Diffusive dynamics during the high-to-low density transition in amorphous ice

Science.gov (United States)

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix; Sprung, Michael; Mariedahl, Daniel; Sellberg, Jonas A.; Pathak, Harshad; Späh, Alexander; Cavalca, Filippo; Schlesinger, Daniel; Ricci, Alessandro; Jain, Avni; Massani, Bernhard; Aubree, Flora; Benmore, Chris J.; Loerting, Thomas; Grübel, Gerhard; Pettersson, Lars G. M.; Nilsson, Anders

2017-08-01

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distribution function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. The diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid-liquid transition in the ultraviscous regime.

Dynamics anomaly in high-density amorphous ice between 0.7 and 1.1 GPa

Science.gov (United States)

Handle, Philip H.; Loerting, Thomas

2016-02-01

We studied high-density amorphous ices between 0.004 and 1.6 GPa by isobaric in situ volumetry and by subsequent ex situ x-ray diffraction and differential scanning calorimetry at 1 bar. Our observations indicate two processes, namely, relaxation in the amorphous matrix and crystallization, taking place at well-separated time scales. For this reason, we are able to report rate constants of crystallization kX and glass-transition temperatures Tg in an unprecedented pressure range. Tg's agree within ±3 K with earlier work in the small pressure range where there is overlap. Both Tg and kX show a pressure anomaly between 0.7 and 1.1 GPa, namely, a kX minimum and a Tg maximum. This anomalous pressure dependence suggests a continuous phase transition from high- (HDA) to very-high-density amorphous ice (VHDA) and faster hydrogen bond dynamics in VHDA. We speculate this phenomenology can be rationalized by invoking the crossing of a Widom line between 0.7 and 1.1 GPa emanating from a low-lying HDA-VHDA critical point. Furthermore, we interpret the volumetric relaxation of the amorphous matrix to be accompanied by viscosity change to explain the findings such that the liquid state can be accessed prior to the crystallization temperature TX at 0.8 GPa.

Peculiarities of Vibration Characteristics of Amorphous Ices

Science.gov (United States)

Gets, Kirill V.; Subbotin, Oleg S.; Belosludov, Vladimir R.

2012-03-01

Dynamic properties of low (LDA), high (HDA) and very high (VHDA) density amorphous ices were investigated within the approach based on Lattice Dynamics simulations. In this approach, we assume that the short-range molecular order mainly determines the dynamic and thermodynamic properties of amorphous ices. Simulation cell of 512 water molecules with periodical boundary conditions and disordering allows us to study dynamical properties and dispersion curves in the Brillouin zone of pseudo-crystal. Existence of collective phenomena in amorphous ices which is usual for crystals but anomalous for disordered phase was confirmed in our simulations. Molecule amplitudes of delocalized (collective) as well as localized vibrations have been considered.

Short, intermediate and long range order in amorphous ices

Science.gov (United States)

Martelli, Fausto; Torquato, Salvatore; Giovanbattista, Nicolas; Car, Roberto

Water exhibits polyamorphism, i.e., it exists in more than one amorphous state. The most common forms of glassy water are the low-density amorphous (LDA) and the high-density amorphous (HDA) ices. LDA, the most abundant form of ice in the Universe, transforms into HDA upon isothermal compression. We model the transformation of LDA into HDA under isothermal compression with classical molecular dynamics simulations. We analyze the molecular structures with a recently introduced scalar order metric to measure short and intermediate range order. In addition, we rank the structures by their degree of hyperuniformity, i.e.,the extent to which long range density fluctuations are suppressed. F.M. and R.C. acknowledge support from the Department of Energy (DOE) under Grant No. DE-SC0008626.

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

Vibrational spectra and boson-like excitations in different amorphous forms of ice

International Nuclear Information System (INIS)

Kolesnikov, A.I.; Li, J.C.; Uffindell, C.H.

1999-01-01

Complete text of publication follows. Glasses are very interesting objects in the physics of condensed matter, with many universal properties, such as low-energy excitations (LEE) coexisting with the sound waves and giving an excess of vibrational modes with respect to the crystalline spectrum (the so called 'boson' peak) in Raman and inelastic neutron scattering (INS). Recently it was discovered that films of hydrogenated amorphous silicon do not show such LEE, whereas films of amorphous silicon do [1]. Also, the resonant absorption by two-level systems was observed for the high-density amorphous (hda) ice but not for the low-density amorphous (lda) ice in the far infrared spectra [2]. Thus, the nature of these near universal LEE becomes rather puzzling. This report presents the results of INS studies for hda and lda ice produced by high-pressure treatment and for vapor-deposited lda ice. Clear LEE were observed in the spectra for hda and deposited lda ice unlike their crystalline analogues. (author)

Dynamics and Structural Details of Amorphous Phases of Ice Determined by Incoherent Inelastic Neutron Scattering

International Nuclear Information System (INIS)

Klug, D.D.; Tulk, C.A.; Svensson, E.C.; Loong, C.

1999-01-01

Incoherent-inelastic neutron scattering data are obtained over the energy range of lattice and internal vibrations of water molecules in phases of ice prepared by pressure-induced amorphization (high-density amorphous ice, hda), by thermal annealing of hda (low-density amorphous ice, lda), and by rapidly cooling water, as well as in ice Ih and Ic . Hydrogen bonding interactions in lda differ significantly from those in the glass obtained by rapid quenching, which has hydrogen-bond interactions characteristic of highly supercooled water. Hydrogen-bond interactions in hda are weaker than in the low-density phases. copyright 1999 The American Physical Society

Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

Science.gov (United States)

Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. 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 LDL configurations are located in the same megabasin as LDA, and that 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 and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

Polarized Raman spectroscopic study of relaxed high density amorphous ices under pressure.

Science.gov (United States)

Suzuki, Yoshiharu; Tominaga, Yasunori

2010-10-28

We have made high density amorphous ice (HDA) by the pressure-induced amorphization of hexagonal ice at 77 K and measured the volume change on isobaric heating in a pressure range between 0.1 and 1.5 GPa. The volume of HDA on heating below ∼0.35 GPa increases, while the volume of HDA on heating above ∼0.35 GPa decreases. The polarized OH-stretching Raman spectra of the relaxed HDAs are compared with that of the unannealed HDA. The relaxed HDAs are prepared at 0.2 GPa at 130 K and 1.5 GPa at 160 K. It is found that the relatively strong totally symmetric OH-stretching vibration mode around 3100 cm(-1) exists in the depolarized reduced Raman spectrum χ(VH)(") of the unannealed HDA and that its intensity rapidly decreases by relaxation. The χ(VH)(") profiles of the relaxed HDA are similar to those of liquid water. These results indicate that the HDA reaches a nearly equilibrium state by annealing and the intrinsic state of HDA relates to a liquid state. The pressure-volume curve of the relaxed HDA at 140 K seems to be smooth in the pressure range below 1.5 GPa.

Reversible pressure-induced crystal-amorphous structural transformation in ice Ih

Science.gov (United States)

English, Niall J.; Tse, John S.

2014-08-01

Molecular dynamics (MD) simulation of depressurised high-density amorphous ice (HDA) at 80 K and at negative pressures has been performed. Over several attempts, HDA recrystallised to a form close to hexagonal ice Ih, albeit with some defects. The results support the hypothesis that compression of ice-Ih to HDA is a reversible first-order phase transition, with a large hysteresis. Therefore, it would appear that LDA is not truly amorphous. The elastic energy estimated from the area of the hysteresis loop is ca. 4.5 kJ/mol, in some way consistent with experimentally-determined accumulated successive heats of transformations from recovered HDA → ice Ih.

Experimental study of the polyamorphism of water. I. The isobaric transitions from amorphous ices to LDA at 4 MPa

Science.gov (United States)

Handle, Philip H.; Loerting, Thomas

2018-03-01

The existence of more than one solid amorphous state of water is an extraordinary feature. Since polyamorphism might be connected to the liquid-liquid critical point hypothesis, it is particularly important to study the relations amongst the different amorphous ices. Here we study the polyamorphic transformations of several high pressure amorphous ices to low-density amorphous ice (LDA) at 4 MPa by isobaric heating utilising in situ volumetry and ex situ X-ray diffraction. We find that very-high density amorphous ice (VHDA) and unannealed high density amorphous ice (HDA) show significant relaxation before transforming to LDA, whereby VHDA is seen to relax toward HDA. By contrast, expanded HDA shows almost no relaxation prior to the transformation. The transition to LDA itself obeys criteria for a first-order-like transition in all cases. In the case of VHDA, even macroscopic phase separation is observed. These findings suggest that HDA and LDA are two clearly distinct polyamorphs. We further present evidence that HDA reaches the metastable equilibrium at 140 K and 0.1 GPa but only comes close to that at 140 K and 0.2 GPa. The most important is the path independence of the amorphous phase reached at 140 K and 0.1 GPa.

Investigation of the intermediate- and high-density forms of amorphous ice by molecular dynamics calculations and diffraction experiments

International Nuclear Information System (INIS)

Tse, John S.; Klug, Dennis D.; Guthrie, Malcolm; Benmore, Chris J.; Urquidi, Jacob; Tulk, Chris A.

2005-01-01

The lack of an 'isosbestic' point in the oxygen-oxygen atom radial distribution functions (RDFs) for the HDA→LDA ice transformation at ambient pressure derived from molecular dynamics (MD) calculations show unequivocally that intermediate phases are not equilibrium mixtures of these two amorphous forms. This is supported by x-ray structure factor data, where it is found that linear combinations of the starting and end amorphous forms do not describe intermediate forms of amorphous ice formed during the transformation. This reflects the fact that the x-ray data are heavily weighted to O-O correlations and therefore sensitive to the basic structural changes that occur during the relaxation process. The ice Ih→HDA transformation is also reexamined using MD to identify its thermodynamic nature. This apparently first-order transition induced by a mechanical instability is investigated by compression followed by decompression to negative pressures. In this study we demonstrated that the full van der Waals loop for this transition can be identified

Amorphous ices explained in terms of nonequilibrium phase transitions in supercooled water

Science.gov (United States)

Limmer, David; Chandler, David

2013-03-01

We analyze the phase diagram of supercooled water out-of-equilibrium using concepts from space-time thermodynamics and the dynamic facilitation theory of the glass transition, together with molecular dynamics simulations. We find that when water is driven out-of-equilibrium, it can exist in multiple amorphous states. In contrast, we find that when water is at equilibrium, it can exist in only one liquid state. The amorphous non-equilibrium states are solids, distinguished from the liquid by their lack of mobility, and distinguished from each other by their different densities and local structure. This finding explains the experimentally observed polyamorphism of water as a class of nonequilibrium phenomena involving glasses of different densities. While the amorphous solids can be long lived, they are thermodynamically unstable. When allowed to relax to equilibrium, they crystallize with pathways that pass first through liquid state configurations and then to ordered ice.

Amorphous ice. A microporous solid: astrophysical implications

International Nuclear Information System (INIS)

Mayer, E.; Pletzer, R.

1987-01-01

Vapour deposited amorphous ice, investigated by N 2 -adsorption at 77 K, was found to be a microporous solid. Micropore volumes between 0.21 and 0.12 cm 3 /g were determined by comparison plots and Dubinin-Radushkevich plots. Warming of the adsorbent to 113 K caused sintering and reduction of apparent surface area by about an order of magnitude; in the presence of adsorbed gas, large amounts of gas were enclosed in the solid. The influence of micropores on the H 2 recombination rate on amorphous ice in interstellar dust and on adsorption of volatile gases in comets is discussed briefly

Visible and ultraviolet emission from pulse irradiated amorphous and polycrystalline H2O ice

International Nuclear Information System (INIS)

Freeman, C.G.; Quickenden, T.I.; Litjens, R.A.J.; Sangster, D.F.

