strain rates from model simulations with 4.5, 9, and 18-km horizontal grid spacing are compared with Synthetic Aperture Radar (SAR) satellite observations (RGPS). The used MITgcm model employs a viscous-plastic sea ice rheology. The figure below shows the ice thickness distributions for the three simulations on 15 November 1999. More ice fracturing and leads are visible in the 4.5 km solution. All three simulations can reproduce the large-scale ice deformation patterns, but small-scale sea-ice deformations and linear kinematic features are not adequately reproduced. The mean sea-ice total deformation rate is about 50% lower in all model solutions than in the satellite observations, especially in the seasonal sea ice zone. A decrease in model grid spacing, however, produces a higher density and more localized ice deformation features. The spatial scaling and probability density functions of all three model solutions follow a power-law similar to the RGPS observations, and contrary to what is found in other studies. Overall, the 4.5-km simulation produces the lowest misfits in divergence, vorticity, and shear when compared with RGPS data. Model sensitivity experiments show a strong impact of the ice strength parametrization on the Arctic Basin sea ice volume, which increased by 7% and 35% for a decrease in ice strength of, respectively, 30% and 70%, after 8 years of model integration. This volume increase is caused by a combination of dynamic and thermodynamic processes: the ice thickness increased by enhanced deformation and ice growth in leads, which is followed by a decrease in ice export. The balance of these processes leads to a new equilibrium Arctic Basin ice volume. Not addressed in this study is whether the differences between simulated and observed deformation rates are an intrinsic limitation of the

  15. Compaction of amorphous iron–boron powder

    DEFF Research Database (Denmark)

    Hendriksen, Peter Vang; Mørup, Steen; Koch, Christian

    1993-01-01

    Large scale practical use of bulk amorphous alloys requires the capability of molding the material to a desired design, for instance by compaction of an amorphous powder. This is a difficult task because the sintering temperature is limited by the crystallization temperature of the alloy.1 Here we...... report on attempts to compact amorphous iron–boron particles prepared by chemical reduction of Fe(II) ions in aqueous solution by NaBH4 (Ref. 2). The particles prepared in this way are pyrophoric, but can be passivated. The small particle size (10–100 nm), characteristic of this preparation technique...

  16. Ice Cream Headaches

    Science.gov (United States)

    Diseases and Conditions Ice cream headaches By Mayo Clinic Staff Ice cream headaches are brief, stabbing headaches that can happen when you eat, drink or inhale something cold. Digging into an ice cream cone is a common trigger, but eating or ...

  17. Islands in the ice

    DEFF Research Database (Denmark)

    Jørgensen, Tina; Kjær, Kurt H.; Haile, James Seymour

    2012-01-01

    Nunataks are isolated bedrocks protruding through ice sheets. They vary in age, but represent island environments in 'oceans' of ice through which organism dispersals and replacements can be studied over time. The J.A.D. Jensen's Nunataks at the southern Greenland ice sheet are the most isolated ...

  18. Interpretation of quantitative crystallographic texture in copper electrodeposits on amorphous substrates

    DEFF Research Database (Denmark)

    Pantleon, Karen; Jensen, Jens Arne Dahl; Somers, Marcel A. J.

    2004-01-01

    Crystallographic texture and morphology in Cu electrodeposits was studied in relation to the current density and the content of the organic levelling additive 3-mercapto-1-propanesulfonate. The substrate onto which Cu was electrodeposited consisted of amorphous Ni-P in order to allow substrate...

  19. Amorphous track predictions in ‘libamtrack’ for alanine relative effectiveness in ion beams

    DEFF Research Database (Denmark)

    Herrmann, Rochus; Greilich, Steffen; Grzanka, Leszek

    2011-01-01

    Solid state dosimetery in therapeutic ion beams is seriously hampered by ionisation density effects. In most cases the use of empirical corrections is limited and therefore model predictions, especially from amorphous track models (ATMs), play a major role. Due to its high saturation dose...

  20. Charge transport in amorphous InGaZnO thin-film transistors

    NARCIS (Netherlands)

    Germs, W.C.; Adriaans, W.H.; Tripathi, A.K.; Roelofs, W.S.C.; Cobb, B.; Janssen, R.A.J.; Gelinck, G.H.; Kemerink, M.

    2012-01-01

    We investigate the mechanism of charge transport in indium gallium zinc oxide (a-IGZO), an amorphous metal-oxide semiconductor. We measured the field-effect mobility and the Seebeck coefficient (S=ΔV/ΔT) of a-IGZO in thin-film transistors as a function of charge-carrier density for different tempera

  1. Sea-ice deformation in a coupled ocean-sea-ice model and in satellite remote sensing data

    Science.gov (United States)

    Spreen, Gunnar; Kwok, Ron; Menemenlis, Dimitris; Nguyen, An T.

    2017-07-01

    A realistic representation of sea-ice deformation in models is important for accurate simulation of the sea-ice mass balance. Simulated sea-ice deformation from numerical simulations with 4.5, 9, and 18 km horizontal grid spacing and a viscous-plastic (VP) sea-ice rheology are compared with synthetic aperture radar (SAR) satellite observations (RGPS, RADARSAT Geophysical Processor System) for the time period 1996-2008. All three simulations can reproduce the large-scale ice deformation patterns, but small-scale sea-ice deformations and linear kinematic features (LKFs) are not adequately reproduced. The mean sea-ice total deformation rate is about 40 % lower in all model solutions than in the satellite observations, especially in the seasonal sea-ice zone. A decrease in model grid spacing, however, produces a higher density and more localized ice deformation features. The 4.5 km simulation produces some linear kinematic features, but not with the right frequency. The dependence on length scale and probability density functions (PDFs) of absolute divergence and shear for all three model solutions show a power-law scaling behavior similar to RGPS observations, contrary to what was found in some previous studies. Overall, the 4.5 km simulation produces the most realistic divergence, vorticity, and shear when compared with RGPS data. This study provides an evaluation of high and coarse-resolution viscous-plastic sea-ice simulations based on spatial distribution, time series, and power-law scaling metrics.

  2. The Many Faces of Ice and Nonlinear Interferometry

    Science.gov (United States)

    Shultz, Mary Jane

    Ice is likely the most ubiquitous solid in the Universe, yet even here on Earth its surface contains many mysteries. At atmospheric pressure, the stable form of ice is hexagonal ice; known as Ih. This contribution will present data about (i) equilibrium growth at the ice-water interface, (ii) procedures to generate any targeted ice face, and (iii) vibrational spectra of the ice-air interface. Contrary to common belief, the stable ice-water interfaces does not consist of the basal face; rather it consists of pyramidal or prism faces. Growth results from a balance between the molecular density and the top half-bilayer configuration. Arguments reminiscent of Pauling's residual entropy of ice generate the configurational contribution. Prism faces are favored due to greater entropy. Ice grows cryptomorphologically: the macroscopic sample does not reveal the crystalline axes. Locating the crystal axes as well as generating authentic faces for fundamental studies use a combination of the birefringence of ice and etch profiles. Surface vibrational spectroscopy supports an ice model consisting of extended, cooperative motion and beyond-bonding-partner determination of hydrogen bond strength. The surface vibrational spectrum is probed with the nonlinear spectroscopy sum frequency generation (SFG). Currently, nonlinearity limits use of SFG to diagnose interactions. This limitation can be circumvented by measuring the full, complex spectrum. We will report initial results from a newly invented nonlinear interferometer that reveals the full complex spectrum.

  3. Physical Characteristics and Geobiology of 'Rotten' Arctic Sea Ice

    Science.gov (United States)

    Frantz, C. M.; Light, B.; Orellana, M. V.; Carpenter, S.; Junge, K.

    2015-12-01

    Arctic sea ice in its final stage of demise, "rotten ice", is characterized by seriously compromised structural integrity, making it difficult to collect and study. Consequently, little is known about the physical, chemical and biological properties of this ice type. Yet, as the Arctic melt season lengthens, this ice type will likely appear sooner and become more prevalent in the Arctic Ocean and its occurrence may be more common than satellite mapping and ice charts suggest (e.g., Barber et al., 2009). Here we present physical, chemical, biological, and optical measurements of first-year ice near Barrow, Alaska during the spring and summer of 2015. Samples represent a progression from solid, "springtime" shorefast ice (May); through melting, heavily melt-ponded, "summertime" shorefast ice (June); to the final stage of barely-intact, "rotten" ice collected from small floes Beaufort Sea (July). Results indicate that rotten ice exhibits low salinity, is well drained and has a lower density than its springtime counterpart. X-ray tomography of dimethyl phthalate-casted sea ice samples indicates differences in porosity and relative permeability in rotten ice vs. spring- and summertime ice. We also present a preliminary characterization of rotten sea ice as a microbial habitat using preliminary results of chemical measurements (nutrients, dissolved organic and inorganic carbon), and microbiological characterizations (concentrations and16S/18S rDNA-based identifications) from seawater vs. sea ice vs. sea ice brines. Optical measurements show that while decreased ice thickness and increased melt pond coverage cause an overall increase in solar radiation to the ocean as sea ice warms, rotten ice is actually less transparent to solar radiation than its spring- and summertime counterparts. These factors determine solar heating in the ocean and, ultimately, the potential for accelerated ice melting (e.g., Light et al., 2008). This work provides a foundation for understanding

  4. Qualitative observation of reversible phase change in astrochemical ethanethiol ices using infrared spectroscopy

    CERN Document Server

    Pavithraa, S; Gorai, P; Lo, J -I; Das, A; Sekhar, B N Raja; Pradeep, T; Cheng, B -M; Mason, N J; Sivaraman, B

    2016-01-01

    Here we report the first evidence for a reversible phase change in an ethanethiol ice prepared under astrochemical conditions. InfraRed (IR) spectroscopy was used to monitor the morphology of the ice using the S-H stretching vibration, a characteristic vibration of thiol molecules. The deposited sample was able to switch between amorphous and crystalline phases repeatedly under temperature cycles between 10 K and 130 K with subsequent loss of molecules in every phase change. Such an effect is dependent upon the original thickness of the ice. Further work on quantitative analysis is to be carried out in due course whereas here we are reporting the first results obtained.

  5. Qualitative observation of reversible phase change in astrochemical ethanethiol ices using infrared spectroscopy

    Science.gov (United States)

    Pavithraa, S.; Methikkalam, R. R. J.; Gorai, P.; Lo, J.-I.; Das, A.; Raja Sekhar, B. N.; Pradeep, T.; Cheng, B.-M.; Mason, N. J.; Sivaraman, B.

    2017-05-01

    Here we report the first evidence for a reversible phase change in an ethanethiol ice prepared under astrochemical conditions. InfraRed (IR) spectroscopy was used to monitor the morphology of the ice using the Ssbnd H stretching vibration, a characteristic vibration of thiol molecules. The deposited sample was able to switch between amorphous and crystalline phases repeatedly under temperature cycles between 10 K and 130 K with subsequent loss of molecules in every phase change. Such an effect is dependent upon the original thickness of the ice. Further work on quantitative analysis is to be carried out in due course whereas here we are reporting the first results obtained.

  6. Mass loss of Greenland's glaciers and ice caps 2003-2008 revealed from ICES at laser altimetry data

    DEFF Research Database (Denmark)

    Bolch, T.; Sørensen, Louise Sandberg; Simonsen, Sebastian Bjerregaard;

    2013-01-01

    The recently finalized inventory of Greenland's glaciers and ice caps (GIC) allows for the first time to determine the mass changes of the GIC separately from the ice sheet using space-borne laser altimetry data. Corrections for firn compaction and density that are based on climatic conditions...

  7. Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

    Science.gov (United States)

    Farmer, Joseph C.; Wong, Frank M.G.; Haslam, Jeffery J.; Yang, Nancy; Lavernia, Enrique J.; Blue, Craig A.; Graeve, Olivia A.; Bayles, Robert; Perepezko, John H.; Kaufman, Larry; Schoenung, Julie; Ajdelsztajn, Leo

    2014-07-15

    A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

  8. Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

    Science.gov (United States)

    Farmer, Joseph C [Tracy, CA; Wong, Frank M. G. [Livermore, CA; Haslam, Jeffery J [Livermore, CA; Yang, Nancy [Lafayette, CA; Lavernia, Enrique J [Davis, CA; Blue, Craig A [Knoxville, TN; Graeve, Olivia A [Reno, NV; Bayles, Robert [Annandale, VA; Perepezko, John H [Madison, WI; Kaufman, Larry [Brookline, MA; Schoenung, Julie [Davis, CA; Ajdelsztajn, Leo [Walnut Creek, CA

    2009-11-17

    A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

  9. Bulk amorphous Mg-based alloys

    DEFF Research Database (Denmark)

    Pryds, Nini

    2004-01-01

    The present paper describes the preparation and properties of bulk amorphous quarternary Mg-based alloys and the influence of additional elements on the ability of the alloy to form bulk amorphous. The main goal is to find a Mg-based alloy system which shows both high strength to weight ratio...... and a low glass transition temperature. The alloys were prepared by using a relatively simple technique, i.e. rapid cooling of the melt in a copper wedge mould. The essential structural changes that are achieved by going from the amorphous to the crystalline state through the supercooled liquid state...... are discussed in this paper. On the basis of these measurements phase diagrams of the different systems were constructed. Finally, it is demonstrated that when pressing the bulk amorphous alloy onto a metallic dies at temperatures within the supercooled liquid region, the alloy faithfully replicates the surface...

  10. Theoretical Considerations in Developing Amorphous Solid Dispersions

    DEFF Research Database (Denmark)

    Laitinen, Riikka; Priemel, Petra Alexandra; Surwase, Sachin;

    2014-01-01

    Before pursuing the laborious route of amorphous solid dispersion formulation and development, which is the topic of many of the subsequent chapters in this book, the formulation scientist would benefit from a priori knowledge whether the amorphous route is a viable one for a given drug and how...... to their glass-forming ability and glass stability. In the main parts of this chapter, we review theoretical approaches to determine amorphous drug polymer miscibility and crystalline drug polymer solubility, as a prerequisite to develop amorphous solid dispersions (glass solutions)....... much solubility improvement, and hence increase in bioavailability, can be expected, and what forms of solid dispersion have been developed in the past. In this chapter, we therefore initially define the various forms of solid dispersions, and then go on to discuss properties of pure drugs with respect...

  11. Tracer Diffusion Mechanism in Amorphous Solids

    Directory of Open Access Journals (Sweden)

    P. K. Hung

    2011-01-01

    Full Text Available Tracer diffusion in amorphous solid is studied by mean of nB-bubble statistic. The nB-bubble is defined as a group of atoms around a spherical void and large bubble that represents a structural defect which could be eliminated under thermal annealing. It was found that amorphous alloys such as CoxB100−x (x=90, 81.5 and 70 and Fe80P20 suffer from a large number of vacancy bubbles which function like diffusion vehicle. The concentration of vacancy bubble weakly depends on temperature, but essentially on the relaxation degree of considered sample. The diffusion coefficient estimated for proposed mechanism via vacancy bubbles is in a reasonable agreement with experiment for actual amorphous alloys. The relaxation effect for tracer diffusion in amorphous alloys is interpreted by the elimination of vacancy bubbles under thermal annealing.

  12. Amorphization strategy affects the stability and supersaturation profile of amorphous drug nanoparticles.

    Science.gov (United States)

    Cheow, Wean Sin; Kiew, Tie Yi; Yang, Yue; Hadinoto, Kunn

    2014-05-05

    Amorphous drug nanoparticles have recently emerged as a promising bioavailability enhancement strategy of poorly soluble drugs attributed to the high supersaturation solubility generated by the amorphous state and fast dissolution afforded by the nanoparticles. Herein we examine the effects of two amorphization strategies in the nanoscale, i.e., (1) molecular mobility restrictions and (2) high energy surface occupation, both by polymer excipient stabilizers, on the (i) morphology, (ii) colloidal stability, (iii) drug loading, (iv) amorphous state stability after three-month storage, and (v) in vitro supersaturation profiles, using itraconazole (ITZ) as the model drug. Drug-polyelectrolyte complexation is employed in the first strategy to prepare amorphous ITZ nanoparticles using dextran sulfate as the polyelectrolyte (ITZ nanoplex), while the second strategy employs pH-shift precipitation using hydroxypropylmethylcellulose as the surface stabilizer (nano-ITZ), with both strategies resulting in >90% ITZ utilization. Both amorphous ITZ nanoparticles share similar morphology (∼300 nm spheres) with the ITZ nanoplex exhibiting better colloidal stability, albeit at lower ITZ loading (65% versus 94%), due to the larger stabilizer amount used. The ITZ nanoplex also exhibits superior amorphous state stability, attributed to the ITZ molecular mobility restriction by electrostatic complexation with dextran sulfate. The higher stability, however, is obtained at the expense of slower supersaturation generation, which is maintained over a prolonged period, compared to the nano-ITZ. The present results signify the importance of selecting the optimal amorphization strategy, in addition to formulating the excipient stabilizers, to produce amorphous drug nanoparticles having the desired characteristics.

  13. IceChrono1: a probabilistic model to compute a common and optimal chronology for several ice cores

    Science.gov (United States)

    Parrenin, Frédéric; Bazin, Lucie; Capron, Emilie; Landais, Amaëlle; Lemieux-Dudon, Bénédicte; Masson-Delmotte, Valérie

    2016-04-01

    Polar ice cores provide exceptional archives of past environmental conditions. The dating of ice cores and the estimation of the age scale uncertainty are essential to interpret the climate and environmental records that they contain. It is however a complex problem which involves different methods. Here, we present IceChrono1, a new probabilistic model integrating various sources of chronological information to produce a common and optimized chronology for several ice cores, as well as its uncertainty. IceChrono1 is based on the inversion of three quantities: the surface accumulation rate, the Lock-In Depth (LID) of air bubbles and the thinning function. The chronological information integrated into the model are: models of the sedimentation process (accumulation of snow, densification of snow into ice and air trapping, ice flow), ice and air dated horizons, ice and air depth intervals with known durations, Δdepth observations (depth shift between synchronous events recorded in the ice and in the air) and finally air and ice stratigraphic links in between ice cores. The optimization is formulated as a least squares problem, implying that all densities of probabilities are assumed to be Gaussian. It is numerically solved using the Levenberg-Marquardt algorithm and a numerical evaluation of the model's Jacobian. IceChrono follows an approach similar to that of the Datice model which was recently used to produce the AICC2012 chronology for 4 Antarctic ice cores and 1 Greenland ice core. IceChrono1 provides improvements and simplifications with respect to Datice from the mathematical, numerical and programming point of views. The capabilities of IceChrono is demonstrated on a case study similar to the AICC2012 dating experiment. We find results similar to those of Datice, within a few centuries, which is a confirmation of both IceChrono and Datice codes. We also test new functionalities with respect to the original version of Datice: observations as ice intervals

  14. Arctic ice management

    Science.gov (United States)

    Desch, Steven J.; Smith, Nathan; Groppi, Christopher; Vargas, Perry; Jackson, Rebecca; Kalyaan, Anusha; Nguyen, Peter; Probst, Luke; Rubin, Mark E.; Singleton, Heather; Spacek, Alexander; Truitt, Amanda; Zaw, Pye Pye; Hartnett, Hilairy E.

    2017-01-01

    As the Earth's climate has changed, Arctic sea ice extent has decreased drastically. It is likely that the late-summer Arctic will be ice-free as soon as the 2030s. This loss of sea ice represents one of the most severe positive feedbacks in the climate system, as sunlight that would otherwise be reflected by sea ice is absorbed by open ocean. It is unlikely that CO2 levels and mean temperatures can be decreased in time to prevent this loss, so restoring sea ice artificially is an imperative. Here we investigate a means for enhancing Arctic sea ice production by using wind power during the Arctic winter to pump water to the surface, where it will freeze more rapidly. We show that where appropriate devices are employed, it is possible to increase ice thickness above natural levels, by about 1 m over the course of the winter. We examine the effects this has in the Arctic climate, concluding that deployment over 10% of the Arctic, especially where ice survival is marginal, could more than reverse current trends of ice loss in the Arctic, using existing industrial capacity. We propose that winter ice thickening by wind-powered pumps be considered and assessed as part of a multipronged strategy for restoring sea ice and arresting the strongest feedbacks in the climate system.

  15. A Magnetic Sensor with Amorphous Wire

    Directory of Open Access Journals (Sweden)

    Dongfeng He

    2014-06-01

    Full Text Available Using a FeCoSiB amorphous wire and a coil wrapped around it, we have developed a sensitive magnetic sensor. When a 5 mm long amorphous wire with the diameter of 0.1 mm was used, the magnetic field noise spectrum of the sensor was about 30 pT/ÖHz above 30 Hz. To show the sensitivity and the spatial resolution, the magnetic field of a thousand Japanese yen was scanned with the magnetic sensor.

  16. Amorphous Carbon-Boron Nitride Nanotube Hybrids

    Science.gov (United States)

    Kim, Jae Woo (Inventor); Siochi, Emilie J. (Inventor); Wise, Kristopher E. (Inventor); Lin, Yi (Inventor); Connell, John (Inventor)

    2016-01-01

    A method for joining or repairing boron nitride nanotubes (BNNTs). In joining BNNTs, the nanotube structure is modified with amorphous carbon deposited by controlled electron beam irradiation to form well bonded hybrid a-C/BNNT structures. In repairing BNNTs, the damaged site of the nanotube structure is modified with amorphous carbon deposited by controlled electron beam irradiation to form well bonded hybrid a-C/BNNT structures at the damage site.

  17. A Magnetic Sensor with Amorphous Wire

    OpenAIRE

    Dongfeng He; Mitsuharu Shiwa

    2014-01-01

    Using a FeCoSiB amorphous wire and a coil wrapped around it, we have developed a sensitive magnetic sensor. When a 5 mm long amorphous wire with the diameter of 0.1 mm was used, the magnetic field noise spectrum of the sensor was about 30 pT/ÖHz above 30 Hz. To show the sensitivity and the spatial resolution, the magnetic field of a thousand Japanese yen was scanned with the magnetic sensor.

  18. ICE SLURRY APPLICATIONS.

    Science.gov (United States)

    Kauffeld, M; Wang, M J; Goldstein, V; Kasza, K E

    2010-12-01

    The role of secondary refrigerants is expected to grow as the focus on the reduction of greenhouse gas emissions increases. The effectiveness of secondary refrigerants can be improved when phase changing media are introduced in place of single phase media. Operating at temperatures below the freezing point of water, ice slurry facilitates several efficiency improvements such as reductions in pumping energy consumption as well as lowering the required temperature difference in heat exchangers due to the beneficial thermo-physical properties of ice slurry. Research has shown that ice slurry can be engineered to have ideal ice particle characteristics so that it can be easily stored in tanks without agglomeration and then be extractable for pumping at very high ice fraction without plugging. In addition ice slurry can be used in many direct contact food and medical protective cooling applications. This paper provides an overview of the latest developments in ice slurry technology.