1984-01-01

Luminescence peaking at 405 nm was observed when thin films of amorphous or polycrystalline ice at 97 K were irradiated with a pulsed beam of 0.53 MeV electrons. These emissions differed from the luminescence emitted by crystalline ice in that memory effects were not observed; the peak wavelengths were red shifted by approx.20 nm; and the half-lives were 6--9 ns instead of approx.400 ns. The emission spectra of polycrystalline ice samples produced by rapid deposition or by annealing amorphous ice were similar, but both had substantially lower intensities than amorphous ice spectra

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.

On the nature of amorphous polymorphism of water

OpenAIRE

Koza, Michael Marek; Geil, Burkhard; Winkel, Katrin; Koehler, Christian; Czeschka, Franz; Scheuermann, Marco; Schober, Helmut; Hansen, Thomas

2005-01-01

We report elastic and inelastic neutron scattering experiments on different amorphous ice modifications. It is shown that an amorphous structure (HDA') indiscernible from the high-density phase (HDA), obtained by compression of crystalline ice, can be formed from the very high-density phase (vHDA) as an intermediate stage of the transition of vHDA into its low-density modification (LDA'). Both, HDA and HDA' exhibit comparable small angle scattering signals characterizing them as structures he...

Electron transfer from electronic excited states to sub-vacuum electron traps in amorphous ice

International Nuclear Information System (INIS)

Vichnevetski, E.; Bass, A.D.; Sanche, L.

2000-01-01

We investigate the electron stimulated yield of electronically excited argon atoms (Ar * ) from monolayer quantities of Ar deposited onto thin films of amorphous ice. Two peaks of narrow width ( - electron-exciton complex into exciton states, by the transfer of an electron into a sub-vacuum electron state within the ice film. However, the 10.7 eV feature is shifted to lower energy since electron attachment to Ar occurs within small pores of amorphous ice. In this case, the excess electron is transferred into an electron trap below the conduction band of the ice layer

FIRST INFRARED BAND STRENGTHS FOR AMORPHOUS CO{sub 2}, AN OVERLOOKED COMPONENT OF INTERSTELLAR ICES

Energy Technology Data Exchange (ETDEWEB)

Gerakines, Perry A.; Hudson, Reggie L., E-mail: Reggie.Hudson@NASA.gov [Astrochemistry Laboratory, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2015-08-01

Solid carbon dioxide (CO{sub 2}) has long been recognized as a component of both interstellar and solar system ices, but a recent literature search has revealed significant qualitative and quantitative discrepancies in the laboratory spectra on which the abundances of extraterrestrial CO{sub 2} are based. Here we report new infrared (IR) spectra of amorphous CO{sub 2}-ice along with band intensities (band strengths) of four mid-IR absorptions, the first such results in the literature. A possible thickness dependence for amorphous-CO{sub 2} IR band shapes and positions also is investigated, and the three discordant reports of amorphous CO{sub 2} spectra in the literature are addressed. Applications of our results are discussed with an emphasis on laboratory investigations and results from astronomical observations. A careful comparison with earlier work shows that the IR spectra calculated from several databases for CO{sub 2} ices, all ices being made near 10 K, are not for amorphous CO{sub 2}, but rather for crystalline CO{sub 2} or crystalline-amorphous mixtures.

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

Energy Technology Data Exchange (ETDEWEB)

McMullan, G., E-mail: gm2@mrc-lmb.cam.ac.uk; Vinothkumar, K.R.; Henderson, R.

2015-11-15

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{sup 2} for every incident 300 keV e{sup −}/Å{sup 2}. The induced motion leads to an optimal exposure with 300 keV electrons of 4.0 e{sup −}/Å{sup 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. - Highlights: • Thon rings can be seen from amorphous ice. • Radiation damage to amorphous ice randomly displaces water molecules. • Each incident 300 keV e{sup −}/Å{sup 2} displaces water molecules on average by ∼1 Å. • Macromolecules embedded in amorphous ice undergo beam induced Brownian motion.

Neutron scattering studies of the phase-transitions of ices by thermal-annealing

International Nuclear Information System (INIS)

Wang, Y.; Kolesnikov, A.; Li, J.C.

1999-01-01

Complete text of publication follows. Inelastic incoherent neutron scattering was used to study the phase-transition process of high-density amorphous (hda) ice produced by pressurising ice-Ih at 16 kbar and 77 K to low-density amorphous (Ida) ice, ice-Ic and ice-Ih by thermobaric treatments. The results show that when annealing temperature is lower than 136 K no obvious phase-transition was observed and transformation of the hda to the lda ice occurs between 136 and 144 K which is very closed to the theoretically calculated value 135 K (1). Comparing the lda spectrum with the vapour deposited low-density amorphous ice (2) shows a number of differences in the translational and vibrational regions, such as the low energy cut off of the vibrational band. On the other hand, the recovered lda from the hda ice has a similar spectrum as ice-Ih. (author)

Ice Ih anomalies: Thermal contraction, anomalous volume isotope effect, and pressure-induced amorphization

Science.gov (United States)

Salim, Michael A.; Willow, Soohaeng Yoo; Hirata, So

2016-05-01

Ice Ih displays several anomalous thermodynamic properties such as thermal contraction at low temperatures, an anomalous volume isotope effect (VIE) rendering the volume of D2O ice greater than that of H2O ice, and a pressure-induced transition to the high-density amorphous (HDA) phase. Furthermore, the anomalous VIE increases with temperature, despite its quantum-mechanical origin. Here, embedded-fragment ab initio second-order many-body perturbation (MP2) theory in the quasiharmonic approximation (QHA) is applied to the Gibbs energy of an infinite, proton-disordered crystal of ice Ih at wide ranges of temperatures and pressures. The quantum effect of nuclei moving in anharmonic potentials is taken into account from first principles without any empirical or nonsystematic approximation to either the electronic or vibrational Hamiltonian. MP2 predicts quantitatively correctly the thermal contraction at low temperatures, which is confirmed to originate from the volume-contracting hydrogen-bond bending modes (acoustic phonons). It qualitatively reproduces (but underestimates) the thermal expansion at higher temperatures, caused by the volume-expanding hydrogen-bond stretching (and to a lesser extent librational) modes. The anomalous VIE is found to be the result of subtle cancellations among closely competing isotope effects on volume from all modes. Consequently, even ab initio MP2 with the aug-cc-pVDZ and aug-cc-pVTZ basis sets has difficulty reproducing this anomaly, yielding qualitatively varied predictions of the sign of the VIE depending on such computational details as the choice of the embedding field. However, the temperature growth of the anomalous VIE is reproduced robustly and is ascribed to the librational modes. These solid-state MP2 calculations, as well as MP2 Born-Oppenheimer molecular dynamics, find a volume collapse and a loss of symmetry and long-range order in ice Ih upon pressure loading of 2.35 GPa or higher. Concomitantly, rapid softening of

Ice Ih anomalies: Thermal contraction, anomalous volume isotope effect, and pressure-induced amorphization

Energy Technology Data Exchange (ETDEWEB)

Salim, Michael A.; Willow, Soohaeng Yoo; Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States)

2016-05-28

Ice Ih displays several anomalous thermodynamic properties such as thermal contraction at low temperatures, an anomalous volume isotope effect (VIE) rendering the volume of D{sub 2}O ice greater than that of H{sub 2}O ice, and a pressure-induced transition to the high-density amorphous (HDA) phase. Furthermore, the anomalous VIE increases with temperature, despite its quantum-mechanical origin. Here, embedded-fragment ab initio second-order many-body perturbation (MP2) theory in the quasiharmonic approximation (QHA) is applied to the Gibbs energy of an infinite, proton-disordered crystal of ice Ih at wide ranges of temperatures and pressures. The quantum effect of nuclei moving in anharmonic potentials is taken into account from first principles without any empirical or nonsystematic approximation to either the electronic or vibrational Hamiltonian. MP2 predicts quantitatively correctly the thermal contraction at low temperatures, which is confirmed to originate from the volume-contracting hydrogen-bond bending modes (acoustic phonons). It qualitatively reproduces (but underestimates) the thermal expansion at higher temperatures, caused by the volume-expanding hydrogen-bond stretching (and to a lesser extent librational) modes. The anomalous VIE is found to be the result of subtle cancellations among closely competing isotope effects on volume from all modes. Consequently, even ab initio MP2 with the aug-cc-pVDZ and aug-cc-pVTZ basis sets has difficulty reproducing this anomaly, yielding qualitatively varied predictions of the sign of the VIE depending on such computational details as the choice of the embedding field. However, the temperature growth of the anomalous VIE is reproduced robustly and is ascribed to the librational modes. These solid-state MP2 calculations, as well as MP2 Born–Oppenheimer molecular dynamics, find a volume collapse and a loss of symmetry and long-range order in ice Ih upon pressure loading of 2.35 GPa or higher. Concomitantly, rapid

Polyamorphism in tetrahedral substances: Similarities between silicon and ice

Science.gov (United States)

Garcez, K. M. S.; Antonelli, A.

2015-07-01

Tetrahedral substances, such as silicon, water, germanium, and silica, share various unusual phase behaviors. Among them, the so-called polyamorphism, i.e., the existence of more than one amorphous form, has been intensively investigated in the last three decades. In this work, we study the metastable relations between amorphous states of silicon in a wide range of pressures, using Monte Carlo simulations. Our results indicate that the two amorphous forms of silicon at high pressures, the high density amorphous (HDA) and the very high density amorphous (VHDA), can be decompressed from high pressure (˜20 GPa) down to the tensile regime, where both convert into the same low density amorphous. Such behavior is also observed in ice. While at high pressure (˜20 GPa), HDA is less stable than VHDA, at the pressure of 10 GPa both forms exhibit similar stability. On the other hand, at much lower pressure (˜5 GPa), HDA and VHDA are no longer the most stable forms, and, upon isobaric annealing, an even less dense form of amorphous silicon emerges, the expanded high density amorphous, again in close similarity to what occurs in ice.

Nature of amorphous polymorphism of water

International Nuclear Information System (INIS)

Koza, M.M.; Schober, H.; Hansen, T.; Geil, B.; Winkel, K.; Koehler, C.; Scheuermann, M.; Czeschka, F.

2005-01-01

We report elastic and inelastic neutron scattering experiments on different amorphous ice modifications. It is shown that an amorphous structure (HDA ' ) indiscernible from the high-density phase (HDA), obtained by compression of crystalline ice, can be formed from the very high-density phase (vHDA) as an intermediate stage of the transition of vHDA into its low-density modification (LDA ' ). Both HDA and HDA ' exhibit comparable small-angle scattering signals characterizing them as structures heterogeneous on a length scale of a few nanometers. The homogeneous structures are the initial and final transition stages vHDA and LDA ' , respectively. Despite their apparent structural identity on a local scale, HDA and HDA ' differ in their transition kinetics explored by in situ experiments. The activation energy of the vHDA-to-LDA ' transition is at least 20 kJ/mol higher than the activation energy of the HDA-to-LDA transition

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model

Science.gov (United States)

Engstler, Justin; Giovambattista, Nicolas

2017-08-01

We characterize the phase behavior of glassy water by performing extensive out-of-equilibrium molecular dynamics simulations using the TIP4P/2005 water model. Specifically, we study (i) the pressure-induced transformations between low-density (LDA) and high-density amorphous ice (HDA), (ii) the pressure-induced amorphization (PIA) of hexagonal ice (Ih), (iii) the heating-induced LDA-to-HDA transformation at high pressures, (iv) the heating-induced HDA-to-LDA transformation at low and negative pressures, (v) the glass transition temperatures of LDA and HDA as a function of pressure, and (vi) the limit of stability of LDA upon isobaric heating and isothermal decompression (at negative pressures). These transformations are studied systematically, over a wide range of temperatures and pressures, allowing us to construct a P-T phase diagram for glassy TIP4P/2005 water. Our results are in qualitative agreement with experimental observations and with the P-T phase diagram obtained for glassy ST2 water that exhibits a liquid-liquid phase transition and critical point. We also discuss the mechanism for PIA of ice Ih and show that this is a two-step process where first, the hydrogen-bond network (HBN) is distorted and then the HBN abruptly collapses. Remarkably, the collapse of the HB in ice Ih occurs when the average molecular orientations order, a measure of the tetrahedrality of the HBN, is of the same order as in LDA, suggesting a common mechanism for the LDA-to-HDA and Ih-to-HDA transformations.

AN INFRARED SPECTROSCOPIC STUDY OF AMORPHOUS AND CRYSTALLINE ICES OF VINYLACETYLENE AND IMPLICATIONS FOR SATURN'S SATELLITE TITAN

International Nuclear Information System (INIS)

Kim, Y. S.; Kaiser, R. I.

2009-01-01

Laboratory infrared spectra of amorphous and crystalline vinylacetylene ices were recorded in the range of 7000-400 cm -1 . The spectra showed several amorphous features in the ice deposited at 10 K, which were then utilized to monitor a phase transition between 93 ± 1 K to form the crystalline structure. Successive heating allows monitoring of the sublimation profile of the vinylacetylene sample in the range of 101-120 K. Considering Titan's surface temperature of 94 K, vinylacetylene ice is likely to be crystalline. Analogous studies on related planetary-bound molecules such as triaceylene and cyanoacetylene may be further warranted to gain better perspectives into the composition of the condensed phases in the Titan's atmosphere (aerosol particles) and of Titan's surface. Based on our studies, we recommend utilizing the ν 1 and ν 16 //ν 11 /ν 17 fundamentals at about 3300 and 650 cm -1 to determine if solid vinylacetylene is crystalline or amorphous on Titan.

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. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

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.

Pressure-induced transformations in amorphous silicon: A computational study

Energy Technology Data Exchange (ETDEWEB)

Garcez, K. M. S., E-mail: kmgarcez@ufma.br [Universidade Federal do Maranhão, 65700-000 Bacabal, Maranhão (Brazil); Antonelli, A., E-mail: aantone@ifi.unicamp.br [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, UNICAMP, 13083-859 Campinas, São Paulo (Brazil)

2014-02-14

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

Pressure-induced transformations in amorphous silicon: A computational study

Science.gov (United States)

Garcez, K. M. S.; Antonelli, A.

2014-02-01

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

The photoexcitation of crystalline ice and amorphous solid water: A molecular dynamics study of outcomes at 11 K and 125 K

Energy Technology Data Exchange (ETDEWEB)

Crouse, J.; Loock, H.-P., E-mail: hploock@chem.queensu.ca; Cann, N. M., E-mail: ncann@chem.queensu.ca [Department of Chemistry, Queen’s University, Kingston, Ontario K7L 3N6 (Canada)

2015-07-21

Photoexcitation of crystalline ice Ih and amorphous solid water at 7-9 eV is examined using molecular dynamics simulations and a fully flexible water model. The probabilities of photofragment desorption, trapping, and recombination are examined for crystalline ice at 11 K and at 125 K and for amorphous solid water at 11 K. For 11 K crystalline ice, a fully rigid water model is also employed for comparison. The kinetic energy of desorbed H atoms and the distance travelled by trapped fragments are correlated to the location and the local environment of the photoexcited water molecule. In all cases, H atom desorption is found to be the most likely outcome in the top bilayer while trapping of all photofragments is most probable deeper in the solid where the likelihood for recombination of the fragments into H{sub 2}O molecules also rises. Trajectory analysis indicates that the local hydrogen bonding network in amorphous solid water is more easily distorted by a photodissociation event compared to crystalline ice. Also, simulations indicate that desorption of OH radicals and H{sub 2}O molecules are more probable in amorphous solid water. The kinetic energy distributions for desorbed H atoms show a peak at high energy in crystalline ice, arising from photoexcited water molecules in the top monolayer. This peak is less pronounced in amorphous solid water. H atoms that are trapped may be displaced by up to ∼10 water cages, but migrate on average 3 water cages. Trapped OH fragments tend to stay near the original solvent cage.

Kinetics of the high- to low-density amorphous water transition

International Nuclear Information System (INIS)

Koza, M M; Schober, H; Fischer, H E; Hansen, T; Fujara, F

2003-01-01

In situ neutron diffraction experiments have been carried out to study the kinetics of the transformation of high-density amorphous (HDA) water into its low-density amorphous state at temperatures 87 K ≤ T ≤ 110 K. It is found that three different stages are comprised in this transformation, namely an annealing process of the high-density matrix followed by a first-order-like transition into a low-density state, which can be further annealed at higher temperatures T ≤ 127 K. The annealing kinetics of the HDA state follows the logarithm of time as found in other systems showing polyamorphism. According to the theory of transformation by nucleation and growth the apparent first-order transition follows an Avrami-Kolmogorov behaviour. An energy barrier ΔE ∼ 33 k Jmol -1 is estimated from the temperature dependence of this transition

Meltwater storage in low-density near-surface bare ice in the Greenland ice sheet ablation zone

Science.gov (United States)

Cooper, Matthew G.; Smith, Laurence C.; Rennermalm, Asa K.; Miège, Clément; Pitcher, Lincoln H.; Ryan, Jonathan C.; Yang, Kang; Cooley, Sarah W.

2018-03-01

We document the density and hydrologic properties of bare, ablating ice in a mid-elevation (1215 m a.s.l.) supraglacial internally drained catchment in the Kangerlussuaq sector of the western Greenland ice sheet. We find low-density (0.43-0.91 g cm-3, μ = 0.69 g cm-3) ice to at least 1.1 m depth below the ice sheet surface. This near-surface, low-density ice consists of alternating layers of water-saturated, porous ice and clear solid ice lenses, overlain by a thin (sheet ablation zone surface. A conservative estimate for the ˜ 63 km2 supraglacial catchment yields 0.009-0.012 km3 of liquid meltwater storage in near-surface, porous ice. Further work is required to determine if these findings are representative of broader areas of the Greenland ice sheet ablation zone, and to assess the implications for sub-seasonal mass balance processes, surface lowering observations from airborne and satellite altimetry, and supraglacial runoff processes.

Formation of ice XII at low temperatures and high pressures

International Nuclear Information System (INIS)

Schober, H.; Koza, M.; Toelle, A.; Fujara, F.

1999-01-01

Complete text of publication follows. Solid water features a large variety of crystalline as well as two amorphous phases. The versatility of water's behavior has been reinforced recently by the identification of still another form of crystalline ice [1]. Ice XII was obtained by cooling liquid water to 260 K at a pressure of 5.5 kbar. Ice XII could be produced in a completely different region of water's phase diagram [2]. Using a. piston-cylinder apparatus ice XII was formed during the production of high-density amorphous ice (HDA) at 77 K as described previously [3]. The amount of crystalline ice XII contamination within the HDA sample varies in a so far unpredictable way with both extremes, i.e. pure HDA as well as pure ice XII. realized. Our results indicate that water's phase diagram needs modification in the region assigned to HDA. Ice XII is characterized as well as its transition towards cubic ice by elastic and inelastic neutron scattering. (author)

Density of states in Mo-Ru amorphous alloys

International Nuclear Information System (INIS)

Miyakawa, W.

1985-01-01

The density of states is calculated for several compositions of amorphous Mo 1-x Ru x . In order to simulate amorphous clusters, the structures (atomic positions) utilized in the calculations were built from a small dense randomly packed unit of hard spheres with periodic boundary conditions. The density of states is calculated from a tight-binding Hamiltonian with hopping integrals parametrized in terms of the ddσ, ddΠ and ddδ molecular integrals. The results for pure Mo and pure Ru, compared in the canonical band aproximation, agree well with the literature. For binary alloys, the comparison of the calculated density of states with the rigid band aproximation results indicates that a more complex approach than the rigid band model must be used, even when the two atoms have similar bands, with band centers at nearly the same energy. The results also indicate that there is no relation between the peak in the superconducting critical temperature as a function of the number of valence eletrons per atom (e/a) in the region near Mo(e/a=6) and the peak of the density of states at the Fermi level in the same region, as has been sugested by some authors. (Author) [pt

Kinetic boundaries and phase transformations of ice i at high pressure

Science.gov (United States)

Wang, Yu; Zhang, Huichao; Yang, Xue; Jiang, Shuqing; Goncharov, Alexander F.

2018-01-01

Raman spectroscopy in diamond anvil cells has been employed to study phase boundaries and transformation kinetics of H2O ice at high pressures up to 16 GPa and temperatures down to 15 K. Ice i formed at nearly isobaric cooling of liquid water transforms on compression to high-density amorphous (HDA) ice at 1.1-3 GPa at 15-100 K and then crystallizes in ice vii with the frozen-in disorder (ice vii') which remains stable up to 14.1 GPa at 80 K and 15.9 GPa at 100 K. Unexpectedly, on decompression of ice vii', it transforms to ice viii in its domain of metastability, and then it relaxes into low-density amorphous (LDA) ice on a subsequent pressure release and warming up. On compression of ice i at 150-170 K, ice ix is crystallized and no HDA ice is found; further compression of ice ix results in the sequential phase transitions to stable ices vi and viii. Cooling ice i to 210 K at 0.3 GPa transforms it to a stable ice ii. Our extensive investigations provide previously missing information on the phase diagram of water, especially on the kinetic paths that result in formation of phases which otherwise are not accessible; these results are keys for understanding the phase relations including the formation of metastable phases. Our observations inform on the ice modifications that can occur naturally in planetary environments and are not accessible for direct observations.

Influence of isotopic disorder on solid state amorphization and polyamorphism in solid H2O -D2O solutions

Science.gov (United States)

Gromnitskaya, E. L.; Danilov, I. V.; Lyapin, A. G.; Brazhkin, V. V.

2015-10-01

We present a low-temperature and high-pressure ultrasonic study of elastic properties of isotopic H2O-D2O solid solutions, comparing their properties with those of the isotopically pure H2O and D2O ices. Measurements were carried out for solid state amorphization (SSA) from 1h to high-density amorphous (HDA) ice upon compression up to 1.8 GPa at 77 K and for the temperature-induced (77 -190 K ) u-HDA (unrelaxed HDA) → e-HDA (expanded HDA) → low-density amorphous (LDA )→1 c cascade of ice transformations near room pressure. There are many similarities in the elasticity behaviour of H2O ,D2O , and H2O-D2O solid solutions, including the softening of the shear elastic modulus as a precursor of SSA and the HDA →LDA transition. We have found significant isotopic effects during H/D substitution, including elastic softening of H2O -D2O solid solutions with respect to the isotopically pure ices in the case of the bulk moduli of ices 1c and 1h and for both bulk and shear elastic moduli of HDA ice at high pressures (>1 GPa ) . This softening is related to the configurational isotopic disorder in the solid solutions. At low pressures, the isotope concentration dependence of the elastic moduli of u-HDA ice changes remarkably and becomes monotonic with pronounced change of the bulk modulus (≈20 %) .