  19. Ice sheet in peril

    DEFF Research Database (Denmark)

    Hvidberg, Christine Schøtt

    2016-01-01

    Earth's large ice sheets in Greenland and Antarctica are major contributors to sea level change. At present, the Greenland Ice Sheet (see the photo) is losing mass in response to climate warming in Greenland (1), but the present changes also include a long-term response to past climate transitions....... On page 590 of this issue, MacGregor et al. (2) estimate the mean rates of snow accumulation and ice flow of the Greenland Ice Sheet over the past 9000 years based on an ice sheet-wide dated radar stratigraphy (3). They show that the present changes of the Greenland Ice Sheet are partly an ongoing...... response to the last deglaciation. The results help to clarify how sensitive the ice sheet is to climate changes....

  20. Forecasting Turbine Icing Events

    DEFF Research Database (Denmark)

    Davis, Neil; Hahmann, Andrea N.; Clausen, Niels-Erik;

    2012-01-01

    is not shut down for its protection. We also found that there is a a large spread across the various turbines within a wind park, in the amount of icing. This is currently not taken into account by our model. Evaluating and adding these small scale differences to the model will be undertaken as future work....... accumulations, which have not been seen in observations. In addition to the model evaluation we were able to investigate the potential occurrence of ice induced power loss at two wind parks in Europe using observed data. We found that the potential loss during an icing event is large even when the turbine......In this study, we present a method for forecasting icing events. The method is validated at two European wind farms in with known icing events. The icing model used was developed using current ice accretion methods, and newly developed ablation algorithms. The model is driven by inputs from the WRF...

  1. Ice sheet in peril

    DEFF Research Database (Denmark)

    Hvidberg, Christine Schøtt

    2016-01-01

    Earth's large ice sheets in Greenland and Antarctica are major contributors to sea level change. At present, the Greenland Ice Sheet (see the photo) is losing mass in response to climate warming in Greenland (1), but the present changes also include a long-term response to past climate transitions....... On page 590 of this issue, MacGregor et al. (2) estimate the mean rates of snow accumulation and ice flow of the Greenland Ice Sheet over the past 9000 years based on an ice sheet-wide dated radar stratigraphy (3). They show that the present changes of the Greenland Ice Sheet are partly an ongoing...... response to the last deglaciation. The results help to clarify how sensitive the ice sheet is to climate changes....

  2. Use of X-ray tomography to map crystalline and amorphous phases in frozen biomaterials.

    Science.gov (United States)

    Bischof, J C; Mahr, B; Choi, J H; Behling, M; Mewes, D

    2007-02-01

    .5 degrees C the variation of the NaCl and DMEM solutions is more than twice as large between -90 and +190 HU and was distinctly non-linear above 6 M. After freezing to -196 degrees C the variation of the NaCl and DMEM solutions increased even further to -80 to +225 HU and was distinctly non-linear above 4 M, which after modeling the phase change and crystallization process is shown to correlate with an amorphous phase. In all tissue systems the HU readings were similar to solutions but higher by roughly 30 HU, as well as showing some deviations at 0 M after storage, probably due to tissue swelling. The standard deviations in all measurements were roughly 5 HU or below in all samples. In addition, two practical examples for CT use were demonstrated including: (1) glycerol loading and freezing of tissue cores and, (2) a mock cryosurgical procedure. In the loading experiment CT was able to measure the permeation of the glycerol into the sample at 20 degrees C, as well as the evolution of distinct amorphous vs. crystalline phases after freezing to -196 degrees C. In the mock cryosurgery example, the iceball edge was clearly visualized, and attempts to determine the temperature within the iceball are discussed. An added benefit of this work is that the density of these frozen samples, an essential property in measurement and modeling of thermal processes, was obtained in comparison to ice.

  3. An empirical firn-densification model comprising ice-lences

    DEFF Research Database (Denmark)

    Reeh, Niels; Fisher, D.A.; Koerner, R.M.

    2005-01-01

    -density profiles from Canadian Arctic ice-core sites with large melting-refreezing percentages shows good agreement. The model is also used to estimate the long-term surface elevation change in interior Greenland that will result from temperature-driven changes of density-depth profiles. These surface elevation......In the past, several empirical firn-densification models have been developed fitted to measured density-depth profiles from Greenland and Antarctica. These models do not specifically deal with refreezing of meltwater in the firn. Ice lenses are usually indirectly taken into account by choosing...... a suitable value of the surface snow density. In the present study, a simple densification model is developed that specifically accounts for the content of ice lenses in the snowpack. An annual layer is considered to be composed of an ice fraction and a firn fraction. It is assumed that all meltwater formed...

  4. Thermal transport in amorphous materials: a review

    Science.gov (United States)

    Wingert, Matthew C.; Zheng, Jianlin; Kwon, Soonshin; Chen, Renkun

    2016-11-01

    Thermal transport plays a crucial role in performance and reliability of semiconductor electronic devices, where heat is mainly carried by phonons. Phonon transport in crystalline semiconductor materials, such as Si, Ge, GaAs, GaN, etc, has been extensively studied over the past two decades. In fact, study of phonon physics in crystalline semiconductor materials in both bulk and nanostructure forms has been the cornerstone of the emerging field of ‘nanoscale heat transfer’. On the contrary, thermal properties of amorphous materials have been relatively less explored. Recently, however, a growing number of studies have re-examined the thermal properties of amorphous semiconductors, such as amorphous Si. These studies, which included both computational and experimental work, have revealed that phonon transport in amorphous materials is perhaps more complicated than previously thought. For instance, depending on the type of amorphous materials, thermal transport occurs via three types of vibrations: propagons, diffusons, and locons, corresponding to the propagating, diffusion, and localized modes, respectively. The relative contribution of each of these modes dictates the thermal conductivity of the material, including its magnitude and its dependence on sample size and temperature. In this article, we will review the fundamental principles and recent development regarding thermal transport in amorphous semiconductors.

  5. Icing Operations - De-Icing Policy

    Directory of Open Access Journals (Sweden)

    Jaromír Procházka

    2013-07-01

    Full Text Available The accumulation of ice, frost and snow on aircraft surfaces can drastically reduce the climb and maneuvering capabilities of an aircraft. The removal of such contamination prior to take off MUST be strictly adhered to in accordance with regulations and standards. The policy with respect to aircraft icing contamination should be “MAKE IT CLEAN AND KEEP IT CLEAN”. All personnel associated with the dispatch and/or operation of aircraft share the responsibility for ensuring that no aircraft is dispatched unless it is clear of ice, snow or frost.

  6. Room-temperature fabrication of light-emitting thin films based on amorphous oxide semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Junghwan, E-mail: JH.KIM@lucid.msl.titech.ac.jp; Miyokawa, Norihiko; Ide, Keisuke [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Toda, Yoshitake [Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Hiramatsu, Hidenori; Hosono, Hideo; Kamiya, Toshio [Materials and Structures Laboratory, Tokyo Institute of Technology, Mailbox R3-4, 4259 Nagatsuta, Midori-ku, Yokohama (Japan); Materials Research Center for Element Strategy, Tokyo Institute of Technology, Mailbox SE-6, 4259 Nagatsuta, Midori-ku, Yokohama (Japan)

    2016-01-15

    We propose a light-emitting thin film using an amorphous oxide semiconductor (AOS) because AOS has low defect density even fabricated at room temperature. Eu-doped amorphous In-Ga-Zn-O thin films fabricated at room temperature emitted intense red emission at 614 nm. It is achieved by precise control of oxygen pressure so as to suppress oxygen-deficiency/excess-related defects and free carriers. An electronic structure model is proposed, suggesting that non-radiative process is enhanced mainly by defects near the excited states. AOS would be a promising host for a thin film phosphor applicable to flexible displays as well as to light-emitting transistors.

  7. A Thermodynamic Consideration on the Mechanism of Ultrasensitive Moisture Sensing by Amorphous Silica

    Science.gov (United States)

    Tsukahara, Y.; Tsuji, T.; Oizumi, T.; Akao, S.; Takeda, N.; Yamanaka, K.

    2017-07-01

    We detected the change in the phase velocity of surface acoustic waves propagating along the amorphous silica layer on a spherical single-crystal quartz due to the very small amount of moisture at less than 1 μmol{\\cdot } mol^{-1} in the ambient N2 gas. This was made possible for the first time because this system, called a ball SAW moisture sensor, was extremely sensitive. The measured phase velocity changed as a function of moisture density and temperature and was fitted strikingly well with a thermodynamic model assuming that dissociated H+ and OH- dissolved into the amorphous silica layer at room temperature.

  8. Metastable hydronium ions in UV-irradiated ice

    Energy Technology Data Exchange (ETDEWEB)

    Moon, Eui-Seong; Kang, Heon [Department of Chemistry, Seoul National University, 1 Gwanak-ro, Seoul 151-747 (Korea, Republic of)

    2012-11-28

    We show that the irradiation of UV light (10-11 eV) onto an ice film produces metastable hydronium (H{sub 3}O{sup +}) ions in the ice at low temperatures (53-140 K). Evidence of the presence of metastable hydronium ions was obtained by experiments involving adsorption of methylamine onto UV-irradiated ice films and hydrogen-deuterium (H/D) isotopic exchange reaction. The methylamine adsorption experiments showed that photogenerated H{sub 3}O{sup +} species transferred a proton to the methylamine arriving at the ice surface, thus producing the methyl ammonium ion, which was detected by low energy sputtering method. The H{sub 3}O{sup +} species induced the H/D exchange of water, which was monitored through the detection of water isotopomers on the surface by using the Cs{sup +} reactive ion scattering method. Thermal and temporal stabilities of H{sub 3}O{sup +} and its proton migration activity were examined. The lifetime of the hydronium ions in the amorphized ice was greater than 1 h at {approx}53 K and decreased to {approx}5 min at 140 K. Interestingly, a small portion of hydronium ions survived for an extraordinarily long time in the ice, even at 140 K. The average migration distance of protons released from H{sub 3}O{sup +} in the ice was estimated to be about two water molecules at {approx}54 K and about six molecules at 100 K. These results indicate that UV-generated hydronium ions can be efficiently stabilized in low-temperature ice. Such metastable hydronium ions may play a significant role in the acid-base chemistry of ice particles in interstellar clouds.

  9. SIMULATION OF THE Ku-BAND RADAR ALTIMETER SEA ICE EFFECTIVE SCATTERING SURFACE

    DEFF Research Database (Denmark)

    Tonboe, Rasmus; Andersen, Søren; Pedersen, Leif Toudal

    2006-01-01

    A radiative transfer model is used to simulate the sea ice radar altimeter effective scattering surface variability as a function of snow depth and density. Under dry snow conditions without layering these are the primary snow parameters affecting the scattering surface variability. The model...... is initialised with in situ data collected during the May 2004 GreenIce ice camp in the Lincoln Sea (73ºW; 85ºN). Our results show that the snow cover is important for the effective scattering surface depth in sea ice and thus for the range measurement, ice freeboard and ice thickness estimation....

  10. Molecular dynamics simulations of CO2 formation in interstellar ices

    Science.gov (United States)

    Arasa, C.; Andersson, S.; van Dishoeck, E. F.; Kroes, G. J.

    2011-05-01

    In dense interstellar clouds where new stars and planets are formed, small dust particles of micrometer silicates are covered by ice mantles, mainly consisting of H2O and also of CO, CO2, CH4 and other molecules. A high flux of UV photons can produce several photodissociative events. Previous MD calculations of H2O ice at Tice=10-90 K show that the photodesorption of H while OH remains trapped is the main outcome following photoexcitation in the first three monolayers (MLs). On the other hand, the H and OH photofragments released following photoexcitation deeper in the ice recombine or are trapped at separate positions, and can then react with other species in the ice. We hope to present results of MD calculations performed to study the photoinduced reaction of OH with CO through photodissociation of H2O in an amorphous COad - H2O ice at 10 K. This reaction pathway is supposed to be a principle route to form CO2 in interstellar ices.

  11. CO and N$_2$ desorption energies from water ice

    CERN Document Server

    Fayolle, Edith C; Loomis, Ryan; Bergner, Jennifer; Graninger, Dawn M; Rajappan, Mahesh; Öberg, Karin I

    2015-01-01

    The relative desorption energies of CO and N$_2$ are key to interpretations of observed interstellar CO and N$_2$ abundance patterns, including the well-documented CO and N$_2$H$^+$ anti-correlations in disks, protostars and molecular cloud cores. Based on laboratory experiments on pure CO and N$_2$ ice desorption, the difference between CO and N$_2$ desorption energies is small; the N$_2$-to-CO desorption energy ratio is 0.93$\\pm$0.03. Interstellar ices are not pure, however, and in this study we explore the effect of water ice on the desorption energy ratio of the two molecules. We present temperature programmed desorption experiments of different coverages of $^{13}$CO and $^{15}$N$_2$ on porous and compact amorphous water ices and, for reference, of pure ices. In all experiments, $^{15}$N$_2$ desorption begins a few degrees before the onset of $^{13}$CO desorption. The $^{15}$N$_2$ and $^{13}$CO energy barriers are 770 and 866 K for the pure ices, 1034-1143 K and 1155-1298 K for different sub-monolayer co...

  12. The structure and physical properties of paracrystalline atomistic models of amorphous silicon.

    Energy Technology Data Exchange (ETDEWEB)

    Voyles, P. M.; Zotov, N.; Nakhmanson, S. M.; Drabold, D. A.; Gibson, J. M.; Treacy, M. M. J.; Keblinski, P.; Materials Science Division; Univ. of Illinois; Univ. Bayreuth; Ohio Univ.; NEC Research Inst.; Rensselaer Polytechnic Inst.

    2001-11-01

    We have examined the structure and physical properties of paracrystalline molecular dynamics models of amorphous silicon. Simulations from these models show qualitative agreement with the results of recent mesoscale fluctuation electron microscopy experiments on amorphous silicon and germanium. Such agreement is not found in simulations from continuous random network models. The paracrystalline models consist of topologically crystalline grains which are strongly strained and a disordered matrix between them. We present extensive structural and topological characterization of the medium range order present in the paracrystalline models and examine their physical properties, such as the vibrational density of states, Raman spectra, and electron density of states. We show by direct simulation that the ratio of the transverse acoustic mode to transverse optical mode intensities I{sub TA}/I{sub TO} in the vibrational density of states and the Raman spectrum can provide a measure of medium range order. In general, we conclude that the current paracrystalline models are a good qualitative representation of the paracrystalline structures observed in the experiment and thus provide guidelines toward understanding structure and properties of medium-range-ordered structures of amorphous semiconductors as well as other amorphous materials.

  13. Land Ice: Greenland & Antarctic ice mass anomaly

    Data.gov (United States)

    National Aeronautics and Space Administration — Data from NASA's Grace satellites show that the land ice sheets in both Antarctica and Greenland are losing mass. The continent of Antarctica (left chart) has been...

  14. Ice Jams in Alaska. Ice Engineering. Number 16, February 1997

    Science.gov (United States)

    1997-02-01

    An ice jam is an accumulation of ice in rivers that restricts flow and can cause destructive floods costly to riv- erine communities. Freezeup jams...and reliable data on past ice jam events. The CRREL Ice Jam Database is such a com- pilation of freezeup and breakup ice jam events in the United

  15. Synthetic ice - keeping blue lines out of the red

    Energy Technology Data Exchange (ETDEWEB)

    Scott, R.

    1987-06-01

    A skating rink in Long Island has achieved considerable energy cost savings by eliminating the refrigerated ice and using synthetic ice. Called Glice, the synthetic material is made of a high-density polyethylene laid down on plywood panels and coated with a silicone compound. The surface is slightly slower to skate upon than real ice, and is easy and inexpensive to maintain (ca $2,000 per month compared with up to $75,000/y for refrigerated ice). Synthetic ice also offers advantages in training skaters, because of its frictional properties. Synthetic ice rinks are expected to find a good market in the southern USA, due to the absence of good skating facilities and the low operating costs. In Canada, installation of plastic rinks is currently being held up because of lack of approval from various hockey associations. 3 figs.

  16. Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation

    Science.gov (United States)

    Espinosa, Jorge R.; Zaragoza, Alberto; Rosales-Pelaez, Pablo; Navarro, Caridad; Valeriani, Chantal; Vega, Carlos; Sanz, Eduardo

    2016-09-01

    The avoidance of water freezing is the holy grail in the cryopreservation of biological samples, food, and organs. Fast cooling rates are used to beat ice nucleation and avoid cell damage. This strategy can be enhanced by applying high pressures to decrease the nucleation rate, but the physics behind this procedure has not been fully understood yet. We perform computer experiments to investigate ice nucleation at high pressures consisting in embedding ice seeds in supercooled water. We find that the slowing down of the nucleation rate is mainly due to an increase of the ice I -water interfacial free energy with pressure. Our work also clarifies the molecular mechanism of ice nucleation for a wide pressure range. This study is not only relevant to cryopreservation, but also to water amorphization and climate change modeling.

  17. Theoretical modeling of charge trapping in crystalline and amorphous Al2O3

    Science.gov (United States)

    Dicks, Oliver A.; Shluger, Alexander L.

    2017-08-01

    The characteristics of intrinsic electron and hole trapping in crystalline and amorphous Al2O3 have been studied using density functional theory (DFT). Special attention was paid to enforcing the piece-wise linearity of the total energy with respect to electron number through the use of a range separated, hybrid functional PBE0-TC-LRC (Guidon et al 2009 J. Chem. Theory Comput. 5 3010) in order to accurately model the behaviour of localized states. The tuned functional is shown to reproduce the geometric and electronic structures of the perfect crystal as well as the spectroscopic characteristics of MgAl hole centre in corundum α-Al2O3. An ensemble of ten amorphous Al2O3 structures was generated using classical molecular dynamics and a melt and quench method and their structural characteristics compared with the experimental data. The electronic structure of amorphous systems was characterized using the inverse participation ratio method. Electrons and holes were then introduced into both crystalline and amorphous alumina structures and their properties calculated. Holes are shown to trap spontaneously in both crystalline and amorphous alumina. In the crystalline phase they localize on single O ion with the trapping energy of 0.38 eV. In amorphous phase, holes localize on two nearest neighbour oxygen sites with an average trapping energy of 1.26 eV, with hole trapping sites separated on average by about 8.0 Å. No electron trapping is observed in the material. Our results suggest that trapping of positive charge can be much more severe and stable in amorphous alumina rather than in crystalline samples.

  18. Stabilisation of the amorphous state of a thin layer sandwiched between two crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hyot, B.; Poupinet, L.; Desre, P.J

    2003-11-01

    It has been experimentally proven that thinning an amorphous layer, sandwiched between two crystals, up to the nanometer scale, leads to a higher crystallization temperature. The present work is an attempt to explain such behaviour on the basis of thermodynamical arguments. The approach assumes that a nanometric amorphous layer is submitted to the crystal field leading to a gradient of atomic density across the glassy layer. It is shown that the stabilisation of the glassy layer is expected when approaching a thickness of few nanometers. This study is closely related to the concerns of the phase change optical storage because such a technology involves both the use of very thin films and fast structural transitions between the two states (amorphous and crystalline) of the active material.

  19. Predicting catalyst-support interactions between metal nanoparticles and amorphous silica supports

    Science.gov (United States)

    Ewing, Christopher S.; Veser, Götz; McCarthy, Joseph J.; Lambrecht, Daniel S.; Johnson, J. Karl

    2016-10-01

    Metal-support interactions significantly affect the stability and activity of supported catalytic nanoparticles (NPs), yet there is no simple and reliable method for estimating NP-support interactions, especially for amorphous supports. We present an approach for rapid prediction of catalyst-support interactions between Pt NPs and amorphous silica supports for NPs of various sizes and shapes. We use density functional theory calculations of 13 atom Pt clusters on model amorphous silica supports to determine linear correlations relating catalyst properties to NP-support interactions. We show that these correlations can be combined with fast discrete element method simulations to predict adhesion energy and NP net charge for NPs of larger sizes and different shapes. Furthermore, we demonstrate that this approach can be successfully transferred to Pd, Au, Ni, and Fe NPs. This approach can be used to quickly screen stability and net charge transfer and leads to a better fundamental understanding of catalyst-support interactions.

  20. Role of amorphous and aggregate phases on field-induced exciton dissociation in a conjugated polymer

    Science.gov (United States)

    Mróz, Marta M.; Lüer, Larry; Houarner-Rassin, Coralie; Anderson, Harry L.; Cabanillas-Gonzalez, Juan

    2013-01-01

    We have applied electric field assisted pump-probe spectroscopy in order to unravel the interplay of amorphous and aggregate phases on the polaron-pair photogeneration process in a conjugated porphyrin polymer. We find that excitons photogenerated in both phases are precursors for polaron pairs with different yields. Kinetic modeling indicates a substantially larger barrier for exciton dissociation in aggregates compared to amorphous areas. The majority of polaron pairs are however formed in aggregate phases due to efficient energy transfer from the amorphous phase. Based on the change in the Stark shift associated with the photogenerated polaron density, we provide a picture of the motion of polaron pairs under the external electric field.

  1. Laser annealing study of PECVD deposited hydrogenated amorphous silicon carbon alloy films

    Science.gov (United States)

    Coscia, U.; Ambrosone, G.; Gesuele, F.; Grossi, V.; Parisi, V.; Schutzmann, S.; Basa, D. K.

    2007-12-01

    The influence of carbon content on the crystallization process has been investigated for the excimer laser annealed hydrogenated amorphous silicon carbon alloy films deposited by Plasma Enhanced Chemical Vapour Deposition (PECVD) technique, using silane methane gas mixture diluted in helium, as well as for the hydrogenated microcrystalline silicon carbon alloy films prepared by PECVD from silane methane gas mixture highly diluted in hydrogen, for comparison. The study demonstrates clearly that the increase in the carbon content prevents the crystallization process in the hydrogen diluted samples while the crystallization process is enhanced in the laser annealing of amorphous samples because of the increase in the absorbed laser energy density that occurs for the amorphous films with the higher carbon content. This, in turn, facilitates the crystallization for the laser annealed samples with higher carbon content, resulting in the formation of SiC crystallites along with Si crystallites.

  2. The specific heat of pure and hydrogenated amorphous silicon

    Science.gov (United States)

    Queen, Daniel Robert

    At low temperature, amorphous materials have low energy excitations that result in a heat capacity that is in excess of the Debye heat capacity calculated from the sound velocity. These excitations are ubiquitous to the glassy state and occur with roughly the same density for all glasses. The specific heat has a linear temperature dependence below 1K that has been described by the phenomenological two-level systems (TLS) model in addition to a T 3 temperature dependence which is in excess of the T3 Debye specific heat. It is still unknown what exact mechanism gives rise to the TLS but it is assumed that groups of atoms have configurations that are close in energy and, at low temperature, these atoms can change configurations by tunneling through the energy barrier separating them. It has been an open question as to whether tetrahedrally bonded materials, like amorphous silicon, can support TLS due to the over-constrained nature of their bonding. It is shown in this work that amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) have specific heat CP in excess of the Debye specific heat which depends on the details of the growth process. There is a linear term that is due to TLS in addition to an excess T3 contribution. We find that the TLS density depends on number density of atoms in the a-Si film and that the presence of hydrogen in a-Si:H increases CP further. We suggest that regions of low density are sufficiently under-constrained to support tunneling between structural configurations at low temperature as described by the TLS model. The presence of H further lowers the energy barriers for the tunneling process resulting in an increase in TLS density in a-Si:H. The presence of H in a-Si:H network is found to be metastable. Annealing causes H to diffuse away from clustered regions which reduces the density of TLS. A low temperature anomaly is found in the a-Si:H films in their as prepared state that is of unknown origin but appears to take the

  3. Arctic Sea Ice

    Science.gov (United States)

    Stroeve, J. C.; Fetterer, F.; Knowles, K.; Meier, W.; Serreze, M.; Arbetter, T.