Constraining variable density of ice shelves using wide-angle radar measurements

Science.gov (United States)

Drews, Reinhard; Brown, Joel; Matsuoka, Kenichi; Witrant, Emmanuel; Philippe, Morgane; Hubbard, Bryn; Pattyn, Frank

2016-04-01

The thickness of ice shelves, a basic parameter for mass balance estimates, is typically inferred using hydrostatic equilibrium, for which knowledge of the depth-averaged density is essential. The densification from snow to ice depends on a number of local factors (e.g., temperature and surface mass balance) causing spatial and temporal variations in density-depth profiles. However, direct measurements of firn density are sparse, requiring substantial logistical effort. Here, we infer density from radio-wave propagation speed using ground-based wide-angle radar data sets (10 MHz) collected at five sites on Roi Baudouin Ice Shelf (RBIS), Dronning Maud Land, Antarctica. We reconstruct depth to internal reflectors, local ice thickness, and firn-air content using a novel algorithm that includes traveltime inversion and ray tracing with a prescribed shape of the depth-density relationship. For the particular case of an ice-shelf channel, where ice thickness and surface slope change substantially over a few kilometers, the radar data suggest that firn inside the channel is about 5 % denser than outside the channel. Although this density difference is at the detection limit of the radar, it is consistent with a similar density anomaly reconstructed from optical televiewing, which reveals that the firn inside the channel is 4.7 % denser than that outside the channel. Hydrostatic ice thickness calculations used for determining basal melt rates should account for the denser firn in ice-shelf channels. The radar method presented here is robust and can easily be adapted to different radar frequencies and data-acquisition geometries.

Small scale variability of snow density on Antarctic sea ice

Science.gov (United States)

Wever, N.; Leonard, K. C.; Paul, S.; Jacobi, H. W.; Proksch, M.; Lehning, M.

2016-12-01

Snow on sea ice plays an important role in air-ice-sea interactions. For example, snow may smooth the ice surface when snow drift is occurring, while at the same time it may also generate roughness elements by interactions with the wind. Snow density is a key property in many processes, for example by influencing the thermal conductivity of the snow layer, radiative transfer inside the snow as well as the effects of aerodynamic forcing on the snowpack. We present data from an in-situ measurement campaign in the Weddell Sea during two subsequent cruises of RV Polarstern. By comparing snow density from snow pits and snow micro penetrometer (SMP) measurements, augmented by terrestrial laser scanning (TLS) on an area of 50x50 m2, highly resolved density profiles and surface topology were acquired at a horizontal resolution of approximately 30 cm. Average snow densities are about 280 kg/m3, but the analysis also reveals a high spatial variability in snow density on sea ice in both horizontal and vertical direction, ranging from roughly 170 to 360 kg/m3. This variability is expressed by coherent snow structures over several meters, which disappear over larger distances. A comparison with TLS data indicates that the spatial variability is related to deviations in surface topology. This suggests a strong influence from surface processes, for example wind, on the temporal development of density profiles. The fundamental relationship between density variations, surface roughness and changes therein as investigated in this study are interpreted with respect to larger-scale ice-movement and the ice mass balance.

Carbon Monoxide Hydrogenation on Ice Surfaces.

Science.gov (United States)

Kuwahata, Kazuaki; Ohno, Kaoru

2018-03-14

We have performed density functional calculations to investigate the carbon monoxide hydrogenation reaction (H+CO→HCO), which is important in interstellar clouds. We found that the activation energy of the reaction on amorphous ice is lower than that on crystalline ice. In the course of this study, we demonstrated that it is roughly possible to use the excitation energy of the reactant molecule (CO) in place of the activation energy. This relationship holds also for small water clusters at the CCSD level of calculation and the two-layer-level ONIOM (CCSD : X3LYP) calculation. Generally, since it is computationally demanding to estimate activation energies of chemical reactions in a circumstance of many water molecules, this relationship enables one to determine the activation energy of this reaction on ice surfaces from the knowledge of the excitation energy of CO only. Incorporating quantum-tunneling effects, we discuss the reaction rate on ice surfaces. Our estimate that the reaction rate on amorphous ice is almost twice as large as that on crystalline ice is qualitatively consistent with the experimental evidence reported by Hidaka et al. [Chem. Phys. Lett., 2008, 456, 36.]. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Radiation effects in ice: New results

International Nuclear Information System (INIS)

Baragiola, R.A.; Fama, M.; Loeffler, M.J.; Raut, U.; Shi, J.

2008-01-01

Studies of radiation effects in ice are motivated by intrinsic interest and by applications in astronomy. Here we report on new and recent results on radiation effects induced by energetic ions in ice: amorphization of crystalline ice, compaction of microporous amorphous ice, electrostatic charging and dielectric breakdown and correlated structural/chemical changes in the irradiation of water-ammonia ices

OPTICAL CONSTANTS AND BAND STRENGTHS OF CH4:C2H6 ICES IN THE NEAR- AND MID-INFRARED

International Nuclear Information System (INIS)

Molpeceres, Germán; Ortigoso, Juan; Escribano, Rafael; Maté, Belén; Satorre, Miguel Angel; Millán, Carlos

2016-01-01

We present a spectroscopic study of methane–ethane ice mixtures. We have grown CH 4 :C 2 H 6 mixtures with ratios 3:1, 1:1, and 1:3 at 18 and 30 K, plus pure methane and ethane ices, and have studied them in the near-infrared (NIR) and mid-infrared (MIR) ranges. We have determined densities of all species mentioned above. For amorphous ethane grown at 18 and 30 K we have obtained a density of 0.41 and 0.54 g cm −3 , respectively, lower than a previous measurement of the density of the crystalline species, 0.719 g cm −3 . As far as we know this is the first determination of the density of amorphous ethane ice. We have measured band shifts of the main NIR methane and ethane features in the mixtures with respect to the corresponding values in the pure ices. We have estimated band strengths of these bands in the NIR and MIR ranges. In general, intensity decay in methane modes was detected in the mixtures, whereas for ethane no clear tendency was observed. Optical constants of the mixtures at 30 and 18 K have also been evaluated. These values can be used to trace the presence of these species in the surface of trans-Neptunian objects. Furthermore, we have carried out a theoretical calculation of these ice mixtures. Simulation cells for the amorphous solids have been constructed using a Metropolis Monte Carlo procedure. Relaxation of the cells and prediction of infrared spectra have been carried out at density functional theory level.

Relationship between defect density and charge carrier transport in amorphous and microcrystalline silicon

International Nuclear Information System (INIS)

Astakhov, Oleksandr; Carius, Reinhard; Finger, Friedhelm; Petrusenko, Yuri; Borysenko, Valery; Barankov, Dmytro

2009-01-01

The influence of dangling-bond defects and the position of the Fermi level on the charge carrier transport properties in undoped and phosphorous doped thin-film silicon with structure compositions all the way from highly crystalline to amorphous is investigated. The dangling-bond density is varied reproducibly over several orders of magnitude by electron bombardment and subsequent annealing. The defects are investigated by electron-spin-resonance and photoconductivity spectroscopies. Comparing intrinsic amorphous and microcrystalline silicon, it is found that the relationship between defect density and photoconductivity is different in both undoped materials, while a similar strong influence of the position of the Fermi level on photoconductivity via the charge carrier lifetime is found in the doped materials. The latter allows a quantitative determination of the value of the transport gap energy in microcrystalline silicon. The photoconductivity in intrinsic microcrystalline silicon is, on one hand, considerably less affected by the bombardment but, on the other hand, does not generally recover with annealing of the defects and is independent from the spin density which itself can be annealed back to the as-deposited level. For amorphous silicon and material prepared close to the crystalline growth regime, the results for nonequilibrium transport fit perfectly to a recombination model based on direct capture into neutral dangling bonds over a wide range of defect densities. For the heterogeneous microcrystalline silicon, this model fails completely. The application of photoconductivity spectroscopy in the constant photocurrent mode (CPM) is explored for the entire structure composition range over a wide variation in defect densities. For amorphous silicon previously reported linear correlation between the spin density and the subgap absorption is confirmed for defect densities below 10 18 cm -3 . Beyond this defect level, a sublinear relation is found i.e., not

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.

PHOTOMETRIC MEASUREMENTS OF H{sub 2}O ICE CRYSTALLINITY ON TRANS-NEPTUNIAN OBJECTS

Energy Technology Data Exchange (ETDEWEB)

Terai, Tsuyoshi [Subaru Telescope, National Astronomical Observatory of Japan, 650 North A‘ohoku Place, Hilo, HI 96720 (United States); Itoh, Yoichi [Center for Astronomy, University of Hyogo, 407-2 Nishigaichi, Sayo-cho, Sayo-gun, Hyogo 679-5313 (Japan); Oasa, Yumiko [Faculty of Education, Saitama University, 255 Shimo-Okubo, Sakura, Saitama 338-8570 (Japan); Furusho, Reiko; Watanabe, Junichi, E-mail: tsuyoshi.terai@nao.ac.jp [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan)

2016-08-10

We present a measurement of H{sub 2}O 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 μ m absorption feature in crystalline H{sub 2}O ice. Our data for three large objects—Haumea, Quaoar, and Orcus—which are known to contain crystalline H{sub 2}O 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 H{sub 2}O ice is larger than ∼20 μ m, 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 H{sub 2}O 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 H{sub 2}O ice on Typhon and 2008 AP{sub 129}, 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.

Density changes in amorphous Pd80Si20 during low temperature ion irradiation

International Nuclear Information System (INIS)

Schumacher, G.; Birtcher, R.C.; Rehn, L.E.

1994-11-01

Density changes in amorphous Pd 80 Si 20 during ion irradiation below 100K were detected by in situ HVEM measurements of the changes in specimen length as a function of ion fluence. A decrease in mass density as a function of the ion fluence was observed. The saturation value of the change in mass density was determined to be approximately -1.2%

Kinetic Monte Carlo simulations of water ice porosity: extrapolations of deposition parameters from the laboratory to interstellar space

Science.gov (United States)

Clements, Aspen R.; Berk, Brandon; Cooke, Ilsa R.; Garrod, Robin T.

2018-02-01

Using an off-lattice kinetic Monte Carlo model we reproduce experimental laboratory trends in the density of amorphous solid water (ASW) for varied deposition angle, rate and surface temperature. Extrapolation of the model to conditions appropriate to protoplanetary disks and interstellar dark clouds indicate that these ices may be less porous than laboratory ices.

Thermal desorption of formamide and methylamine from graphite and amorphous water ice surfaces

Science.gov (United States)

Chaabouni, H.; Diana, S.; Nguyen, T.; Dulieu, F.

2018-04-01

Context. Formamide (NH2CHO) and methylamine (CH3NH2) are known to be the most abundant amine-containing molecules in many astrophysical environments. The presence of these molecules in the gas phase may result from thermal desorption of interstellar ices. Aims: The aim of this work is to determine the values of the desorption energies of formamide and methylamine from analogues of interstellar dust grain surfaces and to understand their interaction with water ice. Methods: Temperature programmed desorption (TPD) experiments of formamide and methylamine ices were performed in the sub-monolayer and monolayer regimes on graphite (HOPG) and non-porous amorphous solid water (np-ASW) ice surfaces at temperatures 40-240 K. The desorption energy distributions of these two molecules were calculated from TPD measurements using a set of independent Polanyi-Wigner equations. Results: The maximum of the desorption of formamide from both graphite and ASW ice surfaces occurs at 176 K after the desorption of H2O molecules, whereas the desorption profile of methylamine depends strongly on the substrate. Solid methylamine starts to desorb below 100 K from the graphite surface. Its desorption from the water ice surface occurs after 120 K and stops during the water ice sublimation around 150 K. It continues to desorb from the graphite surface at temperatures higher than160 K. Conclusions: More than 95% of solid NH2CHO diffuses through the np-ASW ice surface towards the graphitic substrate and is released into the gas phase with a desorption energy distribution Edes = 7460-9380 K, which is measured with the best-fit pre-exponential factor A = 1018 s-1. However, the desorption energy distribution of methylamine from the np-ASW ice surface (Edes = 3850-8420 K) is measured with the best-fit pre-exponential factor A = 1012 s-1. A fraction of solid methylamine monolayer of roughly 0.15 diffuses through the water ice surface towards the HOPG substrate. This small amount of methylamine

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...

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.

Influence of pressure on the structural properties of liquid D{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Bellissent-Funel, M.C.

1994-12-31

Results about the structure of liquid water under pressure and using neutron diffraction are presented. The structural data are compared with that of low density amorphous ice (LDA) and of high density amorphous ice (HDA). The low density amorphous ice which is well accounted for a continuous random network model appears as the limit of deeply supercooled water while the high density amorphous ice which is a more disordered form of ice appears as the limit of water under high pressure and at high temperature. (author). 29 refs., 6 figs.

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).

Defect hydrogen vibrations in various phases deuterium ice

International Nuclear Information System (INIS)

Li, J.C.; Wang, Y.; Dong, S.L.; Zhang, P.; Kolesnikov, A.I.

2003-01-01

The inelastic incoherent neutron scattering spectra of D 2 O mixed with a small amount of H 2 O (5% by weight) high density amorphous (hda) ice, ice-VIII, and ice-II have been measured on HET spectrometer at Rutherford Appleton Laboratory (UK). The hydrogen atom in D 2 O ice lattice has three distinguished vibrations: two modes normal to the O---H bond at lower frequency and a stretching mode along the O-H bond at higher frequency. For different ice phases these frequencies are different, it was found that the lower defect mode is at ∼97 meV for ice-II, at about 95 meV for hda-ice and ice-VIII, and they are all lower than the value of 105 meV for ice-Ih. The O-H stretching modes are at 415 meV for ice-II, at 418 meV for hda-ice, and at 425 meV for ice-VIII, which all are much larger than the value for ice-Ih, 406 meV. It was also found that O-D stretching modes in D 2 O ice-VIII is centered at ∼320 meV which is significantly higher than the corresponding value of ∼305 meV for ice-Ih

Ferroelectricity in high-density H{sub 2}O ice

Energy Technology Data Exchange (ETDEWEB)

Caracas, Razvan, E-mail: razvan.caracas@ens-lyon.fr, E-mail: rhemley@ciw.edu [CNRS, Laboratoire de Géologie de Lyon UMR5276, Ecole Normale Supérieure de Lyon, 46, alleé d’Italie, Université Claude-Bernard Lyon 1, Université de Lyon, 69364 Lyon cedex 07 (France); Hemley, Russell J., E-mail: razvan.caracas@ens-lyon.fr, E-mail: rhemley@ciw.edu [Geophysical Laboratory, 5251 Broad Branch Road NW, Carnegie Institution of Washington, Washington, DC 20015 (United States)

2015-04-07

The origin of longstanding anomalies in experimental studies of the dense solid phases of H{sub 2}O ices VII, VIII, and X is examined using a combination of first-principles theoretical methods. We find that a ferroelectric variant of ice VIII is energetically competitive with the established antiferroelectric form under pressure. The existence of domains of the ferroelectric form within anti-ferroelectric ice can explain previously observed splittings in x-ray diffraction data. The ferroelectric form is stabilized by density and is accompanied by the onset of spontaneous polarization. The presence of local electric fields triggers the preferential parallel orientation of the water molecules in the structure, which could be stabilized in bulk using new high-pressure techniques.

Melting and Pressure-Induced Amorphization of Quartz

OpenAIRE

Badro, James; Gillet, Philippe; Barrat, Jean-Louis

1997-01-01

It has recently been shown that amorphization and melting of ice were intimately linked. In this letter, we infer from molecular dynamics simulations on the SiO2 system that the extension of the quartz melting line in the metastable pressure-temperature domain is the pressure-induced amorphization line. It seems therefore likely that melting is the physical phenomenon responsible for pressure induced amorphization. Moreover, we show that the structure of a "pressure glass" is similar to that ...

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.

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

Science.gov (United States)

Hudait, Arpa; Molinero, Valeria

2014-06-04

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

Density model for medium range order in amorphous materials: application to small angle scattering

International Nuclear Information System (INIS)

Boucher, B.; Tournarie, M.; Chieux, P.; Convert, P.

1983-06-01

We consider a family of randomly spaced parallel planes, each plane dressed with a density function, h(x), where x is the distance from the plane. An expression for the volume scattering power from a system of N such families with random orientations in space is derived from Fourier transform of h(x), which can subsequently be determined from experimental observations. This density model is used to interpret the small angle neutron scattering (SANS) results for the amorphous alloy TbCusub(3.54)

A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

Directory of Open Access Journals (Sweden)

Robert S. Fausto

2018-05-01

Full Text Available The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has an insignificant annual air temperature dependency. We demonstrate that two widely-used surface snow density parameterizations dependent on temperature systematically overestimate surface snow density over the Greenland ice sheet by 17–19%, and that using a constant density of 315 kg m−3 may give superior results when applied in surface mass budget modeling.

A new temperature and humidity dependent surface site density approach for deposition ice nucleation

OpenAIRE

I. Steinke; C. Hoose; O. Möhler; P. Connolly; T. Leisner

2014-01-01

Deposition nucleation experiments with Arizona Test Dust (ATD) as a surrogate for mineral dusts were conducted at the AIDA cloud chamber at temperatures between 220 and 250 K. The influence of the aerosol size distribution and the cooling rate on the ice nucleation efficiencies was investigated. Ice nucleation active surface site (INAS) densities were calculated to quantify the ice nucleation efficiency as a function of temperature, humidity and the aerosol ...

Inter-annual Variations in Snow/Firn Density over the Greenland Ice Sheet by Combining GRACE gravimetry and Envisat Altimetry

Science.gov (United States)

Su, X.; Shum, C. K.; Guo, J.; Howat, I.; Jezek, K. C.; Luo, Z.; Zhou, Z.

2017-12-01

Satellite altimetry has been used to monitor elevation and volume change of polar ice sheets since the 1990s. In order to derive mass change from the measured volume change, different density assumptions are commonly used in the research community, which may cause discrepancies on accurately estimating ice sheets mass balance. In this study, we investigate the inter-annual anomalies of mass change from GRACE gravimetry and elevation change from Envisat altimetry during years 2003-2009, with the objective of determining inter-annual variations of snow/firn density over the Greenland ice sheet (GrIS). High positive correlations (0.6 or higher) between these two inter-annual anomalies at are found over 93% of the GrIS, which suggests that both techniques detect the same geophysical process at the inter-annual timescale. Interpreting the two anomalies in terms of near surface density variations, over 80% of the GrIS, the inter-annual variation in average density is between the densities of snow and pure ice. In particular, at the Summit of Central Greenland, we validate the satellite data estimated density with the in situ data available from 75 snow pits and 9 ice cores. This study provides constraints on the currently applied density assumptions for the GrIS.

A Snow Density Dataset for Improving Surface Boundary Conditions in Greenland Ice Sheet Firn Modeling

DEFF Research Database (Denmark)

S. Fausto, Robert; E. Box, Jason; Vandecrux, Baptiste Robert Marcel

2018-01-01

The surface snow density of glaciers and ice sheets is of fundamental importance in converting volume to mass in both altimetry and surface mass balance studies, yet it is often poorly constrained. Site-specific surface snow densities are typically derived from empirical relations based...... on temperature and wind speed. These parameterizations commonly calculate the average density of the top meter of snow, thereby systematically overestimating snow density at the actual surface. Therefore, constraining surface snow density to the top 0.1 m can improve boundary conditions in high-resolution firn......-evolution modeling. We have compiled an extensive dataset of 200 point measurements of surface snow density from firn cores and snow pits on the Greenland ice sheet. We find that surface snow density within 0.1 m of the surface has an average value of 315 kg m−3 with a standard deviation of 44 kg m−3, and has...

Crystalline and amorphous H2O on Charon

Science.gov (United States)

Dalle Ore, Cristina M.; Cruikshank, Dale P.; Grundy, Will M.; Ennico, Kimberly; Olkin, Catherine B.; Stern, S. Alan; Young, Leslie A.; Weaver, Harold A.

2015-11-01

Charon, the largest satellite of Pluto, is a gray-colored icy world covered mostly in H2O ice, with spectral evidence for NH3, as previously reported (Cook et al. 2007, Astrophys. J. 663, 1406-1419 Merlin, et al. 2010, Icarus, 210, 930; Cook, et al. 2014, AAS/Division for Planetary Sciences Meeting Abstracts, 46, #401.04). Images from the New Horizons spacecraft reveal a surface with terrains of widely different ages and a moderate degree of localized coloration. The presence of H2O ice in its crystalline form (Brown & Calvin 2000 Science 287, 107-109; Buie & Grundy 2000 Icarus 148, 324-339; Merlin et al, 2010) along with NH3 is consistent with a fresh surface.The phase of H2O ice is a key tracer of variations in temperature and physical conditions on the surface of outer Solar System objects. At Charon’s surface temperature H2O is expected to be amorphous, but ground-based observations (e.g., Merlin et al. 2010) show a clearly crystalline signature. From laboratory experiments it is known that amorphous H2O ice becomes crystalline at temperatures of ~130 K. Other mechanisms that can change the phase of the ice from amorphous to crystalline include micro-meteoritic bombardment (Porter et al. 2010, Icarus, 208, 492) or resurfacing processes such as cryovolcanism.New Horizons observed Charon with the LEISA imaging spectrometer, part of the Ralph instrument (Reuter, D.C., Stern, S.A., Scherrer, J., et al. 2008, Space Science Reviews, 140, 129). Making use of high spatial resolution (better than 10 km/px) and spectral resolving power of 240 in the wavelength range 1.25-2.5 µm, and 560 in the range 2.1-2.25 µm, we report on an analysis of the phase of H2O ice on parts of Charon’s surface with a view to investigate the recent history and evolution of this small but intriguing object.This work was supported by NASA’s New Horizons project.

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.

Interaction of D2 with H2O amorphous ice studied by temperature-programmed desorption experiments.

Science.gov (United States)

Amiaud, L; Fillion, J H; Baouche, S; Dulieu, F; Momeni, A; Lemaire, J L

2006-03-07

The gas-surface interaction of molecular hydrogen D2 with a thin film of porous amorphous solid water (ASW) grown at 10 K by slow vapor deposition has been studied by temperature-programmed-desorption (TPD) experiments. Molecular hydrogen diffuses rapidly into the porous network of the ice. The D2 desorption occurring between 10 and 30 K is considered here as a good probe of the effective surface of ASW interacting with the gas. The desorption kinetics have been systematically measured at various coverages. A careful analysis based on the Arrhenius plot method has provided the D2 binding energies as a function of the coverage. Asymmetric and broad distributions of binding energies were found, with a maximum population peaking at low energy. We propose a model for the desorption kinetics that assumes a complete thermal equilibrium of the molecules with the ice film. The sample is characterized by a distribution of adsorption sites that are filled according to a Fermi-Dirac statistic law. The TPD curves can be simulated and fitted to provide the parameters describing the distribution of the molecules as a function of their binding energy. This approach contributes to a correct description of the interaction of molecular hydrogen with the surface of possibly porous grain mantles in the interstellar medium.

A New Approach to Modeling Densities and Equilibria of Ice and Gas Hydrate Phases

Science.gov (United States)

Zyvoloski, G.; Lucia, A.; Lewis, K. C.