    2004-12-01

    Of all the recent observed changes in the Arctic environment, the reduction of sea ice cover stands out most prominantly. Several independent analysis have established a trend in Arctic ice extent of -3% per decade from the late 1970s to the late 1990s, with a more pronounced trend in summer. The overall downward trend in ice cover is characterized by strong interannual variability, with a low September ice extent in one year typically followed by recovery the next September. Having two extreme minimum years, such as what was observed in 2002 and 2003 is unusual. 2004 marks the third year in a row of substantially below normal sea ice cover in the Arctic. Early summer 2004 appeared unusual in terms of ice extent, with May a record low for the satellite period (1979-present) and June also exhibiting below normal ice extent. August 2004 extent is below that of 2003 and large reductions in ice cover are observed once again off the coasts of Siberia and Alaska and the Greenland Sea. Neither the 2002 or 2003 anomaly appeared to be strongly linked to the positive phase of the Arctic Oscillation (AO) during the preceding winter. Similarly, the AO was negative during winter 2003/2004. In the previous AO framework of Rigor et al (2002), a positive winter AO implied preconditioning of the ice cover to extensive summer decay. In this hypothesis, the AO does not explain all aspects of the recent decline in Arctic ice cover, such as the extreme minima of 2002, 2003 and 2004. New analysis by Rigor and Wallace (2004) suggest that the very positive AO state from 1989-1995 can explain the recent sea ice minima in terms of changes in the Arctic surface wind field associated with the previous high AO state. However, it is also reasonable to expect that a general decrease in ice thickness accompanying warming would manifest itself as greater sensitivity of the ice pack to wind forcings and albedo feedbacks. The decrease in multiyear ice and attendant changes in ice thickness

  4. Thermodynamics of ice nucleation in liquid water.

    Science.gov (United States)

    Wang, Xin; Wang, Shui; Xu, Qinzhi; Mi, Jianguo

    2015-01-29

    We present a density functional theory approach to investigate the thermodynamics of ice nucleation in supercooled water. Within the theoretical framework, the free-energy functional is constructed by the direct correlation function of oxygen-oxygen of the equilibrium water, and the function is derived from the reference interaction site model in consideration of the interactions of hydrogen-hydrogen, hydrogen-oxygen, and oxygen-oxygen. The equilibrium properties, including vapor-liquid and liquid-solid phase equilibria, local structure of hexagonal ice crystal, and interfacial structure and tension of water-ice are calculated in advance to examine the basis for the theory. The predicted phase equilibria and the water-ice surface tension are in good agreement with the experimental data. In particular, the critical nucleus radius and free-energy barrier during ice nucleation are predicted. The critical radius is similar to the simulation value, suggesting that the current theoretical approach is suitable in describing the thermodynamic properties of ice crystallization.

  5. Frost flowers on young Arctic sea ice: The climatic, chemical, and microbial significance of an emerging ice type

    DEFF Research Database (Denmark)

    Barber, D.; Ehn, J.; Pucko, M.

    2014-01-01

    Ongoing changes in Arctic sea ice are increasing the spatial and temporal range of young sea ice types over which frost flowers can occur, yet the significance of frost flowers to ocean-sea ice-atmosphere exchange processes remains poorly understood. Frost flowers form when moisture from seawater...... formed. The new ice and frost flowers dramatically changed the radiative and thermal environment. The frost flowers were about 5°C colder than the brine surface, with an approximately linear temperature gradient from their base to their upper tips. Salinity and δ18O values indicated that frost flowers...... of CO2 at the brine-wetted sea ice surface, in line with expectations from the brine chemistry. Bacteria concentrations generally increased with salinity in frost flowers and the surface slush layer. Bacterial densities and taxa indicated that a selective process occurred at the ice surface...

  6. Iron-based amorphous alloys and methods of synthesizing iron-based amorphous alloys

    Science.gov (United States)

    Saw, Cheng Kiong; Bauer, William A.; Choi, Jor-Shan; Day, Dan; Farmer, Joseph C.

    2016-05-03

    A method according to one embodiment includes combining an amorphous iron-based alloy and at least one metal selected from a group consisting of molybdenum, chromium, tungsten, boron, gadolinium, nickel phosphorous, yttrium, and alloys thereof to form a mixture, wherein the at least one metal is present in the mixture from about 5 atomic percent (at %) to about 55 at %; and ball milling the mixture at least until an amorphous alloy of the iron-based alloy and the at least one metal is formed. Several amorphous iron-based metal alloys are also presented, including corrosion-resistant amorphous iron-based metal alloys and radiation-shielding amorphous iron-based metal alloys.

  7. Nature of phase transitions in crystalline and amorphous GeTe-Sb2Te3 phase change materials.

    Science.gov (United States)

    Kalkan, B; Sen, S; Clark, S M

    2011-09-28

    The thermodynamic nature of phase stabilities and transformations are investigated in crystalline and amorphous Ge(1)Sb(2)Te(4) (GST124) phase change materials as a function of pressure and temperature using high-resolution synchrotron x-ray diffraction in a diamond anvil cell. The phase transformation sequences upon compression, for cubic and hexagonal GST124 phases are found to be: cubic → amorphous → orthorhombic → bcc and hexagonal → orthorhombic → bcc. The Clapeyron slopes for melting of the hexagonal and bcc phases are negative and positive, respectively, resulting in a pressure dependent minimum in the liquidus. When taken together, the phase equilibria relations are consistent with the presence of polyamorphism in this system with the as-deposited amorphous GST phase being the low entropy low-density amorphous phase and the laser melt-quenched and high-pressure amorphized GST being the high entropy high-density amorphous phase. The metastable phase boundary between these two polyamorphic phases is expected to have a negative Clapeyron slope. © 2011 American Institute of Physics

  8. Hidden force opposing ice compression

    CERN Document Server

    Sun, Chang Q; Zheng, Weitao

    2012-01-01

    Coulomb repulsion between the unevenly-bound bonding and nonbonding electron pairs in the O:H-O hydrogen-bond is shown to originate the anomalies of ice under compression. Consistency between experimental observations, density functional theory and molecular dynamics calculations confirmed that the resultant force of the compression, the repulsion, and the recovery of electron-pair dislocations differentiates ice from other materials in response to pressure. The compression shortens and strengthens the longer-and-softer intermolecular O:H lone-pair virtual-bond; the repulsion pushes the bonding electron pair away from the H+/p and hence lengthens and weakens the intramolecular H-O real-bond. The virtual-bond compression and the real-bond elongation symmetrize the O:H-O as observed at ~60 GPa and result in the abnormally low compressibility of ice. The virtual-bond stretching phonons ( 3000 cm-1) softened upon compression. The cohesive energy of the real-bond dominates and its loss lowers the critical temperat...

  9. Amorphous metallic alloys for oxygen reduction reaction in a polymer electrolyte membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Huerta, R.; Guerra-Martinez, I.; Lopez, J.S. [Inst. Politecnico Nacional, ESIQIE, Mexico City (Mexico). Lab. de Electroquimica; Pierna, A.R. [Basque Country Univ., San Sebastian (Spain). Dept. of Chemical Engineering and Environment; Solorza-Feria, O. [Inst. Politenico Nacional, Centro de Investigacion y de Estudios Avanzados, Mexico City (Mexico). Dept. de Quimica

    2010-07-15

    Direct methanol fuel cells (DMFC) and polymer electrolyte membrane fuel cells (PEMFC) represent an important, environmentally clean energy source. This has motivated extensive research on the synthesis, characterization and evaluation of novel and stable oxygen reduction electrocatalysts for the direct four-electron transfer process to water formation. Studies have shown that amorphous alloyed compounds can be used as electrode materials in electrochemical energy conversion devices. Their use in PEMFCs can optimize the electrocatalyst loading in the membrane electrode assembly (MEA). In this study, amorphous metallic PtSn, PtRu and PtRuSn alloys were synthesized by mechanical milling and used as cathodes for the oxygen reduction reaction (ORR) in sulphuric acid and in a single PEM fuel cell. Two different powder morphologies were observed before and after the chemical activation in a hydrofluoric acid (HF) solution at 25 degrees C. The kinetics of the ORR on the amorphous catalysts were investigated. The study showed that the amorphous metallic PtSn electrocatalyst was the most active of the 3 electrodes for the cathodic reaction. Fuel cell experiments were conducted at various temperatures at 30 psi for hydrogen (H{sub 2}) and at 34 psi for oxygen (O{sub 2}). MEAs made of Nafion 115 and amorphous metallic PtSn dispersed on carbon powder in a PEMFC had a power density of 156 mW per cm{sup 2} at 0.43V and 80 degrees C. 12 refs., 1 tab., 5 figs.

  10. Kagome spin ice

    Science.gov (United States)

    Mellado, Paula

    Spin ice in magnetic pyrochlore oxides is a peculiar magnetic state. Like ordinary water ice, these materials are in apparent violation with the third law of thermodynamics, which dictates that the entropy of a system in thermal equilibrium vanishes as its temperature approaches absolute zero. In ice, a "zero-point" entropy is retained down to low temperatures thanks to a high number of low-energy positions of hydrogen ions associated with the Bernal-Fowler ice-rules. Spins in pyrochlore oxides Ho2Ti 2O7 and Dy2Ti2O7 exhibit a similar degeneracy of ground states and thus also have a sizable zero-point entropy. A recent discovery of excitations carrying magnetic charges in pyrochlore spin ice adds another interesting dimension to these magnets. This thesis is devoted to a theoretical study of a two-dimensional version of spin ice whose spins reside on kagome, a lattice of corner-sharing triangles. It covers two aspects of this frustrated classical spin system: the dynamics of artificial spin ice in a network of magnetic nanowires and the thermodynamics of crystalline spin ice. Magnetization dynamics in artificial spin ice is mediated by the emission, propagation and absorption of domain walls in magnetic nanowires. The dynamics shows signs of self-organized behavior such as avalanches. The theoretical model compares favorably to recent experiments. The thermodynamics of the microscopic version of spin ice on kagome is examined through analytical calculations and numerical simulations. The results show that, in addition to the high-temperature paramagnetic phase and the low-temperature phase with magnetic order, spin ice on kagome may have an intermediate phase with fluctuating spins and ordered magnetic charges. This work is concluded with a calculation of the entropy of kagome spin ice at zero temperature when one of the sublattices is pinned by an applied magnetic field and the system breaks up into independent spin chains, a case of dimensional reduction.

  11. Automated wind-icing monitoring system

    Energy Technology Data Exchange (ETDEWEB)

    Horokhov, Y.; Nekrasov, Y.; Turbin, S. [Donbas National Academy of Civil Engineering and Architecture, Makeyevka, Donetsk (Ukraine); Grimud, G. [NEC Ukrenergo, Kiev (Ukraine)

    2005-07-01

    The development of automated wind-icing monitoring systems (AWIMS) has increased the operational reliability of existing overhead lines through a more accurate prediction of icing events in the Ukraine. The systems are capable of operating without the presence of personnel, and allow operators to immediately obtain information about icing processes. The systems provide statistically significant sets of data for determining and predicting loading conditions, as well as combining measurements of icing mass, wind speed and direction, temperature and humidity. An outline of the principles of AWIMS was presented in paper, as well as a description of the system's architecture and operating principles. The monitoring system consists of an ice mass measuring device; a strain gauge sensor; a photoelectric pickup to determine perpendicular mean wind direction; and a wire simulator. The measuring devices are installed 10 meters above ground. Data is transmitted every 30 minutes to a central information office, where information is processed and stored. Details of the ultrasonic anemometer for wind measurements as well as the devices used for humidity and temperature measurement were presented. The AWIMS computer software measures 6 climatic parameters: wind speed; wind direction; air temperature; humidity; icing mass; and wind pressure on ice-covered wires. Results of a series of tests were presented which included a weather station data analysis and a comparison of the AWIMS with standard climatic loads. An analysis of overhead line failure statistical data was also conducted. Spatial icing distributions were used to calculate the threshold sensitivity for the AWIMS. As estimation of overhead lines density per square kilometer showed was made to determine placement of the systems. It was concluded that 8 more AWIMS will be installed in the following year. 3 refs., 10 figs.

  12. Amorphous silicon detectors in positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Conti, M. (Istituto Nazionale di Fisica Nucleare, Pisa (Italy) Lawrence Berkeley Lab., CA (USA)); Perez-Mendez, V. (Lawrence Berkeley Lab., CA (USA))

    1989-12-01

    The physics of the detection process is studied and the performances of different Positron Emission Tomography (PET) system are evaluated by theoretical calculation and/or Monte Carlo Simulation (using the EGS code) in this paper, whose table of contents can be summarized as follows: a brief introduction to amorphous silicon detectors and some useful equation is presented; a Tantalum/Amorphous Silicon PET project is studied and the efficiency of the systems is studied by Monte Carlo Simulation; two similar CsI/Amorphous Silicon PET projects are presented and their efficiency and spatial resolution are studied by Monte Carlo Simulation, light yield and time characteristics of the scintillation light are discussed for different scintillators; some experimental result on light yield measurements are presented; a Xenon/Amorphous Silicon PET is presented, the physical mechanism of scintillation in Xenon is explained, a theoretical estimation of total light yield in Xenon and the resulting efficiency is discussed altogether with some consideration of the time resolution of the system; the amorphous silicon integrated electronics is presented, total noise and time resolution are evaluated in each of our applications; the merit parameters {epsilon}{sup 2}{tau}'s are evaluated and compared with other PET systems and conclusions are drawn; and a complete reference list for Xenon scintillation light physics and its applications is presented altogether with the listing of the developed simulation programs.

  13. Damageability of overhead lines during ice storms in Ukraine

    Energy Technology Data Exchange (ETDEWEB)

    Turbin, S. [Donbas National Academy of Civil Engineering and Architecture, Makeyevka, Donetsk (Ukraine); Grimud, G. [NEC Ukrenergo, Kiev (Ukraine)

    2005-07-01

    Statistical data of an icing event in the Ukraine where significant failures in overhead transmission occurred were presented. The icing event led to the damage of 20,931 overhead lines (OHLs). Approximately 3420 conductors were destroyed. Nearly 4 million people lived without electricity, heat, gas and water supplies for over a week, and in some cases for nearly 4 months. Most of the ice was deposited within 10 to 12 hours, and covered an area of over 226,000 square kilometers. Damage was compounded in some areas due to winds with a mean speed of 14-17 m/s. The density of ice deposits was estimated at over 800 kilograms per cubic meter. It was determined that the OHL damages sustained in icing events can be attributed mostly to the lack of codes and regulations in the design process, as well as the absence of ice melting devices, emergency stocks of towers, cables and wires. It was noted that at the time of the storm, methods for calculating ice loads and changes in ice thickness above ground level and from the diameter of conductors proved to be inaccurate. Unbalanced icing on conductors led to the collapse of towers, and cascade damages were caused by the absence of anti-cascade towers and devices. It was suggested that the use of prevention methods such as the reduction of insulator carrying capacity may have prevented tower damage. It was concluded that since the icing event, new Ukrainian rules and regulations for the design of OHLs have been put into place, and rules for OHL exploitation were determined. Automated icing monitoring systems to predict icing and wind events have been installed. Ice melting equipment, and emergency stocks of towers, cables, wires and new methods for the erection of towers are also being used. 2 refs., 3 tabs., 9 figs.

  14. Amorphous microcellular polytetrafluoroethylene foam film

    Science.gov (United States)

    Tang, Chongzheng

    1991-11-01

    We report herein the preparation of novel low-density ultramicrocellular fluorocarbon foams and their application. These fluorocarbon foams are of interest for the biochemistry arena in numerous applications including foodstuff, pharmacy, wine making, beer brewery, fermentation medical laboratory, and other processing factories. All of those require good quality processing programs in which, after eliminating bacterium and virus, compressed air is needed. Ordinarily, compressed air contains bacterium and virus, its size is 0.01 - 2 micrometers fluorocarbon foam films. Having average porous diameter 0.04 - 0.1 micrometers , these are stable to high temperature (280 degree(s)C) and chemical environments, and generally have good engineering and mechanical properties (e.g., low coefficient of thermal expansion, high modulus, and good dimensional stability). Our new process for preparing low density fluorocarbon foams provides materials with unique properties. As such, they offer the possibility for being superior to earlier materials for a number of the filter applications mentioned.

  15. Amery ice shelf DEM and its marine ice distribution

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The Amery Ice Shelf is the largest ice shelf in East Antarctica. A new DEM was generated for this ice shelf, using kriging to interpolate the data from ICESat altimetry and the AIS-DEM. The ice thickness distribution map is converted from the new DEM, assuming hydrostatic equilibrium. The Amery Ice Shelf marine ice, up to 230 m thick, is concentrated in the northwest of the ice shelf. The volume of the marine ice is 2.38×103 km3 and accounts for about 5.6% of the shelf volume.

  16. Ice Tank Experiments Highlight Changes in Sea Ice Types

    Science.gov (United States)

    Wilkinson, Jeremy P.; DeCarolis, Giacomo; Ehlert, Iris; Notz, Dirk; Evers, Karl-Ulrich; Jochmann, Peter; Gerland, Sebastian; Nicolaus, Marcel; Hughes, Nick; Kern, Stefan; de la Rosa, Sara; Smedsrud, Lars; Sakai, Shigeki; Shen, Hayley; Wadhams, Peter

    2009-03-01

    With the current and likely continuing reduction of summer sea ice extent in the Arctic Ocean, the predominant mechanism of sea ice formation in the Arctic is likely to change in the future. Although substantial new ice formation occurred under preexisting ice in the past, the fraction of sea ice formation in open water likely will increase significantly. In open water, sea ice formation starts with the development of small ice crystals, called frazil ice, which are suspended in the water column [World Meteorological Organization, 1985]. Under quiescent conditions, these crystals accumulate at the surface to form an unbroken ice sheet known in its early stage as nilas. Under turbulent conditions, caused by wind and waves, frazil ice continues to grow and forms into a thick, soupy mixture called grease ice. Eventually the frazil ice will coalesce into small, rounded pieces known as pancake ice, which finally consolidate into an ice sheet with the return of calm conditions. This frazil/pancake/ice sheet cycle is currently frequently observed in the Antarctic [Lange et al., 1989]. The cycle normally occurs in regions that have a significant stretch of open water, because this allows for the formation of larger waves and hence increased turbulence. Given the increase of such open water in the Arctic Ocean caused by retreating summer sea ice, the frazil/pancake/ice sheet cycle may also become the dominant ice formation process during freezeup in the Arctic.

  17. Time Evolution and Inter-Annual Variability of Seasonal Ice on the Mars Northern Polar Cap

    Science.gov (United States)

    Mount, C.; Titus, T. N.

    2012-03-01

    We explore the temporal density variations of Mars' NPSC and use ice depth and density estimates to constrain the CROCUS date for a specific location and compare it to the CROCUS dates from three previous Mars years.

  18. Ice-on-ice impact experiments.

    Science.gov (United States)

    Kato, Manabu; Iijima, Yu-Ichi; Arakawa, Masahiko; Okimura, Yasuyuki; Fujimura, Akio; Maeno, Norikazu; Mizutani, Hitoshi

    1995-02-01

    Impact experiments, cratering and fragmentation, on water ice were performed in order to test the scaling laws previously constructed on rocks and sands for studying the collision process in the planetary history. The installation of a vertical gas gun in a cold room at -18°C (255 K) made it possible to use a projectile of water ice and to get the detailed mass distribution of ice fragments. Experimental results indicated the necessity for large modification of those scaling laws. Material dependence was investigated by using projectiles of ice, aluminum, and polycarbonate. Differences were observed in the morphology and efficiencies of cratering and in the energies required to initiate the fragmentation. Moreover, an abrupt increase of cratering efficiency, suggesting a change of excavation mechanism, was found at a critical diameter of spalled crater. The mass (size) distribution of small ice fragments obeyed a power law with an exponent significantly larger than that in rocks. The exponent was the same as that in Saturn's ring particles estimated from the data by the microwave occultation, which indicates a collisional disruption ring origin.

  19. Towards upconversion for amorphous silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    de Wild, J.; Rath, J.K.; Schropp, R.E.I. [Utrecht University, Faculty of Science, Debye Institute for Nanomaterials Science, Nanophotonics, P.O. Box 80000, 3508 TA Utrecht (Netherlands); Meijerink, A. [Utrecht University, Faculty of Science, Debye Institute for Nanomaterials Science, Condensed Matter and Interfaces, P.O. Box 80000, 3508 TA Utrecht (Netherlands); van Sark, W.G.J.H.M. [Utrecht University, Copernicus Institute for Sustainable Development and Innovation, Science, Technology and Society, Heidelberglaan 2, 3584 CS Utrecht (Netherlands)

    2010-11-15

    Upconversion of subbandgap light of thin film single junction amorphous silicon solar cells may enhance their performance in the near infrared (NIR). In this paper we report on the application of the NIR-vis upconverter {beta}-NaYF{sub 4}:Yb{sup 3+}(18%) Er{sup 3+}(2%) at the back of an amorphous silicon solar cell in combination with a white back reflector and its response to infrared irradiation. Current-voltage measurements and spectral response measurements were done on experimental solar cells. An enhancement of 10 {mu}A/cm{sup 2} was measured under illumination with a 980 nm diode laser (10 mW). A part of this was due to defect absorption in localized states of the amorphous silicon. (author)

  20. Small Airframe Manufacturer's Icing Perspective

    Science.gov (United States)

    Hoppins, Jim

    2009-01-01

    This viewgraph presentation describes the icing effects, risk mitigation practices, and icing certifications for various Cessna small aircraft models. NASA's role in the development of simulation tools for icing certifications is also discussed.

  1. Bacterial Ice Crystal Controlling Proteins

    Directory of Open Access Journals (Sweden)

    Janet S. H. Lorv

    2014-01-01

    Full Text Available 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.

  2. Vacuum-UV spectroscopy of interstellar ice analogs. I. Absorption cross-sections of polar-ice molecules

    Science.gov (United States)

    Cruz-Diaz, G. A.; Muñoz Caro, G. M.; Chen, Y.-J.; Yih, T.-S.

    2014-02-01

    Context. The vacuum-UV (VUV) absorption cross sections of most molecular solids present in interstellar ice mantles with the exception of H2O, NH3, and CO2 have not been reported yet. Models of ice photoprocessing depend on the VUV absorption cross section of the ice to estimate the penetration depth and radiation dose, and in the past, gas phase cross section values were used as an approximation. Aims: We aim to estimate the VUV absorption cross section of molecular ice components. Methods: Pure ices composed of CO, H2O, CH3OH, NH3, or H2S were deposited at 8 K. The column density of the ice samples was measured in situ by infrared spectroscopy in transmittance. VUV spectra of the ice samples were collected in the 120-160 nm (10.33-7.74 eV) range using a commercial microwave-discharged hydrogen flow lamp. Results: We provide VUV absorption cross sections of the reported molecular ices. Our results agree with those previously reported for H2O and NH3 ices. Vacuum-UV absorption cross section of CH3OH, CO, and H2S in solid phase are reported for the first time. H2S presents the highest absorption in the 120-160 nm range. Conclusions: Our method allows fast and readily available VUV spectroscopy of ices without the need to use a synchrotron beamline. We found that the ice absorption cross sections can be very different from the gas-phase values, and therefore, our data will significantly improve models that simulate the VUV photoprocessing and photodesorption of ice mantles. Photodesorption rates of pure ices, expressed in molecules per absorbed photon, can be derived from our data. Data can be found at http://ghosst.osug.fr/

  3. Light Entrapping, Modeling & Effect of Passivation on Amorphous Silicon Based PV Cell

    Directory of Open Access Journals (Sweden)

    Md. Mostafizur Rahman

    2016-07-01

    Full Text Available This research paper present efforts to enhance the performance of amorphous silicon p-i-n type solar cell using sidewall passivation. For sidewall passivation, MEMS insulation material Al2O3 was used. The main objective of this paper is to observe the effect of sidewall passivation in amorphous silicon solar cell and increase the conversion efficiency of the solar cell. Passivation of Al2O3 is found effective to subdue reverse leakage. It increases the electric potential generated in the designed solar cell. It also increases the current density generated in the solar cell by suppressing the leakage. Enhancement in J-V curve was observed after adding sidewall passivation. The short circuit current density (Jsc increased from 14.7 mA/cm2 to 18.5 mA/cm2, open circuit voltage (Voc improved from 0.87 V to 0.89 V, and the fill factor also slightly increased. Due to the sidewall of passivation of Al2O3, conversion efficiency of amorphous silicon solar cell increased by 29.07%. At the end, this research was a success to improve the efficiency of the amorphous silicon solar cell by adding sidewall passivation.

  4. High pressure synthesis of amorphous TiO{sub 2} nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Quanjun; Liu, Ran; Wang, Tianyi; Xu, Ke; Dong, Qing; Liu, Bo; Liu, Bingbing, E-mail: liubb@jlu.edu.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Liu, Jing [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2015-09-15

    Amorphous TiO{sub 2} nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO{sub 2} nanotubes. The structural phase transitions of anatase TiO{sub 2} nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD) method. The starting anatase structure is stable up to ∼20GPa, and transforms into a high-density amorphous (HDA) form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO{sub 2} nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO{sub 2} phase was revealed by high-resolution transmission electron microscopy (HRTEM) study. In addition, the bulk modulus (B{sub 0} = 158 GPa) of the anatase TiO{sub 2} nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa). We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO{sub 2} nanotubes.

  5. Non-localized deformation in Cu−Zr multi-layer amorphous films under tension

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, C. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, H. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 1H9 (Canada); Cao, Q.P.; Wang, X.D. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, D.X. [State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027 (China); Hu, J.W. [Hangzhou Workers Amateur University, Hangzhou 310027 (China); Liaw, P.K. [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Jiang, J.Z., E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2016-09-05

    In metallic glasses (MGs), plastic deformation at room temperature is dominated by highly localized shear bands. Here we report the non-localized deformation under tension in Cu−Zr multi-layer MGs with a pure amorphous structure using large-scale atomistic simulations. It is demonstrated that amorphous samples with high layer numbers, composed of Cu{sub 64}Zr{sub 36} and Cu{sub 40}Zr{sub 60}, or Cu{sub 64}Zr{sub 36} and Cu{sub 50}Zr{sub 50}, present obviously non-localized deformation behavior. We reveal that the deformation behavior of the multi-layer-structured MG films is related but not determined by the deformation behavior of the composed individual layers. The criterion for the deformation mode change for MGs with a pure amorphous structure, in generally, was suggested, i.e., the competition between the elastic-energy density stored and the energy density needed for forming one mature shear band in MGs. Our results provide a promising strategy for designing tensile ductile MGs with a pure amorphous structure at room temperature. - Highlights: • Tensile deformation behaviors in multi-layer MG films. • Films with high layer numbers confirmed with a non-localized deformation behavior. • The deformation mode is reasonably controlled by whether U{sub p} larger than U{sub SB.}.

  6. Comparative study of thermal conductivity in crystalline and amorphous nanocomposite

    Science.gov (United States)

    Juangsa, Firman Bagja; Muroya, Yoshiki; Ryu, Meguya; Morikawa, Junko; Nozaki, Tomohiro

    2017-06-01

    Silicon nanocrystals (SiNCs)/polystyrene (PS) nanocomposite has been observed to have a significant decrease in thermal conductivity in terms of the SiNC fraction with unspecified factors remained unclear. In this paper, amorphous silicon nanoparticles (a-SiNPs) with a mean diameter of 6 nm and PS nanocomposites were synthesized, and their thermal conductivity, including the density and specific heat, was compared with our previous work which investigated well-crystalized SiNPs (6 nm) and PS nanocomposite. The difference between amorphous and crystalline structure is insignificant, but phonon scattering at SiNPs and PS boundary is the key influencing factor of thermal conductivity reduction. The effective thermal conductivity models for nanocomposite revealed that the thermal boundary resistance, explained by Kapitza principle, is estimated to be 4 × 10-7 m2K/W, showing the significant effect of nanostructured heterogenic surface resistance on overall heat transfer behavior. Preservation of unique properties nanoscale materials and low-cost fabrication by silicon inks process at room temperature give the promising potential of SiNPs based heat transfer management.

  7. Two-level tunneling systems in amorphous alumina

    Science.gov (United States)

    Lebedeva, Irina V.; Paz, Alejandro P.; Tokatly, Ilya V.; Rubio, Angel

    2014-03-01

    The decades of research on thermal properties of amorphous solids at temperatures below 1 K suggest that their anomalous behaviour can be related to quantum mechanical tunneling of atoms between two nearly equivalent states that can be described as a two-level system (TLS). This theory is also supported by recent studies on microwave spectroscopy of superconducting qubits. However, the microscopic nature of the TLS remains unknown. To identify structural motifs for TLSs in amorphous alumina we have performed extensive classical molecular dynamics simulations. Several bistable motifs with only one or two atoms jumping by considerable distance ~ 0.5 Å were found at T=25 K. Accounting for the surrounding environment relaxation was shown to be important up to distances ~ 7 Å. The energy asymmetry and barrier for the detected motifs lied in the ranges 0.5 - 2 meV and 4 - 15 meV, respectively, while their density was about 1 motif per 10 000 atoms. Tuning of motif asymmetry by strain was demonstrated with the coupling coefficient below 1 eV. The tunnel splitting for the symmetrized motifs was estimated on the order of 0.1 meV. The discovered motifs are in good agreement with the available experimental data. The financial support from the Marie Curie Fellowship PIIF-GA-2012-326435 (RespSpatDisp) is gratefully acknowledged.

  8. Measurement of the accumulation of water ice on optical components in cryogenic vacuum environments

    Science.gov (United States)

    Moeller, Trevor M.; Montgomery Smith, L.; Collins, Frank G.; Labello, Jesse M.; Rogers, James P.; Lowry, Heard S.; Crider, Dustin H.

    2012-11-01

    Standard vacuum practices mitigate the presence of water vapor and contamination inside cryogenic vacuum chambers. However, anomalies can occur in the facility that can cause the accumulation of amorphous water ice on optics and test articles. Under certain conditions, the amorphous ice on optical components shatters, which leads to a reduction in signal or failure of the component. An experiment was performed to study and measure the deposition of water (H2O) ice on optical surfaces under high-vacuum cryogenic conditions. Water was introduced into a cryogenic vacuum chamber, via a hydrated molecular sieve zeolite, through an effusion cell and impinged upon a quartz-crystal microbalance (QCM) and first-surface gold-plated mirror. A laser and photodiode setup, external to the vacuum chamber, monitored the multiple-beam interference reflectance of the ice-mirror configuration while the QCM measured the mass deposition. Data indicates that water ice, under these conditions, accumulates as a thin film on optical surfaces to thicknesses over 45 microns and can be detected and measured by nonintrusive optical methods which are based upon multiple-beam interference phenomena. The QCM validated the interference measurements. This experiment established proof-of-concept for a miniature system for monitoring ice accumulation within the chamber.

  9. Raman Amplifier Based on Amorphous Silicon Nanoparticles

    Directory of Open Access Journals (Sweden)

    M. A. Ferrara

    2012-01-01

    Full Text Available The observation of stimulated Raman scattering in amorphous silicon nanoparticles embedded in Si-rich nitride/silicon superlattice structures (SRN/Si-SLs is reported. Using a 1427 nm continuous-wavelength pump laser, an amplification of Stokes signal up to 0.9 dB/cm at 1540.6 nm and a significant reduction in threshold power of about 40% with respect to silicon are experimentally demonstrated. Our results indicate that amorphous silicon nanoparticles are a great promise for Si-based Raman lasers.

  10. Evidence for stable square ice from quantum Monte Carlo

    Science.gov (United States)

    Chen, Ji; Zen, Andrea; Brandenburg, Jan Gerit; Alfè, Dario; Michaelides, Angelos

    2016-12-01

    Recent experiments on ice formed by water under nanoconfinement provide evidence for a two-dimensional (2D) "square ice" phase. However, the interpretation of the experiments has been questioned and the stability of square ice has become a matter of debate. Partially this is because the simulation approaches employed so far (force fields and density functional theory) struggle to accurately describe the very small energy differences between the relevant phases. Here we report a study of 2D ice using an accurate wave-function based electronic structure approach, namely diffusion Monte Carlo (DMC). We find that at relatively high pressure, square ice is indeed the lowest enthalpy phase examined, supporting the initial experimental claim. Moreover, at lower pressures, a "pentagonal ice" phase (not yet observed experimentally) has the lowest enthalpy, and at ambient pressure, the "pentagonal ice" phase is degenerate with a "hexagonal ice" phase. Our DMC results also allow us to evaluate the accuracy of various density functional theory exchange-correlation functionals and force field models, and in doing so we extend the understanding of how such methodologies perform to challenging 2D structures presenting dangling hydrogen bonds.

  11. Meth (Crank, Ice) Facts

    Science.gov (United States)

    ... That People Abuse » Meth (Crank, Ice) Facts Meth (Crank, Ice) Facts Listen Methamphetamine—meth for short—is a white, bitter powder. Sometimes ... clear or white shiny rock (called a crystal). Meth powder can be eaten or snorted up the ...

  12. Ice Core Investigations

    Science.gov (United States)

    Krim, Jessica; Brody, Michael

    2008-01-01

    What can glaciers tell us about volcanoes and atmospheric conditions? How does this information relate to our understanding of climate change? Ice Core Investigations is an original and innovative activity that explores these types of questions. It brings together popular science issues such as research, climate change, ice core drilling, and air…

  13. Making an Ice Core.

    Science.gov (United States)

    Kopaska-Merkel, David C.

    1995-01-01

    Explains an activity in which students construct a simulated ice core. Materials required include only a freezer, food coloring, a bottle, and water. This hands-on exercise demonstrates how a glacier is formed, how ice cores are studied, and the nature of precision and accuracy in measurement. Suitable for grades three through eight. (Author/PVD)

  14. Ice Core Investigations

    Science.gov (United States)

    Krim, Jessica; Brody, Michael

    2008-01-01

    What can glaciers tell us about volcanoes and atmospheric conditions? How does this information relate to our understanding of climate change? Ice Core Investigations is an original and innovative activity that explores these types of questions. It brings together popular science issues such as research, climate change, ice core drilling, and air…

  15. Sputtering of water ice

    DEFF Research Database (Denmark)

    Baragiola, R.A.; Vidal, R.A.; Svendsen, W.

    2003-01-01

    We present results of a range of experiments of sputtering of water ice together with a guide to the literature. We studied how sputtering depends on the projectile energy and fluence, ice growth temperature, irradiation temperature and external electric fields. We observed luminescence from...

  16. Testing The Ice

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The country’s fourth scientific expedition tothe North Pole starts OBSERVATION STATIONS:Members of China’s fourth Arctic expedition set up polar bear-proof "apple houses" on the ice surface of the Arctic Ocean on August 8 The Chinese ice breaker Xuelong

  17. Rheology of glacier ice

    Science.gov (United States)

    Jezek, K. C.; Alley, R. B.; Thomas, R. H.

    1985-01-01

    A new method for calculating the stress field in bounded ice shelves is used to compare strain rate and deviatoric stress on the Ross Ice Shelf, Antarctica. The analysis shows that strain rate (per second) increases as the third power of deviatoric stress (in newtons/sq meter), with a constant of proportionality equal to 2.3 x 10 to the -25th.

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

    Science.gov (United States)

    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.

  19. Solvent-mediated amorphous-to-crystalline transformation of nitrendipine in amorphous particle suspensions containing polymers

    DEFF Research Database (Denmark)

    Xia, Dengning; Wu, Jian-Xiong; Cui, Fude;

    2012-01-01

    quantitatively determined using image analysis based on polarized light microscopy. The findings from the image analysis revealed that the transformation process occurred through the dissolution of amorphous drug precipitate followed by the nucleation and growth of the crystalline phase with the amorphous....... However, a further increase in drug concentration to 100mg/ml decelerated the growth of nitrendipine crystals. Combining image analysis of polarized light micrographs together with Raman spectroscopy and XRPD provided an in-depth insight into solid state transformations in amorphous nitrendipine...

  20. Topological characterization of crystalline ice structures from coordination sequences

    CERN Document Server

    Herrero, Carlos P

    2013-01-01

    Topological properties of crystalline ice structures are studied by considering ring statistics, coordination sequences, and topological density of different ice phases. The coordination sequences (number of sites at topological distance k from a reference site) have been obtained by direct enumeration until at least 40 coordination spheres for different ice polymorphs. This allows us to study the asymptotic behavior of the mean number of sites in the k-th shell, M_k, for high values of k: M_k ~ a k^2, a being a structure-dependent parameter. Small departures from a strict parabolic dependence have been studied by considering first and second differences of the series {M_k} for each structure. The parameter a ranges from 2.00 for ice VI to 4.27 for ice XII, and is used to define a topological density for these solid phases of water. Correlations between such topological density and the actual volume of ice phases are discussed. Ices Ih and Ic are found to depart from the general trend in this correlation due ...

  1. Low energy charged particles interacting with amorphous solid water layers

    Energy Technology Data Exchange (ETDEWEB)

    Horowitz, Yonatan; Asscher, Micha [Institute of Chemistry, Hebrew University of Jerusalem, Edmund J. Safra Campus, Givat-Ram, Jerusalem 91904 (Israel)

    2012-04-07

    The interaction of charged particles with condensed water films has been studied extensively in recent years due to its importance in biological systems, ecology as well as interstellar processes. We have studied low energy electrons (3-25 eV) and positive argon ions (55 eV) charging effects on amorphous solid water (ASW) and ice films, 120-1080 ML thick, deposited on ruthenium single crystal under ultrahigh vacuum conditions. Charging the ASW films by both electrons and positive argon ions has been measured using a Kelvin probe for contact potential difference (CPD) detection and found to obey plate capacitor physics. The incoming electrons kinetic energy has defined the maximum measurable CPD values by retarding further impinging electrons. L-defects (shallow traps) are suggested to be populated by the penetrating electrons and stabilize them. Low energy electron transmission measurements (currents of 0.4-1.5 {mu}A) have shown that the maximal and stable CPD values were obtained only after a relatively slow change has been completed within the ASW structure. Once the film has been stabilized, the spontaneous discharge was measured over a period of several hours at 103 {+-} 2 K. Finally, UV laser photo-emission study of the charged films has suggested that the negative charges tend to reside primarily at the ASW-vacuum interface, in good agreement with the known behavior of charged water clusters.

  2. Low energy charged particles interacting with amorphous solid water layers

    Science.gov (United States)

    Horowitz, Yonatan; Asscher, Micha

    2012-04-01

    The interaction of charged particles with condensed water films has been studied extensively in recent years due to its importance in biological systems, ecology as well as interstellar processes. We have studied low energy electrons (3-25 eV) and positive argon ions (55 eV) charging effects on amorphous solid water (ASW) and ice films, 120-1080 ML thick, deposited on ruthenium single crystal under ultrahigh vacuum conditions. Charging the ASW films by both electrons and positive argon ions has been measured using a Kelvin probe for contact potential difference (CPD) detection and found to obey plate capacitor physics. The incoming electrons kinetic energy has defined the maximum measurable CPD values by retarding further impinging electrons. L-defects (shallow traps) are suggested to be populated by the penetrating electrons and stabilize them. Low energy electron transmission measurements (currents of 0.4-1.5 μA) have shown that the maximal and stable CPD values were obtained only after a relatively slow change has been completed within the ASW structure. Once the film has been stabilized, the spontaneous discharge was measured over a period of several hours at 103 ± 2 K. Finally, UV laser photo-emission study of the charged films has suggested that the negative charges tend to reside primarily at the ASW-vacuum interface, in good agreement with the known behavior of charged water clusters.

  3. Pore evolution in interstellar ice analogues: simulating the effects of temperature increase

    CERN Document Server

    Cazaux, S; Linnartz, H; Tielens, A G G M

    2014-01-01

    Context. The level of porosity of interstellar ices - largely comprised of amorphous solid water (ASW) - contains clues on the trapping capacity of other volatile species and determines the surface accessibility that is needed for solid state reactions to take place. Aims. Our goal is to simulate the growth of amorphous water ice at low temperature (10 K) and to characterize the evolution of the porosity (and the specific surface area) as a function of temperature (from 10 to 120 K). Methods. Kinetic Monte Carlo simulations are used to mimic the formation and the thermal evolution of pores in amorphous water ice. We follow the accretion of gas-phase water molecules as well as their migration on surfaces with different grid sizes, both at the top growing layer and within the bulk. Results. We show that the porosity characteristics change substantially in water ice as the temperature increases. The total surface of the pores decreases strongly while the total volume decreases only slightly for higher temperatur...

  4. GLERL Radiation Transfer Through Freshwater Ice

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Radiation transmittance (ratio of transmitted to incident radiation) through clear ice, refrozen slush ice and brash ice, from ice surface to ice-water interface in...

  5. Surface abundance change in vacuum ultraviolet photodissociation of CO2 and H2O mixture ices.

    OpenAIRE

    Kinugawa, Takashi; Yabushita, Akihiro; Kawasaki, Masahiro; Hama, Tetsuya; Watanabe, Naoki

    2011-01-01

    Photodissociation of amorphous ice films of carbon dioxide and water co-adsorbed at 90 K was carried out at 157 nm using oxygen-16 and -18 isotopomers with a time-of-flight photofragment mass spectrometer. O((3)P(J)) atoms, OH (v = 0) radicals, and CO (v = 0, 1) molecules were detected as photofragments. CO is produced directly from the photodissociation of CO(2). Two different adsorption states of CO(2), i.e., physisorbed CO(2) on the surface of amorphous solid water and trapped CO(2) in the...

  6. Permeation of Light Gases through Hexagonal Ice

    Directory of Open Access Journals (Sweden)

    Luis Gales

    2012-09-01

    Full Text Available Gas separation using porous solids have attracted great attention due to their energetic applications. There is an enormous economic and environmental interest in the development of improved technologies for relevant processes, such as H2 production, CO2 separation or O2 and N2 purification from air. New materials are needed for achieving major improvements. Crystalline materials, displaying unidirectional and single-sized pores, preferentially with low pore tortuosity and high pore density, are promising candidates for membrane synthesis. Herein, we study hexagonal ice crystals as an example of this class of materials. By slowly growing ice crystals inside capillary tubes we were able to measure the permeation of several gas species through ice crystals and investigate its relation with both the size of the guest molecules and temperature of the crystal.

  7. Reversible devitrification in amorphous As2 Se3 under pressure

    DEFF Research Database (Denmark)

    Ahmad, Azkar Saeed; Lou, Hong Bo; Lin, Chuan Long

    2016-01-01

    In pressure-induced reversible structural transitions, the term "reversible" refers to the recovery of the virgin structure in a material upon complete decompression. Pressure-induced amorphous-to-crystalline transitions have been claimed to be reversible, but evidence that amorphous material...... recovers its virgin amorphous structure upon complete depressurization has been lacking. In amorphous As2Se3 (a-As2Se3) chalcogenide, however, we report a novel reversible amorphous-to-crystalline transition that provides compelling experimental evidence that upon complete decompression, the recovered...... amorphous phase is structurally the same as that of the virgin (as-cast) amorphous phase. Combining the experimental results with ab initio molecular dynamics simulations, we elucidate that the amorphization is mediated by a surplus of total free energy in the high-pressure face-centered cubic phase...

  8. Production, Properties and Applications of Bulk Amorphous Alloys

    Institute of Scientific and Technical Information of China (English)

    Tao Zhang; Akihisa Inoue

    2000-01-01

    A review is given of recent work concerned with the production method, the characteristic properties(1) Bulk amorphous system; (2) Mechanical and magnetic properties of bulkamorphous alloys; (3)application of bulk amorphous alloys.

  9. Stacking disorder in ice I.

    Science.gov (United States)

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

    2015-01-07

    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.

  10. Noise and degradation of amorphous silicon devices

    NARCIS (Netherlands)

    Bakker, J.P.R.

    2003-01-01

    Electrical noise measurements are reported on two devices of the disordered semiconductor hydrogenated amorphous silicon (a-Si:H). The material is applied in sandwich structures and in thin-film transistors (TFTs). In a sandwich configuration of an intrinsic layer and two thin doped layers, the obse

  11. Amorphous silicon for thin-film transistors

    NARCIS (Netherlands)

    Schropp, Rudolf Emmanuel Isidore

    1987-01-01

    Hydrogenated amorphous silicon (a-Si:H) has considerable potential as a semiconducting material for large-area photoelectric and photovoltaic applications. Moreover, a-Si:H thin-film transistors (TFT’s) are very well suited as switching devices in addressable liquid crystal display panels and addres

  12. Amorphous Alloy and Magnetic Stabilization Bed

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    @@ Sponsored by NSFC,a research team led by Prof.Enze Min (CAS Member) from Research Institute of Petroleum Processing,through 20 years' effort,settled the puzzled grave issue that amorphous alloy material has small specific surface area and low thermal stability.