2011-12-01

The Gibbs-Helmholtz Constrained (GHC) equation is a new cubic equation of state that was recently derived by Lucia (2010) and Lucia et al. (2011) by constraining the energy parameter in the Soave form of the Redlich-Kwong equation to satisfy the Gibbs-Helmholtz equation. The key attributes of the GHC equation are: 1) It is a multi-scale equation because it uses the internal energy of departure, UD, as a natural bridge between the molecular and bulk phase length scales. 2) It does not require acentric factors, volume translation, regression of parameters to experimental data, binary (kij) interaction parameters, or other forms of empirical correlations. 3) It is a predictive equation of state because it uses a database of values of UD determined from NTP Monte Carlo simulations. 4) It can readily account for differences in molecular size and shape. 5) It has been successfully applied to non-electrolyte mixtures as well as weak and strong aqueous electrolyte mixtures over wide ranges of temperature, pressure and composition to predict liquid density and phase equilibrium with up to four phases. 6) It has been extensively validated with experimental data. 7) The AAD% error between predicted and experimental liquid density is 1% while the AAD% error in phase equilibrium predictions is 2.5%. 8) It has been used successfully within the subsurface flow simulation program FEHM. In this work we describe recent extensions of the multi-scale predictive GHC equation to modeling the phase densities and equilibrium behavior of hexagonal ice and gas hydrates. In particular, we show that radial distribution functions, which can be determined by NTP Monte Carlo simulations, can be used to establish correct standard state fugacities of 1h ice and gas hydrates. From this, it is straightforward to determine both the phase density of ice or gas hydrates as well as any equilibrium involving ice and/or hydrate phases. A number of numerical results for mixtures of N2, O2, CH4, CO2, water

Identifying low and high density amorphous phases during zeolite amorphisation using small and wide angle X-ray scattering

International Nuclear Information System (INIS)

Meneau, F.; Greaves, G.N.

2005-01-01

In situ experiments following the thermal amorphisation of zeolites reveal massive increases in small angle X-ray scattering (SAXS), persisting well beyond the stage where wide angle X-ray scattering (WAXS) can detect that any crystalline phase is present. This heterogeneity in the amorphised phase is attributed to the transition from a low density amorphous phase (LDA) to a high density amorphous phase (HDA) at the glass transition. The fractions of zeolite, LDA and HDA phases obtained from SAXS analysis are discussed in the context of non-linear changes detected in 29 Si solid state NMR during zeolite amorphisation. Whilst the HDA phase is chemically disordered, the LDA phase exhibits much of the Al-Si ordering present in the starting zeolite. These findings are considered in the context of perfect glasses predicted to occur when super strong liquids are supercooled

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

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

Radiation Effects in Hydrogen-Laden Porous Water Ice Films: Implications for Interstellar Ices

Science.gov (United States)

Raut, Ujjwal; Baragiola, Raul; Mitchell, Emma; Shi, Jianming

H _{2} is the dominant gas in the dense clouds of the interstellar medium (ISM). At densities of 10 (5) cm (-3) , an H _{2} molecule arrives at the surface of a 0.1 mum-sized, ice-covered dust grain once every few seconds [1]. At 10 K, H _{2} can diffuse into the pores of the ice mantle and adsorb at high-energy binding sites, loading the ice with hydrogen over the lifetime of the cloud. These icy grains are also impacted by galactic cosmic rays and stellar winds (in clouds with embedded protostar). Based on the available cosmic proton flux spectrum [2], we estimate a small impact rate of nearly 1 hit per year on a 0.1 μm sized grain, or 10 (-7) times the impact frequency of the neutral H _{2}. The energy deposited by such impacts can release the adsorbed H _{2} into the gas phase (impact desorption or sputtering). Recently, we have reported on a new process of ion-induced enhanced adsorption, where molecules from the gas phase are incorporated into the film when irradiation is performed in the presence of ambient gas [3]. The interplay between ion-induced ejection and adsorption can be important in determining the gas-solid balance in the ISM. To understand the effects of cosmic rays/stellar winds impacts on interstellar ice immersed in H _{2} gas, we have performed irradiation of porous amorphous ice films loaded with H _{2} through co-deposition or adsorption following growth. The irradiations were performed with 100 keV H (+) using fluxes of 10 (10) -10 (12) H (+) cm (-2) s (-1) at 7 K, in presence of ambient H _{2} at pressures ranging from 10 (-5) to 10 (-8) Torr. Our initial results show a net loss in adsorbed H _{2} during irradiation, from competing ion-induced ejection and adsorption. The H _{2} loss per ion decreases exponentially with fluence, with a cross-section of 10 (-13) cm (2) . In addition to hydrogen removal, irradiation also leads to trapping of H _{2} in the ice film, from closing of the pores during irradiation [4]. As a result, 2.6 percent

The Structure of Liquid and Amorphous Hafnia

Directory of Open Access Journals (Sweden)

Leighanne C. Gallington

2017-11-01

Full Text Available Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf–O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that show density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf–Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf–Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO6,7 polyhedra resembling that observed in the monoclinic phase.

Agglomeration of amorphous silicon film with high energy density excimer laser irradiation

International Nuclear Information System (INIS)

He Ming; Ishihara, Ryoichi; Metselaar, Wim; Beenakker, Kees

2007-01-01

In this paper, agglomeration phenomena of amorphous Si (α-Si) films due to high energy density excimer laser irradiation are systematically investigated. The agglomeration, which creates holes or breaks the continuous Si film up into spherical beads, is a type of serious damage. Therefore, it determines an upper energy limit for excimer laser crystallization. It is speculated that the agglomeration is caused by the boiling of molten Si. During this process, outbursts of heterogeneously nucleated vapor bubbles are promoted by the poor wetting property of molten silicon on the SiO 2 layer underneath. The onset of the agglomeration is defined by extrapolating the hole density as a function of the energy density of the laser pulse. A SiO 2 capping layer (CL) is introduced on top of the α-Si film to investigate its influence on the agglomeration. It is found that effects of the CL depend on its thickness. The CL with a thickness less than 300 nm can be used to suppress the agglomeration. A thin CL acts as a confining layer and puts a constraint on bubble burst, and hence suppresses the agglomeration

A COMPREHENSIVE STUDY OF HYDROGEN ADSORBING TO AMORPHOUS WATER ICE: DEFINING ADSORPTION IN CLASSICAL MOLECULAR DYNAMICS

Energy Technology Data Exchange (ETDEWEB)

Dupuy, John L.; Lewis, Steven P.; Stancil, P. C. [Department of Physics and Astronomy and the Center for Simulational Physics, University of Georgia, Athens, GA 30602 (United States)

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 (H{sub 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 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.

Heavy ion irradiation of crystalline water ice. Cosmic ray amorphisation cross-section and sputtering yield

Science.gov (United States)

Dartois, E.; Augé, B.; 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.

2015-04-01

Context. 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. Aims: 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. Methods: 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). Results: 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 stopping power. Conclusions: The final state of cosmic ray irradiation for porous amorphous and crystalline ice, as monitored by infrared spectroscopy, is the same, but with a large difference in cross-section, hence in time scale in an astrophysical context. The cosmic ray water-ice sputtering rates compete with the UV photodesorption yields reported in the literature. The prevalence of direct cosmic ray sputtering over cosmic-ray induced photons photodesorption may be particularly true for ices strongly bonded to the ice mantles surfaces, such as hydrogen-bonded ice structures or more generally the so-called polar ices. Experiments performed at the Grand Accélérateur National d'Ions Lourds (GANIL) Caen, France. Part of this work has been financed by the French INSU-CNRS programme "Physique et Chimie du Milieu Interstellaire" (PCMI) and the ANR IGLIAS.

Dust Density Distribution and Imaging Analysis of Different Ice Lines in Protoplanetary Disks

Energy Technology Data Exchange (ETDEWEB)

Pinilla, P. [Department of Astronomy/Steward Observatory, The University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Pohl, A. [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany); Stammler, S. M.; Birnstiel, T., E-mail: pinilla@email.arizona.edu [University Observatory, Faculty of Physics, Ludwig-Maximilians-Universität München, Scheinerstr. 1, D-81679 Münich (Germany)

2017-08-10

Recent high angular resolution observations of protoplanetary disks at different wavelengths have revealed several kinds of structures, including multiple bright and dark rings. Embedded planets are the most used explanation for such structures, but there are alternative models capable of shaping the dust in rings as it has been observed. We assume a disk around a Herbig star and investigate the effect that ice lines have on the dust evolution, following the growth, fragmentation, and dynamics of multiple dust size particles, covering from 1 μ m to 2 m sized objects. We use simplified prescriptions of the fragmentation velocity threshold, which is assumed to change radially at the location of one, two, or three ice lines. We assume changes at the radial location of main volatiles, specifically H{sub 2}O, CO{sub 2}, and NH{sub 3}. Radiative transfer calculations are done using the resulting dust density distributions in order to compare with current multiwavelength observations. We find that the structures in the dust density profiles and radial intensities at different wavelengths strongly depend on the disk viscosity. A clear gap of emission can be formed between ice lines and be surrounded by ring-like structures, in particular between the H{sub 2}O and CO{sub 2} (or CO). The gaps are expected to be shallower and narrower at millimeter emission than at near-infrared, opposite to model predictions of particle trapping. In our models, the total gas surface density is not expected to show strong variations, in contrast to other gap-forming scenarios such as embedded giant planets or radial variations of the disk viscosity.

Antarctic krill under sea ice: elevated abundance in a narrow band just south of ice edge.

Science.gov (United States)

Brierley, Andrew S; Fernandes, Paul G; Brandon, Mark A; Armstrong, Frederick; Millard, Nicholas W; McPhail, Steven D; Stevenson, Peter; Pebody, Miles; Perrett, James; Squires, Mark; Bone, Douglas G; Griffiths, Gwyn

2002-03-08

We surveyed Antarctic krill (Euphausia superba) under sea ice using the autonomous underwater vehicle Autosub-2. Krill were concentrated within a band under ice between 1 and 13 kilometers south of the ice edge. Within this band, krill densities were fivefold greater than that of open water. The under-ice environment has long been considered an important habitat for krill, but sampling difficulties have previously prevented direct observations under ice over the scale necessary for robust krill density estimation. Autosub-2 enabled us to make continuous high-resolution measurements of krill density under ice reaching 27 kilometers beyond the ice edge.

Dependence of the saturated light-induced defect density on macroscopic properties of hydrogenated amorphous silicon

OpenAIRE

Park, H. R.; Liu, J. Z.; Roca i Cabarrocas, P.; Maruyama, A.; Isomura, M.; Wagner, S.; Abelson, J. R.; Finger, F.

2008-01-01

We report a study of the saturated light-induced defect density Ns,sat in 37 hydrogenated (and in part fluorinated) amorphous silicon [a-Si:H(F)] films grown in six different reactors under widely different conditions. Ns,sat was attained by exposing the films to light from a krypton ion laser (λ=647.1 nm). Ns,sat is determined by the constant photocurrent method and lies between 5×1016 and 2×1017 cm−3. Ns,sat drops with decreasing optical gap Eopt and hydrogen content cH, but is not correlat...

Structure, thermodynamics, and crystallization of amorphous hafnia

International Nuclear Information System (INIS)

Luo, Xuhui; Demkov, Alexander A.

2015-01-01

We investigate theoretically amorphous hafnia using the first principles melt and quench method. We identify two types of amorphous structures of hafnia. Type I and type II are related to tetragonal and monoclinic hafnia, respectively. We find type II structure to show stronger disorder than type I. Using the phonon density of states, we calculate the specific heat capacity for type II amorphous hafnia. Using the nudged elastic band method, we show that the averaged transition barrier between the type II amorphous hafnia and monoclinic phase is approximately 0.09 eV/HfO 2 . The crystallization temperature is estimated to be 421 K. The calculations suggest an explanation for the low thermal stability of amorphous hafnia

Ice, Ice, Baby!

Science.gov (United States)

Hamilton, C.

2008-12-01

The Center for Remote Sensing of Ice Sheets (CReSIS) has developed an outreach program based on hands-on activities called "Ice, Ice, Baby". These lessons are designed to teach the science principles of displacement, forces of motion, density, and states of matter. These properties are easily taught through the interesting topics of glaciers, icebergs, and sea level rise in K-8 classrooms. The activities are fun, engaging, and simple enough to be used at science fairs and family science nights. Students who have participated in "Ice, Ice, Baby" have successfully taught these to adults and students at informal events. The lessons are based on education standards which are available on our website www.cresis.ku.edu. This presentation will provide information on the activities, survey results from teachers who have used the material, and other suggested material that can be used before and after the activities.