  13. Unusual photoanisotropic alignment in amorphous azobenzene polymers

    DEFF Research Database (Denmark)

    Ramanujam, P.S.

    2015-01-01

    It is well known that irradiation of azobenzene polymer films between 490 and 530nm results in alignment of molecules perpendicular to the polarization of the incident beam. I have recently found that irradiation of amorphous azobenzene polymers with linearly polarized light at wavelengths between...

  14. Trap level spectroscopy in amorphous semiconductors

    CERN Document Server

    Mikla, Victor V

    2010-01-01

    Although amorphous semiconductors have been studied for over four decades, many of their properties are not fully understood. This book discusses not only the most common spectroscopic techniques but also describes their advantages and disadvantages.Provides information on the most used spectroscopic techniquesDiscusses the advantages and disadvantages of each technique

  15. Athermal nonlinear elastic constants of amorphous solids.

    Science.gov (United States)

    Karmakar, Smarajit; Lerner, Edan; Procaccia, Itamar

    2010-08-01

    We derive expressions for the lowest nonlinear elastic constants of amorphous solids in athermal conditions (up to third order), in terms of the interaction potential between the constituent particles. The effect of these constants cannot be disregarded when amorphous solids undergo instabilities such as plastic flow or fracture in the athermal limit; in such situations the elastic response increases enormously, bringing the system much beyond the linear regime. We demonstrate that the existing theory of thermal nonlinear elastic constants converges to our expressions in the limit of zero temperature. We motivate the calculation by discussing two examples in which these nonlinear elastic constants play a crucial role in the context of elastoplasticity of amorphous solids. The first example is the plasticity-induced memory that is typical to amorphous solids (giving rise to the Bauschinger effect). The second example is how to predict the next plastic event from knowledge of the nonlinear elastic constants. Using the results of our calculations we derive a simple differential equation for the lowest eigenvalue of the Hessian matrix in the external strain near mechanical instabilities; this equation predicts how the eigenvalue vanishes at the mechanical instability and the value of the strain where the mechanical instability takes place.

  16. Amorphous calcium carbonate particles form coral skeletons

    Science.gov (United States)

    Mass, Tali; Giuffre, Anthony J.; Sun, Chang-Yu; Stifler, Cayla A.; Frazier, Matthew J.; Neder, Maayan; Tamura, Nobumichi; Stan, Camelia V.; Marcus, Matthew A.; Gilbert, Pupa U. P. A.

    2017-09-01

    Do corals form their skeletons by precipitation from solution or by attachment of amorphous precursor particles as observed in other minerals and biominerals? The classical model assumes precipitation in contrast with observed “vital effects,” that is, deviations from elemental and isotopic compositions at thermodynamic equilibrium. Here, we show direct spectromicroscopy evidence in Stylophora pistillata corals that two amorphous precursors exist, one hydrated and one anhydrous amorphous calcium carbonate (ACC); that these are formed in the tissue as 400-nm particles; and that they attach to the surface of coral skeletons, remain amorphous for hours, and finally, crystallize into aragonite (CaCO3). We show in both coral and synthetic aragonite spherulites that crystal growth by attachment of ACC particles is more than 100 times faster than ion-by-ion growth from solution. Fast growth provides a distinct physiological advantage to corals in the rigors of the reef, a crowded and fiercely competitive ecosystem. Corals are affected by warming-induced bleaching and postmortem dissolution, but the finding here that ACC particles are formed inside tissue may make coral skeleton formation less susceptible to ocean acidification than previously assumed. If this is how other corals form their skeletons, perhaps this is how a few corals survived past CO2 increases, such as the Paleocene–Eocene Thermal Maximum that occurred 56 Mya.

  17. Electrodeposition of amorphous gold alloy films

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Masaru; Senda, Kazutaka [Central Research Laboratory, Kanto Chemical Co., Inc., Saitama 340-0003 (Japan); Advanced Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Musha, Yuta [Department of Applied Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Sasano, Junji [Kagami Memorial Laboratory for Materials Science and Technology, Waseda University, Tokyo 169-0051 (Japan); Okinaka, Yutaka [Advanced Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Osaka, Tetsuya [Department of Applied Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Kagami Memorial Laboratory for Materials Science and Technology, Waseda University, Tokyo 169-0051 (Japan); Advanced Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan)], E-mail: osakatet@waseda.jp

    2007-11-20

    The process for electroplating amorphous gold-nickel-tungsten alloy that we developed previously based on the addition of a gold salt to a known amorphous Ni-W electroplating solution was investigated further using the X-ray diffraction (XRD) method for the purpose of quickly surveying the effects of various experimental variables on the microstructure of the alloy. In this system the gold concentration in the plating bath was found to be critical; i.e., when it is either very low or very high, the deposit becomes crystalline to XRD. The deposit composition varies linearly with the mole ratio of Au to Ni in solution, and the alloy deposit is amorphous to XRD when the atomic ratio of Au/Ni in the deposit is between 0.5 and 1.5. At suitable concentrations of the metal ions, the deposit contains essentially no tungsten. By extending the work on the Au-Ni-W system, an amorphous Au-Co alloy plating process was also developed.

  18. Radiative recombination of excitons in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Jai [School of Engineering and Logistics, Faculty Technology, B-41, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jai.singh@cdu.edu.au

    2005-04-15

    A theory for calculating the radiative lifetime of excitons in amorphous semiconductors is presented. Four possibilities of excitonic radiative recombination are considered and the corresponding rates are derived at thermal equilibrium. The radiative lifetime is calculated from the inverse of the maximum rate for all the four possibilities. Results agree very well with experiments.

  19. Film adhesion in amorphous silicon solar cells

    Indian Academy of Sciences (India)

    A R M Yusoff; M N Syahrul; K Henkel

    2007-08-01

    A major issue encountered during fabrication of triple junction -Si solar cells on polyimide substrates is the adhesion of the solar cell thin films to the substrates. Here, we present our study of film adhesion in amorphous silicon solar cells made on different polyimide substrates (Kapton VN, Upilex-S and Gouldflex), and the effect of tie coats on film adhesion.

  20. Amorphous track models: a numerical comparison study

    DEFF Research Database (Denmark)

    Greilich, Steffen; Grzanka, Leszek; Hahn, Ute;

    Amorphous track models such as Katz' Ion-Gamma-Kill (IGK) approach [1, 2] or the Local Effect Model (LEM) [3, 4] had reasonable success in predicting the response of solid state dosimeters and radiobiological systems. LEM is currently applied in radiotherapy for biological dose optimization in ca...

  1. Amorphous track models: A numerical comparison study

    DEFF Research Database (Denmark)

    Greilich, Steffen; Grzanka, L.; Bassler, N.;

    2010-01-01

    We present an open-source code library for amorphous track modelling which is suppose to faciliate the application and numerical comparability as well as serve as a frame-work for the implementation of new models. We show an example of using the library indicating the choice of submodels has a si...

  2. Vacuum-UV spectroscopy of interstellar ice analogs. I. Absorption cross-sections of polar-ice molecules

    CERN Document Server

    Cruz-Diaz, G A; Chen, Y -J; Yih, T -S

    2014-01-01

    The VUV absorption cross sections of most molecular solids present in interstellar ice mantles with the exception of H2O, NH3, and CO2 have not been reported yet. Models of ice photoprocessing depend on the VUV absorption cross section of the ice to estimate the penetration depth and radiation dose, and in the past, gas phase cross section values were used as an approximation. We aim to estimate the VUV absorption cross section of molecular ice components. Pure ices composed of CO, H2O, CH3OH, NH3, or H2S were deposited at 8 K. The column density of the ice samples was measured in situ by infrared spectroscopy in transmittance. VUV spectra of the ice samples were collected in the 120-160 nm (10.33-7.74 eV) range using a commercial microwave-discharged hydrogen flow lamp. We provide VUV absorption cross sections of the reported molecular ices. Our results agree with those previously reported for H2O and NH3 ices. Vacuum-UV absorption cross section of CH3OH, CO, and H2S in solid phase are reported for the first...

  3. Properties of interfaces in amorphous/crystalline silicon heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Olibet, Sara; Vallat-Sauvain, Evelyne; Fesquet, Luc; Damon-Lacoste, Jerome; De Wolf, Stefaan; Ballif, Christophe [Ecole Polytechnique Federale de Lausanne (EPFL), IMT, Photovoltaics and Thin Film Electronics Laboratory, Breguet 2, 2000 Neuchatel (Switzerland); Monachon, Christian; Hessler-Wyser, Aicha [Ecole Polytechnique Federale de Lausanne (EPFL), Interdisciplinary Centre for Electron Microscopy (CIME), 1015 Lausanne (Switzerland)

    2010-03-15

    To study recombination at the amorphous/crystalline Si (a-Si:H/c-Si) heterointerface, the amphoteric nature of silicon (Si) dangling bonds is taken into account. Modeling interface recombination measured on various test structures provides insight into the microscopic passivation mechanisms, yielding an excellent interface defect density reduction by intrinsic a-Si:H and tunable field-effect passivation by doped layers. The potential of this model's applicability to recombination at other Si heterointerfaces is demonstrated. Solar cell properties of a-Si:H/c-Si heterojunctions are in good accordance with the microscopic interface properties revealed by modeling, that are, e.g., slight asymmetries in the neutral capture cross-sections and band offsets. The importance of atomically abrupt interfaces and the difficulties to obtain them on pyramidally textured c-Si is studied in combination with transmission electron microscopy. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  4. High and low thermal conductivity of amorphous macromolecules

    Science.gov (United States)

    Xie, Xu; Yang, Kexin; Li, Dongyao; Tsai, Tsung-Han; Shin, Jungwoo; Braun, Paul V.; Cahill, David G.

    2017-01-01

    We measure the thermal conductivity, heat capacity and sound velocity of thin films of five polymers, nine polymer salts, and four caged molecules to advance the fundamental understanding of the lower and upper limits to heat conduction in amorphous macromolecules. The thermal conductivities vary by more than one order of magnitude, from 0.06 W m-1K-1 for [6,6]-phenyl-C71-butyric acid methyl ester to 0.67 W m-1K-1 for poly(vinylphosphonic acid calcium salt). Minimum thermal conductivity calculated from the measured sound velocity and effective atomic density is in good agreement with the thermal conductivity of macromolecules with various molecular structures and intermolecular bonding strength.

  5. Suspension plasma sprayed composite coating using amorphous powder feedstock

    Energy Technology Data Exchange (ETDEWEB)

    Chen Dianying [Department of Chemical, Materials and Biomolecular Engineering, Institute of Materials Science, University of Connecticut, 97 N Eagleville Rd U-3136, Storrs, CT 06269 (United States)], E-mail: chendy@ims.uconn.edu; Jordan, Eric H. [Department of Mechanical Engineering, University of Connecticut, Storrs, CT 06269 (United States); Gell, Maurice [Department of Chemical, Materials and Biomolecular Engineering, Institute of Materials Science, University of Connecticut, 97 N Eagleville Rd U-3136, Storrs, CT 06269 (United States)

    2009-03-15

    Al{sub 2}O{sub 3}-ZrO{sub 2} composite coatings were deposited by the suspension plasma spray process using molecularly mixed amorphous powders. X-ray diffraction (XRD) analysis shows that the as-sprayed coating is composed of {alpha}-Al{sub 2}O{sub 3} and tetragonal ZrO{sub 2} phases with grain sizes of 26 nm and 18 nm, respectively. The as-sprayed coating has 93% density with a hardness of 9.9 GPa. Heat treatment of the as-sprayed coating reveals that the Al{sub 2}O{sub 3} and ZrO{sub 2} phases are homogeneously distributed in the composite coating.

  6. Electrocatalytic properties of Ni-Zr based amorphous and nanocrystalline alloys

    Energy Technology Data Exchange (ETDEWEB)

    Baricco, M.; Minichilli, F. [Torino Univ. (Italy). Dipt. di Chimica; Angelini, E.; Spriano, S.; Rosalbino, F.; Spinelli, P.; Antonione, C. [Dipt. di Scienza dei Materiali e Ingegneria Chimica, Politecnico di Torino (Italy)

    1997-12-31

    The electrocatalytic activity of Ni-Zr based crystalline and amorphous alloys has been tested for the hydrogen evolution reaction. Ni{sub 36}Zr{sub 64} and Ni{sub 27}Zr{sub 48}Al{sub 25} amorphous alloys have been produced in ribbon form by rapid solidification. The amorphous-to-crystalline transformation has been followed by DSC, XRD and TEM. The various samples have been subjected to electrochemical tests by means of cathodic polarization curves in 1 M KOH at 25 C and the obtained exchange current density has been taken as a measure of catalytic efficiency. Surface activation treatments have been performed by chemical etching in HF or by leaching in KOH and a morphological and compositional analysis of the surfaces has been performed by SEM/EDS. The electrochemical behaviour of pure elements (Ni and Zr) has also been considered for comparison. All the samples need a chemical pre-treatment in order to become active. A higher electrocatalytic activity has been observed for amorphous with respect to crystalline alloys with the same composition. For a nanocrystalline microstructure, obtained by partial crystallization of amorphous Zr{sub 64}Ni{sub 36}, an electrocatalytic efficiency comparable to that of the amorphous phase has been observed. Treatments with concentrated HF solutions enhance the electrocatalytic activity and this effect has been related to the formation of nanocrystalline Ni at the surfaces. The leaching of Zr{sub 48}Ni{sub 27}Al{sub 25} produces also small Ni particles owing to the dissolution of Al. (orig.) 15 refs.

  7. Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying

    DEFF Research Database (Denmark)

    Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger;

    2015-01-01

    In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co......-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed...... the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from...

  8. Radiation damage and associated phase change effect on photodesorption rates from ices—Lyα studies of the surface behavior of CO{sub 2}(ice)

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Chunqing; Yates, John T. Jr., E-mail: jty2n@virginia.edu [Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States)

    2014-01-01

    Photodesorption from a crystalline film of CO{sub 2}(ice) at 75 K has been studied using Lyα (10.2 eV) radiation. We combine quantitative mass spectrometric studies of gases evolved and transmission IR studies of species trapped in the ice. Direct CO desorption is observed from the primary CO{sub 2} photodissociation process, which occurs promptly for CO{sub 2} molecules located on the outermost surface of the ice (Process I). As the fluence of Lyα radiation increases to ∼5.5 × 10{sup 17} photons cm{sup –2}, extensive damage to the crystalline ice occurs and photo-produced CO molecules from deeper regions (Process II) are found to desorb at a rapidly increasing rate, which becomes two orders of magnitude greater than Process I. It is postulated that deep radiation damage to produce an extensive amorphous phase of CO{sub 2} occurs in the 50 nm ice film and that CO (and CO{sub 2}) diffusive transport is strongly enhanced in the amorphous phase. Photodesorption in Process II is a combination of electronic and thermally activated processes. Radiation damage in crystalline CO{sub 2} ice has been monitored by its effects on the vibrational line shapes of CO{sub 2}(ice). Here the crystalline-to-amorphous phase transition has been correlated with the occurrence of efficient molecular transport over long distances through the amorphous phase of CO{sub 2}(ice). Future studies of the composition of the interstellar region, generated by photodesorption from ice layers on grains, will have to consider the significant effects of radiation damage on photodesorption rates.

  9. Transitions of amorphous- crystalline-amorphous in bulk metallic glass under HP and HT

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    In-situ SR-XRD measurements revealed that the crystallization process in Zr41.2Ti13.sCu12.5Ni10Be22.5 bulk metallic glass is significantly different from that in traditional glasses. Subsequent heating at 10 GPa converts the sample from amorphous phase into the metastable fcc phase and then leads to the fcc phase back to the amorphous phase,nomena in the material under high pressure and high temperature.``

  10. Effect of Si additions on thermal stability and the phase transition sequence of sputtered amorphous alumina thin films

    Energy Technology Data Exchange (ETDEWEB)

    Bolvardi, H.; Baben, M. to; Nahif, F.; Music, D., E-mail: music@mch.rwth-aachen.de; Schnabel, V.; Shaha, K. P.; Mráz, S.; Schneider, J. M. [Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, D-52074 Aachen (Germany); Bednarcik, J.; Michalikova, J. [Deutsches Elektronen Synchrotron DESY, FS-PE group, Notkestrasse 85, D-22607 Hamburg (Germany)

    2015-01-14

    Si-alloyed amorphous alumina coatings having a silicon concentration of 0 to 2.7 at. % were deposited by combinatorial reactive pulsed DC magnetron sputtering of Al and Al-Si (90-10 at. %) split segments in Ar/O{sub 2} atmosphere. The effect of Si alloying on thermal stability of the as-deposited amorphous alumina thin films and the phase formation sequence was evaluated by using differential scanning calorimetry and X-ray diffraction. The thermal stability window of the amorphous phase containing 2.7 at. % of Si was increased by more than 100 °C compared to that of the unalloyed phase. A similar retarding effect of Si alloying was also observed for the α-Al{sub 2}O{sub 3} formation temperature, which increased by more than 120 °C. While for the latter retardation, the evidence for the presence of SiO{sub 2} at the grain boundaries was presented previously, this obviously cannot explain the stability enhancement reported here for the amorphous phase. Based on density functional theory molecular dynamics simulations and synchrotron X-ray diffraction experiments for amorphous Al{sub 2}O{sub 3} with and without Si incorporation, we suggest that the experimentally identified enhanced thermal stability of amorphous alumina with addition of Si is due to the formation of shorter and stronger Si–O bonds as compared to Al–O bonds.

  11. Development of empirical potentials for amorphous silica

    Energy Technology Data Exchange (ETDEWEB)

    Carre, A.

    2007-09-15

    Amorphous silica (SiO{sub 2}) is of great importance in geoscience and mineralogy as well as a raw material in glass industry. Its structure is characterized as a disordered continuous network of SiO{sub 4} tetrahedra. Many efforts have been undertaken to understand the microscopic properties of silica by classical molecular dynamics (MD) simulations. In this method the interatomic interactions are modeled by an effective potential that does not take explicitely into account the electronic degrees of freedom. In this work, we propose a new methodology to parameterize such a potential for silica using ab initio simulations, namely Car-Parrinello (CP) method [Phys. Rev. Lett. 55, 2471 (1985)]. The new potential proposed is compared to the BKS potential [Phys. Rev. Lett. 64, 1955 (1990)] that is considered as the benchmark potential for silica. First, CP simulations have been performed on a liquid silica sample at 3600 K. The structural features so obtained have been compared to the ones predicted by the classical BKS potential. Regarding the bond lengths the BKS tends to underestimate the Si-O bond whereas the Si-Si bond is overestimated. The inter-tetrahedral angular distribution functions are also not well described by the BKS potential. The corresponding mean value of the SiOSi angle is found to be {approx_equal} 147 , while the CP yields to a SiOSi angle centered around 135 . Our aim is to fit a classical Born-Mayer/Coulomb pair potential using ab initio calculations. To this end, we use the force-matching method proposed by Ercolessi and Adams [Europhys. Lett. 26, 583 (1994)]. The CP configurations and their corresponding interatomic forces have been considered for a least square fitting procedure. The classical MD simulations with the resulting potential have lead to a structure that is very different from the CP one. Therefore, a different fitting criterion based on the CP partial pair correlation functions was applied. Using this approach the resulting

  12. Ice flow Modelling of the Greenland Ice Sheet

    DEFF Research Database (Denmark)

    Nielsen, Lisbeth Tangaa

    simulations of the Greenland ice sheet using ice sheet models offers the possibility of deriving reconstructions of past ice sheet topography, flow and extent, consistent with the dynamics of ice flow and the imposed climate forcing. The large-scale response of the ice sheet modelled by such approaches can...... core derived temperature and precipitation histories have a long history of being used in studies of the past evolution of the Greenland ice sheet, acting as climatic forcing of the ice sheet models. However, the conversion from the isotopic records to past temperatures remain challenging, owing...... to both uncertain processes and depositional histories. Using five different temperature reconstructions derived from isotope records of Greenlandic ice cores, the influence of the paleo records on the simulated ice sheet was investigated using a high-resolution, large-scale ice sheet model (PISM...

  13. On the gas-ice depth difference (Δdepth along the EPICA Dome C ice core

    Directory of Open Access Journals (Sweden)

    J. Schwander

    2012-04-01

    Full Text Available We compare a variety of methods for estimating the gas/ice depth offset (Δdepth at EPICA Dome C (EDC, East Antarctica. (1 Purely based on modelling efforts, Δdepth can be estimated combining a firn densification with an ice flow model. Observations allow direct and indirect estimate of Δdepth. (2 The diffusive column height can be estimated from δ15N and converted to Δdepth using an ice flow model and assumptions about past average firn density and thickness of the convective zone. (3 Ice and gas synchronisation of the EDC ice core to the GRIP, EDML and TALDICE ice cores shifts the ice/gas offset problem into higher accumulation ice cores where it can be more accurately evaluated. (4 Finally, the bipolar seesaw hypothesis allows us to synchronise the ice isotopic record with the gas CH4 record, the later being taken as a proxy of Greenland temperature. The bipolar seesaw antiphase relationship is generally supported by the ice-gas cross synchronisation between EDC and the GRIP, EDML and TALDICE ice cores, which provide support for method 4. Applying the bipolar seesaw hypothesis to the deeper section of the EDC core confirms that the ice flow is complex and can help improving our reconstruction of the thinning function and thus of the EDC age scale. We confirm that method 1 overestimates the glacial Δdepth at EDC and we suggested that it is due to an overestimation of the glacial Close Off Depth by the firn densification model. In contrast we find that the glaciological models probably underestimate the Δdepth during termination II. Finally, we show that method 2 based on 15N data produces for the last deglaciation a Δdepth estimate which is in good agreement with methods 3 and 4.

  14. Vacuum-UV spectroscopy of interstellar ice analogs. II. Absorption cross-sections of nonpolar ice molecules

    Science.gov (United States)

    Cruz-Diaz, G. A.; Muñoz Caro, G. M.; Chen, Y.-J.; Yih, T.-S.

    2014-02-01

    Context. Dust grains in cold circumstellar regions and dark-cloud interiors at 10-20 K are covered by ice mantles. A nonthermal desorption mechanism is invoked to explain the presence of gas-phase molecules in these environments, such as the photodesorption induced by irradiation of ice due to secondary ultraviolet photons. To quantify the effects of ice photoprocessing, an estimate of the photon absorption in ice mantles is required. In a recent work, we reported the vacuum-ultraviolet (VUV) absorption cross sections of nonpolar molecules in the solid phase. Aims: The aim was to estimate the VUV-absorption cross sections of nonpolar molecular ice components, including CH4, CO2, N2, and O2. Methods: The column densities of the ice samples deposited at 8 K were measured in situ by infrared spectroscopy in transmittance. VUV spectra of the ice samples were collected in the 120-160 nm (10.33-7.74 eV) range using a commercial microwave-discharged hydrogen flow lamp. Results: We found that, as expected, solid N2 has the lowest VUV-absorption cross section, which about three orders of magnitude lower than that of other species such as O2, which is also homonuclear. Methane (CH4) ice presents a high absorption near Ly-α (121.6 nm) and does not absorb below 148 nm. Estimating the ice absorption cross sections is essential for models of ice photoprocessing and allows estimating the ice photodesorption rates as the number of photodesorbed molecules per absorbed photon in the ice. Data can be found at http://ghosst.osug.fr/

  15. Electron emission degradation of nano-structured sp2-bonded amorphous carbon films

    Institute of Scientific and Technical Information of China (English)

    Lu Zhan-Ling; Wang Chang-Qing; Jia Yu; Zhang Bing-Lin; Yao Ning

    2007-01-01

    The initial field electron emission degradation behaviour of original nano-structured sp2-bonded amorphous carbon films has been observed.which can be attributed to the increase of the work function of the film in the field emission process analysed using a Fowler-Nordheim plot.The possible re.on for the change of work function is suggested to be the desorption of hydrogen from the original hydrogen termination film surface due to field emission current-induced local heating.For the explanation of the emission degradation behaviour of the nano-structured sp2-bonded amorphous carbon film,a cluster model with a series of graphite(0001) basal surfaces has been presented,and the theoretical calculations have been performed to investigate work functions of graphite(0001) surfaces with different hydrogen atom and ion chemisorption sites by using first principles method based on density functional theory-local density approximation.

  16. Growth of GaAs “nano ice cream cones” by dual wavelength pulsed laser ablation

    Science.gov (United States)

    Schamp, C. T.; Jesser, W. A.; Shivaram, B. S.

    2007-05-01

    Harmonic generation crystals inherently offer the possibility of using multiple wavelengths of light in a single laser pulse. In the present experiment, the fundamental (1064 nm) and second harmonic (532 nm) wavelengths from an Nd:YAG laser are focused together on GaAs and GaSb targets for ablation. Incident energy densities up to about 45 J/cm 2 at 10 Hz with substrate temperatures between 25 and 600 °C for durations of about 60 s have been used in an ambient gas pressure of about 10 -6 Torr. The ablated material was collected on electron-transparent amorphous carbon films for TEM analysis. Apart from a high density of isolated nanocrystals, the most common morphology observed consists of a crystalline GaAs cone-like structure in contact with a sphere of liquid Ga, resembling an "ice cream cone", typically 50-100 nm in length. For all of the heterostuctures of this type, the liquid/solid/vacuum triple junction is found to correspond to the widest point on the cone. These heterostructures likely form by preferential evaporation of As from molten GaAs drops ablated from the target. The resulting morphology minimizes the interfacial and surface energies of the liquid Ga and solid GaAs.

  17. Parameterisation of sea and lake ice in numerical weather prediction models of the German Weather Service

    Directory of Open Access Journals (Sweden)

    Dmitrii Mironov

    2012-04-01

    surface albedo with respect to solar radiation. Considering the crucial importance of the surface radiation budget, future efforts should go into the development of a refined formulation of the grid-box mean surface albedo, including the albedo of ice itself and the fractional ice cover. NWP models may also benefit from an explicit treatment of snow above the ice. As the results from single-column experiments suggest, a bulk snow parameterisation holds promise but improved formulations of the snow density and the snow temperature conductivity are required.

  18. The seeding of ice algal blooms in Arctic pack ice: The multiyear ice seed repository hypothesis

    Science.gov (United States)

    Olsen, Lasse M.; Laney, Samuel R.; Duarte, Pedro; Kauko, Hanna M.; Fernández-Méndez, Mar; Mundy, Christopher J.; Rösel, Anja; Meyer, Amelie; Itkin, Polona; Cohen, Lana; Peeken, Ilka; Tatarek, Agnieszka; Róźańska-Pluta, Magdalena; Wiktor, Józef; Taskjelle, Torbjørn; Pavlov, Alexey K.; Hudson, Stephen R.; Granskog, Mats A.; Hop, Haakon; Assmy, Philipp

    2017-07-01

    During the Norwegian young sea ICE expedition (N-ICE2015) from January to June 2015 the pack ice in the Arctic Ocean north of Svalbard was studied during four drifts between 83° and 80°N. This pack ice consisted of a mix of second year, first year, and young ice. The physical properties and ice algal community composition was investigated in the three different ice types during the winter-spring-summer transition. Our results indicate that algae remaining in sea ice that survived the summer melt season are subsequently trapped in the upper layers of the ice column during winter and may function as an algal seed repository. Once the connectivity in the entire ice column is established, as a result of temperature-driven increase in ice porosity during spring, algae in the upper parts of the ice are able to migrate toward the bottom and initiate the ice algal spring bloom. Furthermore, this algal repository might seed the bloom in younger ice formed in adjacent leads. This mechanism was studied in detail for the dominant ice diatom Nitzschia frigida. The proposed seeding mechanism may be compromised due to the disappearance of older ice in the anticipated regime shift toward a seasonally ice-free Arctic Ocean.

  19. A new method for measuring ice adhesion strength at an ice-substrate interface

    Science.gov (United States)

    Javan-Mashmool, M.; Volat, C.; Farzaneh, M.

    2006-03-01

    This research focuses on the development of a direct technique for measuring atmospheric ice adhesion strength using embedded piezoelectric film sensors at the ice-substrate interface. The substrate is a small aluminium beam on which PVDF piezoelectric sensors are bonded. The composite beam formed by aluminium and an ice layer is submitted to sinusoidal stress at the interface by a shaker on which one end of the beam is clamped. The piezoelectric charge coefficient is used to predict the electric charge density induced on the piezoelectric film, which enables us to develop a macroscopic and direct measurement technique for determining mechanical stresses at the atmospheric-ice-substrate interface. The preliminary results obtained show that adhesive failure was obtained for each test for a frequency close to the natural resonance frequency of the aluminium beam. Within the limitations of the experimental conditions, it was possible using this approach to obtain ice adhesion strengths in accordance with those obtained in the literature. This demonstrates the feasibility of this simple ice adhesion testing method.

  20. 趣话ice

    Institute of Scientific and Technical Information of China (English)

    刘奉越

    2002-01-01

    在英语中,ice是一个很普通的词,它的基本含义是“冰,冰块”。如:The sportsman slipped on the ice and one of his legs was broken.(这个运动员在冰上滑倒了,一条腿摔断了。)它还可指“冰淇淋”,相当于ice cream。如.After having two ices I felt uncomfortable.

  1. Stripping with dry ice

    Science.gov (United States)

    Malavallon, Olivier

    1995-04-01

    Mechanical-type stripping using dry ice (solid CO2) consists in blasting particles of dry ice onto the painted surface. This surface can be used alone or in duplex according to type of substrate to be treated. According to operating conditions, three physical mechanisms may be involved when blasting dry ice particles onto a paint system: thermal shock, differential thermal contraction, and mechanical shock. The blast nozzle, nozzle travel speed, blast angle, stripping distance, and compressed air pressure and media flow rate influence the stripping quality and the uniformity and efficiency obtained.

  2. Initial Cooling Experiment (ICE)

    CERN Multimedia

    Photographic Service

    1978-01-01

    In 1977, in a record-time of 9 months, the magnets of the g-2 experiment were modified and used to build a proton/antiproton storage ring: the "Initial Cooling Experiment" (ICE). It served for the verification of the cooling methods to be used for the "Antiproton Project". Stochastic cooling was proven the same year, electron cooling followed later. Also, with ICE the experimental lower limit for the antiproton lifetime was raised by 9 orders of magnitude: from 2 microseconds to 32 hours. For its previous life as g-2 storage ring, see 7405430. More on ICE: 7711282, 7809081, 7908242.

  3. Ice nucleation terminology

    Directory of Open Access Journals (Sweden)

    G. Vali

    2014-08-01

    Full Text Available Progress in the understanding of ice nucleation is being hampered by the lack of uniformity in how some terms are used in the literature. This even extends to some ambiguity of meanings attached to some terms. Suggestions are put forward here for common use of terms. Some are already well established and clear of ambiguities. Others are less engrained and will need a conscious effort in adoption. Evolution in the range of systems where ice nucleation is being studied enhances the need for a clear nomenclature. The ultimate limit in the clarity of definitions is, of course, the limited degree to which ice nucleation processes are understood.

  4. Impacts of warm water on Antarctic ice shelf stability through basal channel formation

    Science.gov (United States)

    Alley, Karen E.; Scambos, Ted A.; Siegfried, Matthew R.; Fricker, Helen Amanda

    2016-04-01

    Antarctica's ice shelves provide resistance to the flow of grounded ice towards the ocean. If this resistance is decreased as a result of ice shelf thinning or disintegration, acceleration of grounded ice can occur, increasing rates of sea-level rise. Loss of ice shelf mass is accelerating, especially in West Antarctica, where warm seawater is reaching ocean cavities beneath ice shelves. Here we use satellite imagery, airborne ice-penetrating radar and satellite laser altimetry spanning the period from 2002 to 2014 to map extensive basal channels in the ice shelves surrounding Antarctica. The highest density of basal channels is found in West Antarctic ice shelves. Within the channels, warm water flows northwards, eroding the ice shelf base and driving channel evolution on annual to decadal timescales. Our observations show that basal channels are associated with the development of new zones of crevassing, suggesting that these channels may cause ice fracture. We conclude that basal channels can form and grow quickly as a result of warm ocean water intrusion, and that they can structurally weaken ice shelves, potentially leading to rapid ice shelf loss in some areas.

  5. Vortex ice in nanostructured superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Reichhardt, Charles [Los Alamos National Laboratory; Reichhardt, Cynthia J [Los Alamos National Laboratory; Libal, Andras J [Los Alamos National Laboratory

    2008-01-01

    We demonstrate using numerical simulations of nanostructured superconductors that it is possible to realize vortex ice states that are analogous to square and kagome ice. The system can be brought into a state that obeys either global or local ice rules by applying an external current according to an annealing protocol. We explore the breakdown of the ice rules due to disorder in the nanostructure array and show that in square ice, topological defects appear along grain boundaries, while in kagome ice, individual defects appear. We argue that the vortex system offers significant advantages over other artificial ice systems.

  6. Silicon nanocrystals on amorphous silicon carbide alloy thin films: Control of film properties and nanocrystals growth

    Energy Technology Data Exchange (ETDEWEB)

    Barbe, Jeremy, E-mail: jeremy.barbe@hotmail.com [CEA, Liten, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Universite de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d' Energie), 118 route de Narbonne, 31062 Toulouse (France); Xie, Ling; Leifer, Klaus [Department of Engineering Sciences, Uppsala University, Box 534, S-751 21 Uppsala (Sweden); Faucherand, Pascal; Morin, Christine; Rapisarda, Dario; De Vito, Eric [CEA, Liten, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Makasheva, Kremena; Despax, Bernard [Universite de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d' Energie), 118 route de Narbonne, 31062 Toulouse (France); CNRS, LAPLACE, F-31062 Toulouse (France); Perraud, Simon [CEA, Liten, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France)

    2012-11-01

    The present study demonstrates the growth of silicon nanocrystals on amorphous silicon carbide alloy thin films. Amorphous silicon carbide films [a-Si{sub 1-x}C{sub x}:H (with x < 0.3)] were obtained by plasma enhanced chemical vapor deposition from a mixture of silane and methane diluted in hydrogen. The effect of varying the precursor gas-flow ratio on the film properties was investigated. In particular, a wide optical band gap (2.3 eV) was reached by using a high methane-to-silane flow ratio during the deposition of the a-Si{sub 1-x}C{sub x}:H layer. The effect of short-time annealing at 700 Degree-Sign C on the composition and properties of the layer was studied by X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. It was observed that the silicon-to-carbon ratio in the layer remains unchanged after short-time annealing, but the reorganization of the film due to a large dehydrogenation leads to a higher density of SiC bonds. Moreover, the film remains amorphous after the performed short-time annealing. In a second part, it was shown that a high density (1 Multiplication-Sign 10{sup 12} cm{sup -2}) of silicon nanocrystals can be grown by low pressure chemical vapor deposition on a-Si{sub 0.8}C{sub 0.2} surfaces at 700 Degree-Sign C, from silane diluted in hydrogen. The influence of growth time and silane partial pressure on nanocrystals size and density was studied. It was also found that amorphous silicon carbide surfaces enhance silicon nanocrystal nucleation with respect to SiO{sub 2}, due to the differences in surface chemical properties. - Highlights: Black-Right-Pointing-Pointer Silicon nanocrystals (Si-NC) growth on amorphous silicon carbide alloy thin films Black-Right-Pointing-Pointer Plasma deposited amorphous silicon carbide films with well-controlled properties Black-Right-Pointing-Pointer Study on the thermal effect of 700 Degree-Sign C short-time annealing on the layer properties Black-Right-Pointing-Pointer Low pressure

  7. Slush Fund: Modeling the Multiphase Physics of Oceanic Ices

    Science.gov (United States)

    Buffo, J.; Schmidt, B. E.

    2016-12-01

    The prevalence of ice interacting with an ocean, both on Earth and throughout the solar system, and its crucial role as the mediator of exchange between the hydrosphere below and atmosphere above, have made quantifying the thermodynamic, chemical, and physical properties of the ice highly desirable. While direct observations of these quantities exist, their scarcity increases with the difficulty of obtainment; the basal surfaces of terrestrial ice shelves remain largely unexplored and the icy interiors of moons like Europa and Enceladus have never been directly observed. Our understanding of these entities thus relies on numerical simulation, and the efficacy of their incorporation into larger systems models is dependent on the accuracy of these initial simulations. One characteristic of seawater, likely shared by the oceans of icy moons, is that it is a solution. As such, when it is frozen a majority of the solute is rejected from the forming ice, concentrating in interstitial pockets and channels, producing a two-component reactive porous media known as a mushy layer. The multiphase nature of this layer affects the evolution and dynamics of the overlying ice mass. Additionally ice can form in the water column and accrete onto the basal surface of these ice masses via buoyancy driven sedimentation as frazil or platelet ice. Numerical models hoping to accurately represent ice-ocean interactions should include the multiphase behavior of these two phenomena. While models of sea ice have begun to incorporate multiphase physics into their capabilities, no models of ice shelves/shells explicitly account for the two-phase behavior of the ice-ocean interface. Here we present a 1D multiphase model of floating oceanic ice that includes parameterizations of both density driven advection within the `mushy layer' and buoyancy driven sedimentation. The model is validated against contemporary sea ice models and observational data. Environmental stresses such as supercooling and

  8. The 'Ice Hill': An example of 'retarded deglaciation' in siberia

    Science.gov (United States)

    Astakhov, Valery I.; Isayeva, Lia L.

    The geological structure of one of the southernmost sites of thick ice beds in the Yenisei valley near the Arctic Circle is discussed. The erosion contacts of the foliated and contorted ice, abundance of glacial debris and the position between the basal till and ablation cover indicate a glacial origin for the ice layer. The ice occurs in the cores of arcuate accretion ridges built of ablation materials. The overlying sequence consists of a series of diamicton flows alternating with lacustrine and outwash sediments. Laterally the ice-rock complex changes into thick lacustrine rhythmites underlain by basal tills. The ice-containing hummocky terrain is often lower than the adjacent lacustrine plain. Therefore inversion of ice-controlled topography is suggested. Several stages of glaciokarst development are supposed to have occurred after an eastward moving ice lobe stagnated more than 50 ka BP. The main depositional events are associated with the Middle Weichselian draining of ice-dammed Lake Igarka, and with Early Holocene topographic inversion. The Holocene warming apparently caused diapiric deformation of the buried ice probably because of the density and thickness differences between the ice and the overburden. The long history of burial and preservation of the remnants of basal glacier ice was controlled by Pleistocene permafrost. Landscape evolution in Northern Siberia is governed by such 'retarded deglaciation', in contrast with Atlantic environments. The thick ablation sequence may be described in terms of a Spitsbergen model, but the Siberian basal tills, because of their position within the permafrost, must be regarded as exfoliated layers of debris-rich ice according to Shantzer-Lavrushin's model. The occurrence of buried glacier ice and the mode of distribution of the permafrost shows the relict nature of the latter. In areas of modern and former retarded deglaciation intermittent diamicton flows are supposed to mark episodes of climatic amelioration like

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

    KAUST Repository

    Liu, Hongyi

    2012-02-09

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

  10. Charge deep-level transient spectroscopy study of high-energy-electron-beam-irradiated hydrogenated amorphous silicon

    NARCIS (Netherlands)

    Klaver, A.; Nádaždy, V.; Zeman, M.; Swaaiij, R.A.C.M.M.

    2006-01-01

    We present a study of changes in the defect density of states in hydrogenated amorphous silicon (a-Si:H) due to high-energy electron irradiation using charged deep-level transient spectroscopy. It was found that defect states near the conduction band were removed, while in other band gap regions the

  11. The Antartic Ice Borehole Probe

    Science.gov (United States)

    Behar, A.; Carsey, F.; Lane, A.; Engelhardt, H.

    2000-01-01

    The Antartic Ice Borehole Probe mission is a glaciological investigation, scheduled for November 2000-2001, that will place a probe in a hot-water drilled hole in the West Antartic ice sheet. The objectives of the probe are to observe ice-bed interactions with a downward looking camera, and ice inclusions and structure, including hypothesized ice accretion, with a side-looking camera.

  12. Ice Engineering Research Area

    Data.gov (United States)

    Federal Laboratory Consortium — Refrigerated Physical Modeling of Waterways in a Controlled EnvironmentThe Research Area in the Ice Engineering Facility at the Cold Regions Research and Engineering...

  13. Ice Cream Stick Math.

    Science.gov (United States)

    Paddock, Cynthia

    1992-01-01

    Described is a teaching technique which uses the collection of ice cream sticks as a means of increasing awareness of quantity in a self-contained elementary special class for students with learning disabilities and mild mental retardation. (DB)

  14. Melting ice, growing trade?

    National Research Council Canada - National Science Library

    Sami Bensassi; Julienne C. Stroeve; Inmaculada Martínez-Zarzoso; Andrew P. Barrett

    2016-01-01

    Abstract Large reductions in Arctic sea ice, most notably in summer, coupled with growing interest in Arctic shipping and resource exploitation have renewed interest in the economic potential of the Northern Sea Route (NSR...

  15. Ice Cream Stick Math.

    Science.gov (United States)

    Paddock, Cynthia

    1992-01-01

    Described is a teaching technique which uses the collection of ice cream sticks as a means of increasing awareness of quantity in a self-contained elementary special class for students with learning disabilities and mild mental retardation. (DB)

  16. Web life: Ice Flows

    Science.gov (United States)

    2016-11-01

    Computer and video gamers of a certain vintage will have fond memories of Lemmings, a game in which players must shepherd pixelated, suicidal rodents around a series of obstacles to reach safety. At first glance, Ice Flows is strikingly similar.

  17. Innovative Control Effectors (ICE)

    Science.gov (United States)

    1996-01-01

    including weight, maneuver performance, signa- ture, hydraulic requirements, demands on the flight control system (FCS) design, and car - rier (CV...applicable to the car - rier-based configurations. Figure 7-36 summarizes an assessment of the ICE series 101 configuration control allocation evaluation. ICE...plain leading edge flaps, all moving horizontal tails, rudder, two airbrakes under fuselage F-15C inner trailing edge plain flap, outer aileron, all

  18. Low-energy electron irradiation induced top-surface nanocrystallization of amorphous carbon film

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Cheng [Institute of Nanosurface Science and Engineering (INSE), Shenzhen University, Shenzhen 518060 (China); Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province, College of Optoelectronic Engineering, Shenzhen University, Shenzhen 518060 (China); Fan, Xue, E-mail: fanx@szu.edu.cn [Institute of Nanosurface Science and Engineering (INSE), Shenzhen University, Shenzhen 518060 (China); Diao, Dongfeng, E-mail: dfdiao@szu.edu.cn [Institute of Nanosurface Science and Engineering (INSE), Shenzhen University, Shenzhen 518060 (China)

    2016-10-30

    Graphical abstract: Low-energy electron irradiation was proposed to nanocrystallize the top-surface of the as-deposited amorphous carbon film, and sp{sup 2} nanocrystallites formed in the film top-surface within 4 nm thickness. Display Omitted - Abstract: We report a low-energy electron irradiation method to nanocrystallize the top-surface of amorphous carbon film in electron cyclotron resonance plasma system. The nanostructure evolution of the carbon film as a function of electron irradiation density and time was examined by transmission electron microscope (TEM) and Raman spectroscopy. The results showed that the electron irradiation gave rise to the formation of sp{sup 2} nanocrystallites in the film top-surface within 4 nm thickness. The formation of sp{sup 2} nanocrystallite was ascribed to the inelastic electron scattering in the top-surface of carbon film. The frictional property of low-energy electron irradiated film was measured by a pin-on-disk tribometer. The sp{sup 2} nanocrystallized top-surface induced a lower friction coefficient than that of the original pure amorphous film. This method enables a convenient nanocrystallization of amorphous surface.

  19. Applications in the Nuclear Industry for Corrosion-Resistant Amorphous-Metal Thermal-Spray Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, J; Choi, J

    2007-07-18

    Amorphous metal and ceramic thermal spray coatings have been developed that can be used to enhance the corrosion resistance of containers for the transportation, aging and disposal of spent nuclear fuel and high-level radioactive wastes. Fe-based amorphous metal formulations with chromium, molybdenum and tungsten have shown the corrosion resistance believed to be necessary for such applications. Rare earth additions enable very low critical cooling rates to be achieved. The boron content of these materials, and their stability at high neutron doses, enable them to serve as high efficiency neutron absorbers for criticality control. Ceramic coatings may provide even greater corrosion resistance for container applications, though the boron-containing amorphous metals are still favored for criticality control applications. These amorphous metal and ceramic materials have been produced as gas atomized powders and applied as near full density, non-porous coatings with the high-velocity oxy-fuel process. This paper summarizes the performance of these coatings as corrosion-resistant barriers, and as neutron absorbers. Relevant corrosion models are also discussed, as well as a cost model to quantify the economic benefits possible with these new materials.

  20. Photo-excited hot carrier dynamics in hydrogenated amorphous silicon imaged by 4D electron microscopy

    Science.gov (United States)

    Liao, Bolin; Najafi, Ebrahim; Li, Heng; Minnich, Austin J.; Zewail, Ahmed H.

    2017-09-01

    Charge carrier dynamics in amorphous semiconductors has been a topic of intense research that has been propelled by modern applications in thin-film solar cells, transistors and optical sensors. Charge transport in these materials differs fundamentally from that in crystalline semiconductors owing to the lack of long-range order and high defect density. Despite the existence of well-established experimental techniques such as photoconductivity time-of-flight and ultrafast optical measurements, many aspects of the dynamics of photo-excited charge carriers in amorphous semiconductors remain poorly understood. Here, we demonstrate direct imaging of carrier dynamics in space and time after photo-excitation in hydrogenated amorphous silicon (a-Si:H) by scanning ultrafast electron microscopy (SUEM). We observe an unexpected regime of fast diffusion immediately after photoexcitation, together with spontaneous electron-hole separation and charge trapping induced by the atomic disorder. Our findings demonstrate the rich dynamics of hot carrier transport in amorphous semiconductors that can be revealed by direct imaging based on SUEM.