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).

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 (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 [n_s(190 K=10^{(3.33×s_ice+8.16}] for the variation in ice-active surface site density (n_s:m⁻² with ice saturation (s_ice 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

Modelling snow ice and superimposed ice on landfast sea ice in Kongsfjorden, Svalbard

Directory of Open Access Journals (Sweden)

Caixin Wang

2015-08-01

Full Text Available Snow ice and superimposed ice formation on landfast sea ice in a Svalbard fjord, Kongsfjorden, was investigated with a high-resolution thermodynamic snow and sea-ice model, applying meteorological weather station data as external forcing. The model shows that sea-ice formation occurs both at the ice bottom and at the snow/ice interface. Modelling results indicated that the total snow ice and superimposed ice, which formed at the snow/ice interface, was about 14 cm during the simulation period, accounting for about 15% of the total ice mass and 35% of the total ice growth. Introducing a time-dependent snow density improved the modelled results, and a time-dependent oceanic heat flux parameterization yielded reasonable ice growth at the ice bottom. Model results suggest that weather conditions, in particular air temperature and precipitation, as well as snow thermal properties and surface albedo are the most critical factors for the development of snow ice and superimposed ice in Kongsfjorden. While both warming air and higher precipitation led to increased snow ice and superimposed ice forming in Kongsfjorden in the model runs, the processes were more sensitive to precipitation than to air temperature.

On Positronium Formation in Crystalline and Amorphous Ice at Low Positron Energy

DEFF Research Database (Denmark)

Mogensen, O. E.

1986-01-01

The positronium (Ps) yield for ice, measured by Eldrup et al. using a low-energy positron beam, is discussed in terms of the spur model of Ps formation. The pronounced maxima in the Ps yield for crystalline ice at positron energies below 65 eV are well explained by effects due to energy conservat......The positronium (Ps) yield for ice, measured by Eldrup et al. using a low-energy positron beam, is discussed in terms of the spur model of Ps formation. The pronounced maxima in the Ps yield for crystalline ice at positron energies below 65 eV are well explained by effects due to energy...

Amorphous-crystalline transition in thermoelectric NbO2

International Nuclear Information System (INIS)

Music, Denis; Chen, Yen-Ting; Bliem, Pascal; Geyer, Richard W

2015-01-01

Density functional theory was employed to design enhanced amorphous NbO 2 thermoelectrics. The covalent-ionic nature of Nb–O bonding is identical in amorphous NbO 2 and its crystalline counterpart. However, the Anderson localisation occurs in amorphous NbO 2 , which may affect the transport properties. We calculate a multifold increase in the absolute Seebeck coefficient for the amorphous state. These predictions were critically appraised by measuring the Seebeck coefficient of sputtered amorphous and crystalline NbO 2 thin films with the identical short-range order. The first-order phase transition occurs at approximately 550 °C, but amorphous NbO 2 possesses enhanced transport properties at all temperatures. Amorphous NbO 2 , reaching  −173 μV K −1 , exhibits up to a 29% larger absolute Seebeck coefficient value, thereby validating the predictions. (paper)

{sup 2}H-NMR study of amorphous and crystalline high pressure ice phases; {sup 2}H-NMR-Untersuchungen an amorphen und kristallinen Hochdruckeisphasen

Energy Technology Data Exchange (ETDEWEB)

Scheuermann, Marco

2008-10-27

The objective of this work was to produce different high pressure ice phases and measure them at ambient pressure. Temperature dependent relaxation measurements were performed for the first time. All three amorphous ices differ significantly in their temperature dependent T1-values. Applying a heating rate of 1 K/h the transformation of HDA into LDA takes place at a temperature of 105 K. By contrast, warming up VHDA to temperatures above 105 K leads to a relaxed form with relaxation times that resemble the values of HDA. This modification eventually transforms into LDA at 115 K. Our data analysis indicates that this intermediate state is not an inhomogeneous mixture of VHDA and LDA, suggesting that the VHDA/LDA transition is not of a simple first order type. In ice II relaxation measurements and stimulated echo experiments were performed for the first time. The observed temperature of the transition from ice II to cubic ice, 145 K, is consistent with literature data, considering our heating rate of about 1 K/day. The relaxation curves show a bimodal evolution. This is not due to structural heterogeneities, because additional X-ray diffraction measurements exclude a contamination of our samples with other ice phases. The slow relaxing component displays no temperature dependence. The time constant of the fast component reveals Arrhenius-like behaviour, although the activation energy is only 2 kJ/mol. Such a small value can not be attributed to reorientation dynamics as the origin of relaxation in ice II. The decay of the stimulated echo is only about one order of magnitude faster than the decay due to spin-lattice relaxation. The resulting correlation time is temperature independent. Hence, the loss of correlation can not be due to molecular dynamics. But it could stem from spin diffusion, which is known to induce frequency shifts of individual spins in deuteron systems. This interpretation is supported by the analysis of the geometry of the underlying process. The

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-10-10

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

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

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...... 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...... 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....

Neutron irradiation induced amorphization of silicon carbide

International Nuclear Information System (INIS)

Snead, L.L.; Hay, J.C.

1998-01-01

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 x 10 25 n/m 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 (-10.8%), elastic modulus as measured using a nanoindentation technique (-45%), hardness as measured by nanoindentation (-45%), and standard Vickers hardness (-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

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

International Nuclear Information System (INIS)

Ramírez, Rafael; Singh, Jayant K.; Müller-Plathe, Florian; Böhm, Michael C.

2014-01-01

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 2 and 10 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 increases

Exact theory of dense amorphous hard spheres in high dimension. II. The high density regime and the Gardner transition.

Science.gov (United States)

Kurchan, Jorge; Parisi, Giorgio; Urbani, Pierfrancesco; Zamponi, Francesco

2013-10-24

We consider the theory of the glass phase and jamming of hard spheres in the large space dimension limit. Building upon the exact expression for the free-energy functional obtained previously, we find that the random first order transition (RFOT) scenario is realized here with two thermodynamic transitions: the usual Kauzmann point associated with entropy crisis and a further transition at higher pressures in which a glassy structure of microstates is developed within each amorphous state. This kind of glass-glass transition into a phase dominating the higher densities was described years ago by Elisabeth Gardner, and may well be a generic feature of RFOT. Microstates that are small excitations of an amorphous matrix-separated by low entropic or energetic barriers-thus emerge naturally, and modify the high pressure (or low temperature) limit of the thermodynamic functions.

Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

Science.gov (United States)

Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

2018-03-01

We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

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......, should facilitate a compaction. The passivation layer, however, impedes a compaction. Isostatic pressing at 540 K at a pressure of 200 MPa clearly illustrated this; pellets pressed from passivated powder were much more brittle than pellets pressed from unpassivated powder. The density of the pellets...... was very low ([approximately-equal-to]25% of the density of bulk FeB). We have designed a die for uniaxial pressing in which the compaction can be performed without exposing the powder to air and have obtained densities larger than 60% of that of bulk FeB. We have reported studies of the dependence...

Experimental study of the polyamorphism of water. II. The isobaric transitions between HDA and VHDA at intermediate and high pressures

Science.gov (United States)

Handle, Philip H.; Loerting, Thomas

2018-03-01

Since the first report of very-high density amorphous ice (VHDA) in 2001 [T. Loerting et al., Phys. Chem. Chem. Phys. 3, 5355-5357 (2001)], the status of VHDA as a distinct amorphous ice has been debated. We here study VHDA and its relation to expanded high density amorphous ice (eHDA) on the basis of isobaric heating experiments. VHDA was heated at 0.1 ≤ p ≤ 0.7 GPa, and eHDA was heated at 1.1 ≤ p ≤ 1.6 GPa to achieve interconversion. The behavior upon heating is monitored using in situ volumetry as well as ex situ X-ray diffraction and differential scanning calorimetry. We do not observe a sharp transition for any of the isobaric experiments. Instead, a continuous expansion (VHDA) or densification (eHDA) marks the interconversion. This suggests that a continuum of states exists between VHDA and HDA, at least in the temperature range studied here. This further suggests that VHDA is the most relaxed amorphous ice at high pressures and eHDA is the most relaxed amorphous ice at intermediate pressures. It remains unclear whether or not HDA and VHDA experience a sharp transition upon isothermal compression/decompression at low temperature.

Electron-irradiation-induced crystallization of amorphous orthophosphates

International Nuclear Information System (INIS)

Meldrum, A.; Ewing, R.C.; Boatner, L.A.

1996-12-01

Amorphous LaPO 4 , EuPO 4 , GdPO 4 , ScPO 4 , and fluorapatite [Ca 5 (PO 4 ) 3 F] were irradiated by electron beam in a TEM. Irradiations were done at -150 to 300 C, 80 to 200 keV, and current densities from 0.3 to 16 A/cm 2 . In all cases, the materials crystallized to form a randomly oriented polycrystalline assemblage. Crystallization is driven dominantly by inelastic processes, although ballistic collisions with target nuclei can be important above 175 keV, particularly in apatite. Using a high current density, crystallization is so fast that continuous lines of crystallites can be ''drawn'' on the amorphous matrix

Amorphization Mechanism of Icosahedral Platinum Clusters

International Nuclear Information System (INIS)

Apra, Edoardo; Baletto, Francesca; Ferrando, Riccardo; Fortunelli, Alessandro

2004-01-01

The amorphization mechanism of high-symmetry pt nanoclusters is investigated by a combination of Molecular Dynamics simulations and Density Functional calculations. A general mechanism for amorphization, involving rosette-like structural transformations at fivefold vertices, is proposed. IN the tosette, a fivefold vertex is transformed into a hexagonal ring. We show that for icosahedral Pt nanoclusters, this transformation is associated with an energy gain, so that their most favorable structures have a low symmetry even at icosahedral magic numbers

Electron stimulated reactions of methyl iodide coadsorbed with amorphous solid water

International Nuclear Information System (INIS)

Perry, C. C.; Faradzhev, N. S.; Madey, T. E.; Fairbrother, D. H.

2007-01-01

The electron stimulated reactions of methyl iodide (MeI) adsorbed on and suspended within amorphous solid water (ice) were studied using a combination of postirradiation temperature programmed desorption and reflection absorption infrared spectroscopy. For MeI adsorbed on top of amorphous solid water (ice), electron beam irradiation is responsible for both structural and chemical transformations within the overlayer. Electron stimulated reactions of MeI result principally in the formation of methyl radicals and solvated iodide anions. The cross section for electron stimulated decomposition of MeI is comparable to the gas phase value and is only weakly dependent upon the local environment. For both adsorbed MeI and suspended MeI, reactions of methyl radicals within MeI clusters lead to the formation of ethane, ethyl iodide, and diiodomethane. In contrast, reactions between the products of methyl iodide and water dissociation are responsible for the formation of methanol and carbon dioxide. Methane, formed as a result of reactions between methyl radicals and either parent MeI molecules or hydrogen atoms, is also observed. The product distribution is found to depend on the film's initial chemical composition as well as the electron fluence. Results from this study highlight the similarities in the carbon-containing products formed when monohalomethanes coadsorbed with amorphous solid water are irradiated by either electrons or photons

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

Energy Technology Data Exchange (ETDEWEB)

Kalkan, B. [Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, California 20015 (United States); Edwards, T. G.; Sen, S. [Department of Chemical Engineering and Materials Science, University of California, Davis, California 95616 (United States); Raoux, S. [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

2013-08-28

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

Science.gov (United States)

Kalkan, B.; Edwards, T. G.; Raoux, S.; Sen, S.

2013-08-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ˜5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous → β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ˜2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

International Nuclear Information System (INIS)

Kalkan, B.; Edwards, T. G.; Sen, S.; Raoux, S.