  1. Advances in Understanding the Role of Aerosols on Ice Clouds from the Fifth International Ice Nucleation (FIN) Workshops

    Science.gov (United States)

    Cziczo, D. J.; Moehler, O.; DeMott, P. J.

    2015-12-01

    The relationship of ambient aerosol particles to the formation of ice-containing clouds is one of the largest uncertainties in understanding climate. This is due to several poorly understood processes including the microphysics of how particles nucleate ice, the number of effective heterogeneous ice nuclei and their atmospheric distribution, the role of anthropogenic activities in producing or changing the behavior of ice forming particles and the interplay between effective heterogeneous ice nuclei and homogeneous ice formation. Our team recently completed a three-part international workshop to improve our understanding of atmospheric ice formation. Termed the Fifth International Ice Nucleation (FIN) Workshops, our motivation was the limited number of measurements and a lack of understanding of how to compare data acquired by different groups. The first activity, termed FIN1, addressed the characterization of ice nucleating particle size, number and chemical composition. FIN2 addressed the determination of ice nucleating particle number density. Groups modeling ice nucleation joined FIN2 to provide insight on measurements critically needed to model atmospheric ice nucleation and to understand the performance of ice chambers. FIN1 and FIN2 took place at the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) chamber at the Karlsruhe Institute of Technology. A particular emphasis of FIN1 and FIN2 was the use of 'blind' intercomparisons using a highly characterized, but unknown to the instrument operators, aerosol sample. The third activity, FIN3, took place at the Desert Research Institute's Storm Peak Laboratory (SPL). A high elevation site not subject to local emissions, SPL allowed for a comparison of ice chambers and subsequent analysis of the ice residuals under the challenging conditions of low particle loading, temperature and pressure found in the atmosphere. The presentation focuses on the improvement in understanding how mass spectra from different

  2. Ice slurry accumulation

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, K.G.; Kauffeld, M.

    1998-06-01

    More and more refrigeration systems are designed with secondary loops, thus reducing the refrigerant charge of the primary refrigeration plant. In order not to increase energy consumption by introducing a secondary refrigerant, alternatives to the well established single phase coolants (brines) and different concepts of the cooling plant have to be evaluated. Combining the use of ice-slurry - mixture of water, a freezing point depressing agent (antifreeze) and ice particles - as melting secondary refrigerant and the use of a cool storage makes it possible to build plants with secondary loops without increasing the energy consumption and investment. At the same time the operating costs can be kept at a lower level. The accumulation of ice-slurry is compared with other and more traditional storage systems. The method is evaluated and the potential in different applications is estimated. Aspects of practically use of ice-slurry has been examined in the laboratory at the Danish Technological Institute (DTI). This paper will include the final conclusions from this work concerning tank construction, agitator system, inlet, outlet and control. The work at DTI indicates that in some applications systems with ice-slurry and accumulation tanks have a great future. These applications are described by a varying load profile and a process temperature suiting the temperature of ice-slurry (-3 - -8/deg. C). (au)

  3. Layered kagome spin ice

    Science.gov (United States)

    Hamp, James; Dutton, Sian; Mourigal, Martin; Mukherjee, Paromita; Paddison, Joseph; Ong, Harapan; Castelnovo, Claudio

    Spin ice materials provide a rare instance of emergent gauge symmetry and fractionalisation in three dimensions: the effective degrees of freedom of the system are emergent magnetic monopoles, and the extensively many `ice rule' ground states are those devoid of monopole excitations. Two-dimensional (kagome) analogues of spin ice have also been shown to display a similarly rich behaviour. In kagome ice however the ground-state `ice rule' condition implies the presence everywhere of magnetic charges. As temperature is lowered, an Ising transition occurs to a charge-ordered state, which can be mapped to a dimer covering of the dual honeycomb lattice. A second transition, of Kosterlitz-Thouless or three-state Potts type, occurs to a spin-ordered state at yet lower temperatures, due to small residual energy differences between charge-ordered states. Inspired by recent experimental capabilities in growing spin ice samples with selective (layered) substitution of non-magnetic ions, in this work we investigate the fate of the two ordering transitions when individual kagome layers are brought together to form a three-dimensional pyrochlore structure coupled by long range dipolar interactions. We also consider the response to substitutional disorder and applied magnetic fields.

  4. Modelling sea ice dynamics

    Science.gov (United States)

    Murawski, Jens; Kleine, Eckhard

    2017-04-01

    Sea ice remains one of the frontiers of ocean modelling and is of vital importance for the correct forecasts of the northern oceans. At large scale, it is commonly considered a continuous medium whose dynamics is modelled in terms of continuum mechanics. Its specifics are a matter of constitutive behaviour which may be characterised as rigid-plastic. The new developed sea ice dynamic module bases on general principles and follows a systematic approach to the problem. Both drift field and stress field are modelled by a variational property. Rigidity is treated by Lagrangian relaxation. Thus one is led to a sensible numerical method. Modelling fast ice remains to be a challenge. It is understood that ridging and the formation of grounded ice keels plays a role in the process. The ice dynamic model includes a parameterisation of the stress associated with grounded ice keels. Shear against the grounded bottom contact might lead to plastic deformation and the loss of integrity. The numerical scheme involves a potentially large system of linear equations which is solved by pre-conditioned iteration. The entire algorithm consists of several components which result from decomposing the problem. The algorithm has been implemented and tested in practice.

  5. Ice recrystallization inhibition in ice cream by propylene glycol monostearate.

    Science.gov (United States)

    Aleong, J M; Frochot, S; Goff, H D

    2008-11-01

    The effectiveness of propylene glycol monostearate (PGMS) to inhibit ice recrystallization was evaluated in ice cream and frozen sucrose solutions. PGMS (0.3%) dramatically reduced ice crystal sizes in ice cream and in sucrose solutions frozen in a scraped-surface freezer before and after heat shock, but had no effect in quiescently frozen solutions. PGMS showed limited emulsifier properties by promoting smaller fat globule size distributions and enhanced partial coalescence in the mix and ice cream, respectively, but at a much lower level compared to conventional ice cream emulsifier. Low temperature scanning electron microscopy revealed highly irregular crystal morphology in both ice cream and sucrose solutions frozen in a scraped-surface freezer. There was strong evidence to suggest that PGMS directly interacts with ice crystals and interferes with normal surface propagation. Shear during freezing may be required for its distribution around the ice and sufficient surface coverage.

  6. Infrared Spectra and Optical Constants of Nitrile Ices Relevant to Titan's Atmosphere

    Science.gov (United States)

    Anderson, Carrie; Ferrante, Robert F.; Moore, W. James; Hudson, Reggie; Moore, Marla H.

    2011-01-01

    Spectra and optical constants of nitrile ices known or suspected to be in Titan?s atmosphere have been determined from 2.0 to 333.3 microns (approx.5000 to 30/cm). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan?s winter pole. Ices studied were: HCN, hydrogen cyanide; C2N2, cyanogen; CH3CN, acetonitrile; C2H5CN, propionitrile; and HC3N, cyanoacetylene. Optical constants were calculated, using Kramers-Kronig analysis, for each nitrile ice?s spectrum measured at a variety of temperatures, in both the amorphous- and crystalline phases. Spectra were also measured for many of the nitriles after quenching at the annealing temperature and compared with those of annealed ices. For each of these molecules we also measured the real component, n, of the refractive index for amorphous and crystalline phases at 670 nm. Several examples of the information contained in these new data sets and their usefulness in modeling Titan?s observed features will be presented (e.g., the broad emission feature at 160/cm; Anderson and Samuelson, 2011).

  7. Electronic transport in amorphous phase-change materials

    Energy Technology Data Exchange (ETDEWEB)

    Luckas, Jennifer Maria

    2012-09-14

    Phase change materials combine a pronounced contrast in resistivity and reflectivity between their disordered amorphous and ordered crystalline state with very fast crystallization kinetics. Due to this exceptional combination of properties phase-change materials find broad application in non-volatile optical memories such as CD, DVD or Bluray Disc. Furthermore, this class of materials demonstrates remarkable electrical transport phenomena in their disordered state, which have shown to be crucial for their application in electronic storage devices. The threshold switching phenomenon denotes the sudden decrease in resistivity beyond a critical electrical threshold field. The threshold switching phenomenon facilitates the phase transitions at practical small voltages. Below this threshold the amorphous state resistivity is thermally activated and is observed to increase with time. This effect known as resistance drift seriously hampers the development of multi-level storage devices. Hence, understanding the physical origins of threshold switching and resistance drift phenomena is crucial to improve non-volatile phase-change memories. Even though both phenomena are often attributed to localized defect states in the band gap, the defect state density in amorphous phase-change materials has remained poorly studied. Starting from a brief introduction of the physics of phase-change materials this thesis summarizes the most important models behind electrical switching and resistance drift with the aim to discuss the role of localized defect states. The centerpiece of this thesis is the investigation of defects state densities in different amorphous phase-change materials and electrical switching chalcogenides. On the basis of Modulated Photo Current (MPC) Experiments and Photothermal Deflection Spectroscopy, a sophisticated band model for the disordered phase of the binary phase-change alloy GeTe has been developed. By this direct experimental approach the band-model for a

  8. Water Ice and Life's Roots in Space

    Science.gov (United States)

    Blake, David; Jenniskens, Peter; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    Nearly three decades ago as Voyager 2 spacecraft raced out of the Solar System. NASA engineers turned its camera arm around (at the request of the American astronomer Carl Sagan) to take a parting snapshot of Earth. Earth's image was a single pale blue pixel, its color caused by the Rayleigh scattering of sunlight in the water of our oceans. Earth is a water planet, and this is the color of life. No matter how far we travel on our planet, no matter how high or deep, if we find liquid water, we find some form of life that manages to survive there. And yet there is a cruel irony. Water in its solid crystalline form is hostile to life. Organisms can roost in geysers, wallow in brine and gulp down acid, but they cowered from ice. The rigid ordering of water molecules in ice crystals expels impurities and tears organic tissue beyond repair. In fact, about the only good thing you can say about ice is that it gets out of the way: Its low density ensures that it floats and leaves the water dwelling creatures in peace. Recent discoveries have caused us to rethink this basic premise. New lines of evidence both observational and experimental - suggest that prebiotic organic compounds are not only comfortable in, but in fact had their origin in a peculiar form of solid water ice that is ubiquitous in interstellar space, but completely absent from Earth. Only recently have we been able to create even submicroscopic quantities of this ice in terrestrial laboratories, yet it constitutes the most abundant form of water in the universe. Interstellar ice is a far cry from the ice we are so familiar with on Earth. This interstellar ice has no crystalline structure, and despite the fact that its temperature is a scant few degrees above absolute zero (where all molecular motion ceases), it is highly reactive and can flow like water when exposed to radiation. It is in fact this ice's similarity to liquid water that allows it to participate in the creation of the very first organic

  9. Role of Amorphous Manganese Oxide in Nitrogen Loss

    Institute of Scientific and Technical Information of China (English)

    LILIANG-MO; WUQI-TU

    1991-01-01

    Studies have been made,by 15N-tracer technique on nitrogen loss resulting from adding amorphous manganese oxide to NH4+-N medium under anaerobic conditions.The fact that the total nitrogen recovery was decreased and that 15NO2,15N2O,15N14NO,15NO,15N2 and 15N14N were emitted has proved that,like amorphous iron oxide,amorphous manganese oxide can also act as an electron acceptor in the oxidation of NH4+-N under anaerobic conditions and give rise to nitrogen loss.This once again illustrates another mechanism by which the loss of ammonium nitrogen in paddy soils is brought about by amorphous iron and manganese oxides.The quantity of nitrogen loss by amorphous manganese oxide increased with an increase in the amount of amorphous manganese oxide added and lessened with time of its aging.The nitrogen loss resulting from amorphous manganese oxide was less than that from amorphous iron oxide.And the nitrogen loss resulting from amorphous manganese oxide was less than that from amorphous iron oxide.And the nitrogen loss by cooperation of amorphous manganese oxide and microorganisms (soil suspension) was larger than that by amorphous manganese oxide alone.In the system,nitrogen loss was associated with the specific surface ares and oxidation-reduction of amorphous manganese oxide.However,their quantitative relationship and the exact reaction processes of nitrogen loss induced by amorphous manganese oxide remain to be further studied.

  10. From Interstellar PAHs and Ices to the Origin of Life

    Science.gov (United States)

    Allamandola, Louis J.; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to micron-sized cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In dense molecular clouds, the birthplace of stars and planets, these cold dust particles are coated with mixed molecular ices whose composition is very well constrained. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by earlier interstellar chemistry standards, is widespread throughout the Universe. The first part of this lecture will describe how infrared studies of interstellar space, combined with laboratory simulations, have revealed the composition of interstellar ices (the building blocks of comets) and the high abundance and nature of interstellar PAHs. The laboratory database has now enabled us to gain insight into the identities, concentrations, and physical state of many interstellar materials. Within a dense molecular cloud, and especially in the solar nebula during the star and planet formation stage, the materials frozen into interstellar/precometary ices are photoprocessed by ultraviolet light, producing more complex molecules. The remainder of the presentation will focus on the photochemical evolution of these materials and the possible role of these compounds on the early Earth. As these materials are thought to be the building

  11. Breakdown of elasticity in amorphous solids

    Science.gov (United States)

    Biroli, Giulio; Urbani, Pierfrancesco

    2016-12-01

    What characterizes a solid is the way that it responds to external stresses. Ordered solids, such as crystals, exhibit an elastic regime followed by a plastic regime, both understood microscopically in terms of lattice distortion and dislocations. For amorphous solids the situation is instead less clear, and the microscopic understanding of the response to deformation and stress is a very active research topic. Several studies have revealed that even in the elastic regime the response is very jerky at low temperature, resembling very much the response of disordered magnetic materials. Here we show that in a very large class of amorphous solids this behaviour emerges upon decreasing temperature, as a phase transition, where standard elastic behaviour breaks down. At the transition all nonlinear elastic moduli diverge and standard elasticity theory no longer holds. Below the transition, the response to deformation becomes history- and time-dependent.

  12. Wear Resistant Amorphous and Nanocomposite Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Racek, O

    2008-03-26

    Glass forming materials (critical cooling rate <10{sup 4}K.s{sup -1}) are promising for their high corrosion and wear resistance. During rapid cooling, the materials form an amorphous structure that transforms to nanocrystalline during a process of devitrification. High hardness (HV 1690) can be achieved through a controlled crystallization. Thermal spray process has been used to apply coatings, which preserves the amorphous/nanocomposite structure due to a high cooling rate of the feedstock particles during the impact on a substrate. Wear properties have been studied with respect to process conditions and feedstock material properties. Application specific properties such as sliding wear resistance have been correlated with laboratory tests based on instrumented indentation and scratch tests.

  13. Fetus Amorphous Acardious – A Case Report

    Directory of Open Access Journals (Sweden)

    N. S. Kamakeri

    2016-04-01

    Full Text Available Fetus amorphous acardious is a rare fetal malformation lacking a functional heart and bearing no resemblance to human embryos. The main differential diagnosis is with placental teratoma and is based on the degree of skeletal organization and umbilical cord formation. A 26 year old woman delivered a healthy newborn at 38 weeks of gestation by caesarian section. An amorphous mass covered with healthy looking skin was connected to the placenta with a short pedicle. Xray examination of the mass revealed the presence of vertebral column associated with ribs and pelvic bones and axial skeleton. Histopathological examination demonstrates the presence of cartilage, bone, adipose tissue, skin with adnexal structures and neural tissue.

  14. Sunlight, Sea Ice, and the Ice Albedo Feedback in a Changing Arctic Sea Ice Cover

    Science.gov (United States)

    2013-09-30

    ice age, and iv) onset dates of melt and freezeup . 4. Assess the magnitude of the contribution from ice-albedo feedback to the observed decrease of...the impact on albedo evolution of ice concentration and melt and freezeup onset dates. This effort will expand on previous work by i) examining...radiation, ice concentration, ice type, and melt and freezeup onset dates on a 25 x 25 km equal area scalable grid. We have daily values of these parameters

  15. An Arctic sea ice thickness variability revealed from satellite altimetric measurements

    Institute of Scientific and Technical Information of China (English)

    BI Haibo; HUANG Haijun; SU Qiao; YAN Liwen; LIU Yanxia; XU Xiuli

    2014-01-01

    A modified algorithm taking into account the first year (FY) and multiyear (MY) ice densities is used to derive a sea ice thickness from freeboard measurements acquired by satellite altimetry ICESat (2003-2008). Estimates agree with various independent in situ measurements within 0.21 m. Both the fall and winter campaigns see a dramatic extent retreat of thicker MY ice that survives at least one summer melting sea-son. There were strong seasonal and interannual variabilities with regard to the mean thickness. Seasonal increases of 0.53 m for FY the ice and 0.29 m for the MY ice between the autumn and the winter ICESat campaigns, roughly 4-5 month separation, were found. Interannually, the significant MY ice thickness de-clines over the consecutive four ICESat winter campaigns (2005-2008) leads to a pronounced thickness drop of 0.8 m in MY sea ice zones. No clear trend was identified from the averaged thickness of thinner, FY ice that emerges in autumn and winter and melts in summer. Uncertainty estimates for our calculated thick-ness, caused by the standard deviations of multiple input parameters including freeboard, ice density, snow density, snow depth, show large errors more than 0.5 m in thicker MY ice zones and relatively small stan-dard deviations under 0.5 m elsewhere. Moreover, a sensitivity analysis is implemented to determine the separate impact on the thickness estimate in the dependence of an individual input variable as mentioned above. The results show systematic bias of the estimated ice thickness appears to be mainly caused by the variations of freeboard as well as the ice density whereas the snow density and depth brings about relatively insignificant errors.

  16. Tuning Metamaterials by using Amorphous Magnetic Microwires

    OpenAIRE

    Lopez-Dominguez, V.; Garcia, M.A.; Marin, P.; Hernando, A.

    2017-01-01

    In this work, we demonstrate theoretically and experimentally the possibility of tuning the electromagnetic properties of metamaterials with magnetic fields by incorporating amorphous magnetic microwires. The large permeability of these wires at microwave frequencies allows tuning the resonance of the metamaterial by using magnetic fields of the order of tens of Oe. We describe here the physical basis of the interaction between a prototypical magnetic metamaterial with magnetic microwires and...

  17. Metastable states in amorphous chalcogenide semiconductors

    CERN Document Server

    Mikla, Victor I

    2009-01-01

    This book addresses an interesting and technologically important class of materials, the amorphous chalcogenide semiconductors. Experimental results on the structural and electronic metastable states in Se-rich chalcogenides are presented. Special attention is paid to the states in the mobility gap and their sensitivity to various factors such as irradiation, annealing and composition. Photoinduced changes of structure and physical properties are also considered and structural transformation at photocrystallization is studied in detail. Finally, the authors discuss potential applications of th

  18. Derivation of a numerical solution of the 3D coupled velocity field for an ice sheet – ice shelf system, incorporating both full and approximate stress solutions

    NARCIS (Netherlands)

    Reerink, T.J.; van de Wal, R.S.W.; Borsboom, P.-P.

    2009-01-01

    To overcome the mechanical coupling of an ice sheet with an ice shelf, one single set of velocity equations is presented covering both the sheet and the shelf. This set is obtained by applying shared sheet-shelf approximations. The hydrostatic approximation and a constant density are the only approx

  19. Arctic Summer Ice Processes

    Science.gov (United States)

    Holt, Benjamin

    1999-01-01

    The primary objective of this study is to estimate the flux of heat and freshwater resulting from sea ice melt in the polar seas. The approach taken is to examine the decay of sea ice in the summer months primarily through the use of spaceborne Synthetic Aperture Radar (SAR) imagery. The improved understanding of the dynamics of the melt process can be usefully combined with ice thermodynamic and upper ocean models to form more complete models of ice melt. Models indicate that more heat is absorbed in the upper ocean when the ice cover is composed of smaller rather than larger floes and when there is more open water. Over the course of the summer, floes disintegrate by physical forcing and heating, melting into smaller and smaller sizes. By measuring the change in distribution of floes together with open water over a summer period, we can make estimates of the amount of heating by region and time. In a climatic sense, these studies are intended to improve the understanding of the Arctic heat budget which can then be eventually incorporated into improved global climate models. This work has two focus areas. The first is examining the detailed effect of storms on floe size and open water. A strong Arctic low pressure storm has been shown to loosen up the pack ice, increase the open water concentration well into the pack ice, and change the distribution of floes toward fewer and smaller floes. This suggests episodic melting and the increased importance of horizontal (lateral) melt during storms. The second focus area is related to an extensive ship-based experiment that recently took place in the Arctic called Surface Heat Budget of the Arctic (SHEBA). An icebreaker was placed purposely into the older pack ice north of Alaska in September 1997. The ship served as the base for experimenters who deployed extensive instrumentation to measure the atmosphere, ocean, and ice during a one-year period. My experiment will be to derive similar measurements (floe size, open

  20. Amorphous molybdenum silicon superconducting thin films

    Directory of Open Access Journals (Sweden)

    D. Bosworth

    2015-08-01

    Full Text Available Amorphous superconductors have become attractive candidate materials for superconducting nanowire single-photon detectors due to their ease of growth, homogeneity and competitive superconducting properties. To date the majority of devices have been fabricated using WxSi1−x, though other amorphous superconductors such as molybdenum silicide (MoxSi1−x offer increased transition temperature. This study focuses on the properties of MoSi thin films grown by magnetron sputtering. We examine how the composition and growth conditions affect film properties. For 100 nm film thickness, we report that the superconducting transition temperature (Tc reaches a maximum of 7.6 K at a composition of Mo83Si17. The transition temperature and amorphous character can be improved by cooling of the substrate during growth which inhibits formation of a crystalline phase. X-ray diffraction and transmission electron microscopy studies confirm the absence of long range order. We observe that for a range of 6 common substrates (silicon, thermally oxidized silicon, R- and C-plane sapphire, x-plane lithium niobate and quartz, there is no variation in superconducting transition temperature, making MoSi an excellent candidate material for SNSPDs.

  1. Shock induced crystallization of amorphous Nickel powders

    Science.gov (United States)

    Cherukara, Mathew; Strachan, Alejandro

    2015-06-01

    Recent experimental work has shown the efficacy of amorphous Ni/crystalline Al composites as energetic materials, with flame velocities twice that of a comparable crystalline Ni/crystalline Al system. Of further interest is the recrystallization mechanisms in the pure amorphous Ni powders, both thermally induced and mechanically induced. We present large-scale molecular dynamics simulations of shock-induced recrystallization in loosely packed amorphous Nickel powders. We study the time dependent nucleation and growth processes by holding the shocked samples at the induced pressures and temperatures for extended periods following the passage of the shock (up to 6 ns). We find that the nanostructure of the recrystallized Ni and time scales of recrystallization are dependent on the piston velocity. At low piston velocities, nucleation events are rare, leading to long incubation times and a relatively coarse nanostructure. At higher piston velocities, local variations in temperature due to jetting phenomena and void collapse, give rise to multiple nucleation events on time scales comparable to the passage of the shock wave, leading to the formation of a fine-grained nanostructure. Interestingly, we observe that the nucleation and growth process occurs in two steps, with the first nuclei crystallizing into the BCC structure, before evolving over time into the expected FCC structure. U.S. Defense Threat Reduction Agency, HDTRA1-10-1-0119 (Program Manager Suhithi Peiris).

  2. Concurrent multiscale modeling of amorphous materials

    Science.gov (United States)

    Tan, Vincent

    2013-03-01

    An approach to multiscale modeling of amorphous materials is presented whereby atomistic scale domains coexist with continuum-like domains. The atomistic domains faithfully predict severe deformation while the continuum domains allow the computation to scale up the size of the model without incurring excessive computational costs associated with fully atomistic models and without the introduction of spurious forces across the boundary of atomistic and continuum-like domains. The material domain is firstly constructed as a tessellation of Amorphous Cells (AC). For regions of small deformation, the number of degrees of freedom is then reduced by computing the displacements of only the vertices of the ACs instead of the atoms within. This is achieved by determining, a priori, the atomistic displacements within such Pseudo Amorphous Cells associated with orthogonal deformation modes of the cell. Simulations of nanoscale polymer tribology using full molecular mechanics computation and our multiscale approach give almost identical prediction of indentation force and the strain contours of the polymer. We further demonstrate the capability of performing adaptive simulations during which domains that were discretized into cells revert to full atomistic domains when their strain attain a predetermined threshold. The authors would like to acknowledge the financial support given to this study by the Agency of Science, Technology and Research (ASTAR), Singapore (SERC Grant No. 092 137 0013).

  3. Formation of iron disilicide on amorphous silicon

    Science.gov (United States)

    Erlesand, U.; Östling, M.; Bodén, K.

    1991-11-01

    Thin films of iron disilicide, β-FeSi 2 were formed on both amorphous silicon and on crystalline silicon. The β-phase is reported to be semiconducting with a direct band-gap of about 0.85-0.89 eV. This phase is known to form via a nucleation-controlled growth process on crystalline silicon and as a consequence a rather rough silicon/silicide interface is usually formed. In order to improve the interface a bilayer structure of amorphous silicon and iron was sequentially deposited on Czochralski silicon in an e-gun evaporation system. Secondary ion mass spectrometry profiling (SIMS) and scanning electron micrographs revealed an improvement of the interface sharpness. Rutherford backscattering spectrometry (RBS) and X-ray diffractiometry showed β-FeSi 2 formation already at 525°C. It was also observed that the silicide growth was diffusion-controlled, similar to what has been reported for example in the formation of NiSi 2 for the reaction of nickel on amorphous silicon. The kinetics of the FeSi 2 formation in the temperature range 525-625°C was studied by RBS and the activation energy was found to be 1.5 ± 0.1 eV.

  4. Ice shelf structure from dispersion curve analysis of passive-source seismic data, Ross Ice Shelf, Antarctica

    Science.gov (United States)

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

    2015-12-01

    An L-shaped array of three-component short period seismic stations was deployed at the Ross Ice Shelf, Antarctica approximately 100 km south of the ice edge, near 180° longitude, from November 18 through 28, 2014. Polarization analysis of data from these stations clearly shows propagating waves from below the ice shelf for frequencies below 2 Hz. Energy above 2 Hz is dominated by Rayleigh and Love waves propagating from the north. Frequency-slowness plots were calculated using beamforming. Resulting Love and Rayleigh wave dispersion curves were inverted for the shear wave velocity profile, from which we derive a density profile. The derived shear wave velocity profiles differ within the firn for the inversions using Rayleigh and Love wave dispersion curves. This difference is attributed to an effective anisotropy due to fine layering. The layered structure of firn, ice, water, and ocean floor results in a characteristic dispersion curve pattern below 7 Hz. We investigate the observed structures in more detail by forward modeling of Rayleigh wave dispersion curves for representative firn, ice, water, sediment structures. Rayleigh waves are observed when wavelengths are long enough to span the distance from the ice shelf surface to the seafloor. Our results show that the analysis of high frequency Rayleigh waves on an ice shelf has the ability to resolve ice shelf thickness, water column thickness, and the physical properties of the underlying ocean floor using passive-source seismic data.

  5. Solid-state amorphization of rebamipide and investigation on solubility and stability of the amorphous form.

    Science.gov (United States)

    Xiong, Xinnuo; Xu, Kailin; Li, Shanshan; Tang, Peixiao; Xiao, Ying; Li, Hui

    2017-02-01

    Solid-state amorphization of crystalline rebamipide (RBM) was realized by ball milling and spray drying. The amorphous content of samples milled for various time was quantified using X-ray powder diffraction. Crystalline RBM and three amorphous RBM obtained by milling and spray drying were characterized by morphological analysis, X-ray diffraction, thermal analysis and vibrational spectroscopy. The crystal structure of RBM was first determined by single-crystal X-ray diffraction. In addition, the solubility and dissolution rate of the RBM samples were investigated in different media. Results indicated that the solubility and the dissolution rates of spray-dried RBM-PVP in different media were highly improved compared with crystalline RBM. The physical stabilities of the three amorphous RBM were systematically investigated, and the stability orders under different storage temperatures and levels of relative humidity (RH) were both as follows: spray dried RBM < milled RBM < spray dried RBM-PVP. A direct glass-to-crystal transformation was induced under high RH, and the transformation rate rose with increasing RH. However, amorphous RBM could stay stable at RH levels lower than 57.6% (25 °C).

  6. Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying.

    Science.gov (United States)

    Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger; Rades, Thomas; Laitinen, Riikka

    2015-12-03

    In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed that in the spray-dried formulations the remaining crystallinity originated from SLS only. The best dissolution properties and a "spring and parachute" effect were found for SVS spray-dried from a 5% SLS solution without LYS. Despite the presence of at least partially crystalline SLS in the mixtures, all the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from aqueous surfactant solutions was able to produce formulations with improved physical stability for amorphous SVS.

  7. The structure and dynamics of carbon dioxide and water containing ices investigated via THz and mid-IR spectroscopy.

    Science.gov (United States)

    Allodi, Marco A; Ioppolo, Sergio; Kelley, Matthew J; McGuire, Brett A; Blake, Geoffrey A

    2014-02-28

    Icy dust grains play a key role in the chemistry of the interstellar medium. The cumulative outcome of recent observations, laboratory studies, and astrochemical models indicates that solid-phase reaction mechanisms may dominate the formation of complex organic molecules such as amino acids and sugars in space. Consequently, the composition and structure of the icy grain mantle may significantly influence solid-phase reaction pathways. In this work, we present a new experimental setup capable of studying astrochemical ice analogs in both the TeraHertz (THz), or far-Infrared (far-IR), region (0.3-7.5 THz; 10-250 cm(-1)) and the mid-IR (400-4000 cm(-1)). The instruments are capable of performing a variety of spectroscopic studies that can provide especially relevant laboratory data to support astronomical observations from telescopes such as Herschel, SOFIA, and ALMA. Experimental spectra of astrochemical ice analogs of water and carbon dioxide in pure, mixed, and layered ices were collected at different temperatures under high vacuum conditions with the goal of investigating the structure of the ice. We tentatively observe a new feature in both amorphous solid water and crystalline water at 33 cm(-1) (1 THz). In addition, our studies of mixed and layered ices show how it is possible to identify the location of carbon dioxide as it segregates within the ice by observing its effect on the THz spectrum of water ice. The THz spectra of mixed and layered ices are further analyzed by fitting their spectral features to those of pure amorphous solid water and crystalline water ice to quantify the effects of temperature changes on structure. From the results of this work, it appears that THz spectroscopy is potentially well suited to study thermal transformations within the ice.

  8. Amorphous and crystalline TiO2 nanotube arrays for enhanced Li-ion intercalation properties.

    Science.gov (United States)

    Guan, Dongsheng; Cai, Chuan; Wang, Ying

    2011-04-01

    We have employed a simple process of anodizing Ti foils to prepare TiO2 nanotube arrays which show enhanced electrochemical properties for applications as Li-ion battery electrode materials. The lengths and pore diameters of TiO2 nanotubes can be finely tuned by varying voltage, electrolyte composition, or anodization time. The as-prepared nanotubes are amorphous and can be converted into anatase nanotubes with heat treatment at 480 degrees C. Rutile crystallites emerge in the anatase nanotube when the annealing temperature is increased to 580 degrees C, resulting in TiO2 nanotubes of mixed phases. The morphological features of nanotubes remain unchanged after annealing. Li-ion insertion performance has been studied for amorphous and crystalline TiO2 nanotube arrays. Amorphous nanotubes with a length of 3.0 microm and an outer diameter of 125 nm deliver a capacity of 91.2 microA h cm(-2) at a current density of 400 microA cm(-2), while those with a length of 25 microm and an outer diameter of 158 nm display a capacity of 533 microA h cm-2. When the 3-microm long nanotubes become crystalline, they deliver lower capacities: the anatase nanotubes and nanotubes of mixed phases show capacities of 53.8 microA h cm-2 and 63.1 microA h cm(-2), respectively at the same current density. The amorphous nanotubes show excellent capacity retention ability over 50 cycles. The cycled nanotubes show little change in morphology compared to the nanotubes before electrochemical cycling. All the TiO2 nanotubes demonstrate higher capacities than amorphous TiO2 compact layer reported in literature. The amorphous TiO2 nanotubes with a length of 1.9 microm exhibit a capacity five times higher than that of TiO2 compact layer even when the nanotube array is cycled at a current density 80 times higher than that for the compact layer. These results suggest that anodic TiO2 nanotube arrays are promising electrode materials for rechargeable Li-ion batteries.

  9. Characterizing Amorphous Silicates in Extraterrestrial Materials

    Science.gov (United States)

    Fu, X.; Wang, A.; Krawczynski, M. J.

    2015-12-01

    Amorphous silicates are common in extraterrestrial materials. They are seen in the matrix of carbonaceous chondrites as well as in planetary materials. Tagish Lake is one of the most primitive carbonaceous meteorites in which TEM and XRD analyses found evidence for poorly crystalline phyllosilicate-like species; Raman spectra revealed amorphous silicates with variable degree of polymerization and low crystallinity. On Mars, CheMin discovered amorphous phases in all analyzed samples, and poorly crystalline smectite in mudstone samples. These discoveries pose questions on the crystallinity of phyllosilicates found by remote sensing on Mars, which is directly relevant to aqueous alteration during geologic history of Mars. Our goal is to use spectroscopy to better characterize amorphous silicates. We use three approaches: (1) using silicate glasses synthesized with controlled chemistry to study the effects of silicate polymerization and (2) using phyllosilicates synthesized with controlled hydrothermal treatment to study the effect of crystallinity on vibrational spectroscopy, finally (3) to use the developed correlations in above two steps to study amorphous phases in meteorites, and those found in future missions to Mars. In the 1st step, silicate glasses were synthesized from pure oxides in a range of NBO/T ratios (from 0 to 4). Depending on the targeted NBO/T and composition of mixed oxides, temperatures for each experiment fell in a range from 1260 to 1520 °C, run for ~ 4 hrs. The melt was quenched in liquid N2 or water. Homogeneity of glass was checked under optical microscopy. Raman spectra were taken over 100 spots on small chips free of bubbles and crystals. We have observed that accompanying an increase of NBO/T, there is a strengthening and a position shift of the Raman peak near 1000 cm-1 (Si-Onon-bridging stretching mode), and the weakening of broad Raman peaks near 500 cm-1 (ring breathing mode) and 700cm-1 (Si-Obridging-Si mode). We are building the

  10. Microbial abundance in surface ice on the Greenland Ice Sheet

    Directory of Open Access Journals (Sweden)

    Marek eStibal

    2015-03-01

    Full Text Available Measuring microbial abundance in glacier ice and identifying its controls is essential for a better understanding and quantification of biogeochemical processes in glacial ecosystems. However, cell enumeration of glacier ice samples is challenging due to typically low cell numbers and the presence of interfering mineral particles. We quantified for the first time the abundance of microbial cells in surface ice from geographically distinct sites on the Greenland Ice Sheet, using three enumeration methods: epifluorescence microscopy (EFM, flow cytometry (FCM and quantitative polymerase chain reaction (qPCR. In addition, we reviewed published data on microbial abundance in glacier ice and tested the three methods on artificial ice samples of realistic cell (10^2 – 10^7 cells ml-1 and mineral particle (0.1 – 100 mg/ml concentrations, simulating a range of glacial ice types, from clean subsurface ice to surface ice to sediment-laden basal ice. We then used multivariate statistical analysis to identify factors responsible for the variation in microbial abundance on the ice sheet. EFM gave the most accurate and reproducible results of the tested methodologies, and was therefore selected as the most suitable technique for cell enumeration of ice containing dust. Cell numbers in surface ice samples, determined by EFM, ranged from ca 2 x 10^3 to ca 2 x 10^6 cells/ml while dust concentrations ranged from 0.01 to 2 mg/ml. The lowest abundances were found in ice sampled from the accumulation area of the ice sheet and in samples affected by fresh snow; these samples may be considered as a reference point of the cell abundance of precipitants that are deposited on the ice sheet surface. Dust content was the most significant variable to explain the variation in the abundance data, which suggests a direct association between deposited dust particles and cells and/or by their provision of limited nutrients to microbial communities on the Greenland Ice Sheet.

  11. Ice shelf breaking and increase velocity of glacier: the view from analogue experiment

    Science.gov (United States)

    Corti, Giacomo; Iandelli, Irene

    2013-04-01

    Collapse of the Larsen II platform during the late 90s has generated an increase in velocity if ice sheet discharge, highlighting that these processes may strongly destabilize large ice masses speeding up the plateau discharge toward the sea. Parameters such as ice thickness, valley width and slope, ice pack dimensions may contribute to modulate the effect of increase in ice flow velocity following the removal of ice. We analyze this process through scale analogue models, aimed at reproducing the flow of ice from a plateau into the sea through a narrow valley. The ice is reproduced with a transparent silicone (Polydimethisiloxane), flowing at velocities of a few centimeters per hour and simulating natural velocities in the range of a few meters per year. Having almost the same density of the ice, PDMS floats on water and simulate the ice-shelf formation. Results of preliminary experimental series support that this methodology is able to reasonably reproduce the process and support a significant increase in velocity discharge following the removal of ice pack. Additional tests are designed to verify the influence of the above-mentioned parameters on the increase in ice velocity.

  12. The interaction between sea ice and salinity-dominated ocean circulation: implications for halocline stability and rapid changes of sea ice cover

    Science.gov (United States)

    Jensen, Mari F.; Nilsson, Johan; Nisancioglu, Kerim H.

    2016-11-01

    Changes in the sea ice cover of the Nordic Seas have been proposed to play a key role for the dramatic temperature excursions associated with the Dansgaard-Oeschger events during the last glacial. In this study, we develop a simple conceptual model to examine how interactions between sea ice and oceanic heat and freshwater transports affect the stability of an upper-ocean halocline in a semi-enclosed basin. The model represents a sea ice covered and salinity stratified Nordic Seas, and consists of a sea ice component and a two-layer ocean. The sea ice thickness depends on the atmospheric energy fluxes as well as the ocean heat flux. We introduce a thickness-dependent sea ice export. Whether sea ice stabilizes or destabilizes against a freshwater perturbation is shown to depend on the representation of the diapycnal flow. In a system where the diapycnal flow increases with density differences, the sea ice acts as a positive feedback on a freshwater perturbation. If the diapycnal flow decreases with density differences, the sea ice acts as a negative feedback. However, both representations lead to a circulation that breaks down when the freshwater input at the surface is small. As a consequence, we get rapid changes in sea ice. In addition to low freshwater forcing, increasing deep-ocean temperatures promote instability and the disappearance of sea ice. Generally, the unstable state is reached before the vertical density difference disappears, and the temperature of the deep ocean do not need to increase as much as previously thought to provoke abrupt changes in sea ice.

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

    Science.gov (United States)

    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

  14. Modelling the Antarctic Ice Sheet

    DEFF Research Database (Denmark)

    Pedersen, Jens Olaf Pepke; Holm, A.

    2015-01-01

    The Antarctic ice sheet is a major player in the Earth’s climate system and is by far the largest depository of fresh water on the planet. Ice stored in the Antarctic ice sheet (AIS) contains enough water to raise sea level by about 58 m, and ice loss from Antarctica contributed significantly...... Science) Antarctic Ice Sheet (DAIS) model (Shaffer 2014) is forced by reconstructed time series of Antarctic temperature, global sea level and ocean subsurface temperature over the last two glacial cycles. In this talk a modelling work of the Antarctic ice sheet over most of the Cenozoic era using...

  15. Hydrological and thermal controls of ice formation in 25 boreal stream reaches

    Science.gov (United States)

    Lind, Lovisa; Alfredsen, Knut; Kuglerová, Lenka; Nilsson, Christer

    2016-09-01

    The Northern Hemisphere has a high density of fluvial freshwater ecosystems, many of which become ice-covered during winter. The development and extent of ice have both ecological and socio-economic implications. For example, ice can cause freezing of riparian vegetation and fish eggs as well as influence hydropower production; however, when, where and why ice develops in small streams is not well known. We used observations from 25 stream reaches to study the factors controlling ice development during two consecutive winters, addressing where in the catchment surface or anchor-ice is most likely to develop, how stream morphology influences ice formation, and how climate influences ice processes. Reaches far downstream from lake outlets, or without any upstream lakes, were most prone to develop anchor-ice, but other factors also influenced ice formation. Anchor-ice was most common where water temperature and groundwater inputs were low and stream power high. Given cold air temperature and water supercooling, the in-stream substrate as well as the current velocity were also important for the development of anchor-ice. Climate and substrate seemed to be important factors for the development of surface ice. This study shows that ice processes are substantial during the hydrological year and may therefore have large implications for the ecology and engineering around boreal streams. The study also demonstrates that ice formation in the studied streams was complex, involving many variables and physical processes. We constructed a conceptual model describing the likelihood for various ice types to develop, based on the large dataset. As such, this model will be useful for practitioners and scientists working in small watercourses in the Northern Hemisphere.

  16. Data archaeology at ICES

    Science.gov (United States)

    Dooley, Harry D.

    1992-01-01

    This paper provides a brief overview of the function of the International Council for the Exploration of the Sea (ICES), both past and present, in particular in the context of its interest in compiling oceanographic data sets. Details are provided of the procedures it adopted to ensure adequate internationally collaborative marine investigations during the first part of the century, such as how it provided a forum for action by its member states, how it coordinated and published the results of scientific programs, and how it provided a foundation, through scientists employed in the ICES Office, for the establishment of the original oceanographic marine databases and associated products, and the scientific interpretation of the results. The growth and expansion of this area of ICES activity is then traced, taking into account the changing conditions for oceanographic data management resulting from the establishment of the National Data Centres, as well as the World Data Centres for Oceanography, which were created to meet the needs of the International Geophysical Year (IGY). Finally, there is a discussion of the way in which the very existence of ICES has proved to be a valuable source of old data, some of which have not yet been digitized, but which can be readily retrieved because they have been very carefully documented throughout the years. Lessons from this activity are noted, and suggestions are made on how the past experiences of ICES can be utilized to ensure the availability of marine data to present and future generations of scientists.

  17. IDEOLOGICALLY CHALLENGING ENTERTAINMENT (ICE

    Directory of Open Access Journals (Sweden)

    Dana Lori Chalmers

    2015-09-01

    Full Text Available Ideologically Challenging Entertainment (ICE is entertainment that challenges ‘us vs. them’ ideologies associated with radicalization, violent conflict and terrorism. ICE presents multiple perspectives on a conflict through mainstream entertainment. This article introduces the theoretical underpinnings of ICE, the first ICE production and the audience responses to it. The first ICE production was Two Merchants: The Merchant of Venice adapted to challenge ideologies of the Arab-Israeli Conflict. A mixed-methods study of audience responses explored whether this production inspired audiences to shift their ideological views. Each performance included two versions of the adaptation: a Jewish dominated society with an Arab Muslim minority, contrasted with an Arab Muslim dominated society and a Jewish minority. A mixed-methods study of audience responses explored whether this production inspired audiences to shift their ideological views to become more tolerant of differences away from ideological radicalization. Of audience members who did not initially agree with the premise of the production, 40% reconsidered their ideological views, indicating increased tolerance, greater awareness of and desire to change their own prejudices. In addition, 86% of the audience expressed their intention to discuss the production with others, thereby encouraging critical engagement with, and broader dissemination of the message. These outcomes suggest that high quality entertainment – as defined by audience responses to it - can become a powerful tool in the struggle against radicalised ideologies.

  18. In situ observations of a high-pressure phase of H2O ice

    Science.gov (United States)

    Chou, I.-Ming; Blank, J.G.; Goncharov, A.F.; Mao, Ho-kwang; Hemley, R.J.

    1998-01-01

    A previously unknown solid phase of H2O has been identified by its peculiar growth patterns, distinct pressure-temperature melting relations, and vibrational Raman spectra. Morphologies of ice crystals and their pressure-temperature melting relations were directly observed in a hydrothermal diamond-anvil cell for H2O bulk densities between 1203 and 1257 kilograms per cubic meter at temperatures between -10??and 50??C. Under these conditions, four different ice forms were observed to melt: two stable phases, ice V and ice VI, and two metastable phases, ice IV and the new ice phase. The Raman spectra and crystal morphology are consistent with a disordered anisotropic structure with some similarities to ice VI.

  19. Carrier transport in amorphous silicon utilizing picosecond photoconductivity

    Science.gov (United States)

    Johnson, A. M.

    1981-08-01

    The development of a high-speed electronic measurement capability permitted the direct observation of the transient photoresponse of amorphous silicon (a-Si) with a time resolution of approximately 10ps. This technique was used to measure the initial mobility of photogenerated (2.1eV) free carriers in three types of a-Si having widely different densities of structural defects (i.e., as prepared by: (1) RF glow discharge (a-Si:H); (2) chemical vapor deposition; and (3) evaporation in ultra-high vacuum). In all three types of a-Si, the same initial mobility of approximately 1 cu cm/Vs at room temperature was found. This result tends to confirm the often-made suggestion that the free carrier mobility is determined by the influence of shallow states associated with the disorder in the random atomic network, and is an intrinsic property of a-Si which is unaffected by the method of preparation. The rate of decay of the photocurrent correlates with the density of structural defects and varies from 4ps to 200ps for the three types of a-Si investigated. The initial mobility of a-Si:H was found to be thermally activated. The possible application of extended state transport controlled by multiple trapping and small polaron formation is discussed.

  20. Ice Cores of the National Ice Core Laboratory

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — The U.S. National Ice Core Laboratory (NICL) is a facility for storing, curating, and studying ice cores recovered from the polar regions of the world. It provides...