2013-01-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression

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...

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

Directory of Open Access Journals (Sweden)

H. Beydoun

2016-10-01

Full Text Available 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

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

International Nuclear Information System (INIS)

Li, Longqiu; Xu, Ming; Song, Wenping; Ovcharenko, Andrey; Zhang, Guangyu; Jia, Ding

2013-01-01

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 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 3 and below. The 2nd REBO potential can be used when amorphous carbon has a very low density of 2.4 g/cm 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 3 and above. In addition, the influence of the quenching time on the hybridization content obtained with the three potentials is discussed.

Winter snow conditions on Arctic sea ice north of Svalbard during the Norwegian young sea ICE (N-ICE2015) expedition

Science.gov (United States)

Merkouriadi, Ioanna; Gallet, Jean-Charles; Graham, Robert M.; Liston, Glen E.; Polashenski, Chris; Rösel, Anja; Gerland, Sebastian

2017-10-01

Snow is a crucial component of the Arctic sea ice system. Its thickness and thermal properties control heat conduction and radiative fluxes across the ocean, ice, and atmosphere interfaces. Hence, observations of the evolution of snow depth, density, thermal conductivity, and stratigraphy are crucial for the development of detailed snow numerical models predicting energy transfer through the snow pack. Snow depth is also a major uncertainty in predicting ice thickness using remote sensing algorithms. Here we examine the winter spatial and temporal evolution of snow physical properties on first-year (FYI) and second-year ice (SYI) in the Atlantic sector of the Arctic Ocean, during the Norwegian young sea ICE (N-ICE2015) expedition (January to March 2015). During N-ICE2015, the snow pack consisted of faceted grains (47%), depth hoar (28%), and wind slab (13%), indicating very different snow stratigraphy compared to what was observed in the Pacific sector of the Arctic Ocean during the SHEBA campaign (1997-1998). Average snow bulk density was 345 kg m-3 and it varied with ice type. Snow depth was 41 ± 19 cm in January and 56 ± 17 cm in February, which is significantly greater than earlier suggestions for this region. The snow water equivalent was 14.5 ± 5.3 cm over first-year ice and 19 ± 5.4 cm over second-year ice.

FT-IR investigation of proton transfer in irradiated ice at 90 K in the absence of mobile bjerrum defects

International Nuclear Information System (INIS)

Devlin, J.P.; Richardson, H.H.

1984-01-01

Samples of cubic and amorphous ice containing isolated D 2 O molecules have been prepared using established methods. Radiolysis with 1.7 MeV electrons at 90 K has been observed to convert the D 2 O in H 2 O cubic ice to primarily coupled HOD pairs (HOD) 2 rather than isolated HOD. Based on the assumption that radiolysis produces an abundance of mobile protons but relatively few mobile orientational defects this result was predictable, i.e., the motion of protons through D 2 O sites converts the D 2 O to coupled (HOD) 2 , while extensive conversion of (HOD) 2 units to isolated HOD requires the passage of orientational defects. Thus, the vanishingly small amount of isolated HOD formed during irradiation has been interpreted as evidence that no significant number of mobile orientational defects are produced by radiolysis. The ability to observe (HOD) 2 as a dominant spectroscopic species has added to the credibility of an earlier thermal study of the kinetics of proton motion in ice that was dependent on the quantitative determination of the (HOD) 2 concentration as a function of reaction time. Furthermore, the observation that protons produced radiolytically fall rapidly into shallow traps, from which they are released by modest warming (to approx.130 K), supports a suggestion by Warman that, for a brief period following a radiolysis pulse, mobile protons are in pseudoequilibrium with protons immobilized by association with L defects. The D 2 O isolated in amorphous ice was similarly converted to HOD by mobile protons produced during radiolysis. However, the broader infrared bands of the amorphous samples have prevented assigning the HOD to a particular form [(HOD) 2 or isolated HOD]. The interesting result was the indication that the proton mobility in amorphous ice is comparable to that for cubic ice

Low-temperature crystallization of amorphous silicon and amorphous germanium by soft X-ray irradiation

Energy Technology Data Exchange (ETDEWEB)

Heya, Akira, E-mail: heya@eng.u-hyogo.ac.jp [Department of Materials Science and Chemistry, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671–2280 (Japan); Kanda, Kazuhiro [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan); Toko, Kaoru; Sadoh, Taizoh [Department of Electronics, Kyushu University, 744 Nishi-ku, Motooka, Fukuoka 819–0395 (Japan); Amano, Sho [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan); Matsuo, Naoto [Department of Materials Science and Chemistry, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671–2280 (Japan); Miyamoto, Shuji [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan); Miyao, Masanobu [Department of Electronics, Kyushu University, 744 Nishi-ku, Motooka, Fukuoka 819–0395 (Japan); Mochizuki, Takayasu [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan)

2013-05-01

The low-temperature-crystallization effects of soft X-ray irradiation on the structural properties of amorphous Si and amorphous Ge films were investigated. From the differences in crystallization between Si and Ge, it was found that the effects of soft X-ray irradiation on the crystallization strongly depended on the energy band gap and energy level. The crystallization temperatures of the amorphous Si and amorphous Ge films decreased from 953 K to 853 K and 773 K to 663 K, respectively. The decrease in crystallization temperature was also related to atoms transitioning into a quasi-nucleic phase in the films. The ratio of electron excitation and migration effects to thermal effects was controlled using the storage-ring current (photon flux density). Therefore, we believe that low-temperature crystallization can be realized by controlling atomic migration through electron excitation. - Highlights: • This work investigates the crystallization mechanism for soft X-ray irradiation. • The soft X-ray crystallization depended on the energy band gap and energy level. • The decrease in the crystallization temperature for Si and Ge films was 100 K. • This decrement was related to atoms transitioning into a quasi-nucleic phase.

Water’s second glass transition

Science.gov (United States)

Amann-Winkel, Katrin; Gainaru, Catalin; Handle, Philip H.; Seidl, Markus; Nelson, Helge; Böhmer, Roland

2013-01-01

The glassy states of water are of common interest as the majority of H2O in space is in the glassy state and especially because a proper description of this phenomenon is considered to be the key to our understanding why liquid water shows exceptional properties, different from all other liquids. The occurrence of water’s calorimetric glass transition of low-density amorphous ice at 136 K has been discussed controversially for many years because its calorimetric signature is very feeble. Here, we report that high-density amorphous ice at ambient pressure shows a distinct calorimetric glass transitions at 116 K and present evidence that this second glass transition involves liquid-like translational mobility of water molecules. This “double Tg scenario” is related to the coexistence of two liquid phases. The calorimetric signature of the second glass transition is much less feeble, with a heat capacity increase at Tg,2 about five times as large as at Tg,1. By using broadband-dielectric spectroscopy we resolve loss peaks yielding relaxation times near 100 s at 126 K for low-density amorphous ice and at 110 K for high-density amorphous ice as signatures of these two distinct glass transitions. Temperature-dependent dielectric data and heating-rate–dependent calorimetric data allow us to construct the relaxation map for the two distinct phases of water and to extract fragility indices m = 14 for the low-density and m = 20–25 for the high-density liquid. Thus, low-density liquid is classified as the strongest of all liquids known (“superstrong”), and also high-density liquid is classified as a strong liquid. PMID:24101518

OPTICAL CONSTANTS AND LAB SPECTRA OF WATER ICE V1.0

Data.gov (United States)

National Aeronautics and Space Administration — Transmission spectra of amorphous and crystalline H2O-ice at temperatures from 20-150 K for a wavelength range from 1.11 to 2.63 microns. These spectra have not been...

OPTICAL CONSTANTS AND LAB SPECTRA OF WATER ICE V1.1

Data.gov (United States)

National Aeronautics and Space Administration — Transmission spectra of amorphous and crystalline H2O-ice at temperatures from 20-150 K for a wavelength range from 1.11 to 2.63 microns. These spectra have not been...

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.

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

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.

Structure and thermal stability of biodegradable Mg-Zn-Ca based amorphous alloys synthesized by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Datta, Moni Kanchan; Chou, Da-Tren; Hong, Daeho; Saha, Partha [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Chung, Sung Jae [Mechanical Engineering and Materials Science, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Lee, Bouen [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Sirinterlikci, Arif [Department of Engineering, Robert Morris University, Moon Township, Pittsburgh, PA 15108 (United States); Ramanathan, Madhumati; Roy, Abhijit [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Kumta, Prashant N., E-mail: matscib@gmail.com [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Mechanical Engineering and Materials Science, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Chemical and Petroleum Engineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); School of Dental Medicine, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Center for Complex Engineered Multifunctional Materials, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

2011-12-15

Room temperature solid state diffusion reaction induced by mechanical alloying (MA) of elemental blends of Mg, Zn and Ca of nominal composition 60 at.% Mg-35 at.% Zn-5 at.% Ca has been studied. Formation of fully amorphous structure has been identified after 5 h of MA performed in a SPEX 8000M shaker mill, with milling continued up to 8 h to confirm the formation of homogeneous amorphous phase. Thermal stability of the amorphous phase has been studied using differential scanning calorimetry (DSC) and isothermal heat treatment at different temperatures. The amorphous powder consolidated using cold isostatic pressing (CIP) showed an envelope density {approx}80% of absolute density, which increased to an envelope density {approx}84% of absolute density after sintering at an optimized temperature of {approx}523 K for 9 h. Electrochemical bio-corrosion testing of the CIP compacted amorphous pellet as well as the sintered pellet performed in Dulbecco's Modified Eagle Medium, showed improved corrosion resistance in comparison to the as-cast pure Mg. Cytotoxicity testing of the CIP compacted amorphous pellet, performed using the MTT assay with MC3T3 osteoblastic cells, showed low cytotoxicity in comparison to the as-cast pure Mg.

Structure and density for As23Se67Ge10 amorphous films

International Nuclear Information System (INIS)

Shchurova, T.N.; Savchenko, N.D.

1999-01-01

The effect of thermal annealing and argon laser irradiation on structure and volume for thin amorphous As 23 Se 67 Ge 10 films deposited by thermal evaporation has been investigated. The short-range structure for the annealed films has been found to be more ordered as compared to the irradiated films. The decrease in film volume under thermal annealing and its increase under laser irradiation have been shown. The changes in film volume have been discussed in the context of non-ergodic model for the amorphous state equilibrium taking into account forces acting from the substrate

High pressure synthesis of amorphous TiO2 nanotubes

Directory of Open Access Journals (Sweden)

Quanjun Li

2015-09-01

Full Text Available Amorphous TiO2 nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO2 nanotubes. The structural phase transitions of anatase TiO2 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 TiO2 nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO2 phase was revealed by high-resolution transmission electron microscopy (HRTEM study. In addition, the bulk modulus (B0 = 158 GPa of the anatase TiO2 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 TiO2 nanotubes.

Experimental Evidence of Low Density Liquid Water under Decompression

Science.gov (United States)

Shen, G.; Lin, C.; Sinogeikin, S. V.; Smith, J.

2017-12-01

Water is not only the most important substance for life, but also plays important roles in liquid science for its anomalous properties. It has been widely accepted that water's anomalies are not a result of simple thermal fluctuation, but are connected to the formation of various structural aggregates in the hydrogen bonding network. Among several proposed scenarios, one model of fluctuations between two different liquids has gradually gained traction. These two liquids are referred to as a low-density liquid (LDL) and a high-density liquid (HDL) with a coexistence line in the deeply supercooled regime at elevated pressure. The LDL-HDL transition ends with decreasing pressure at a liquid-liquid critical point (LLCP) with its Widom line extending to low pressures. Above the Widom line lies mostly HDL which is favored by entropy, while LDL, mostly lying below the Widom line, is favored by enthalpy in the tetrahedral hydrogen bonding network. The origin of water's anomalies can then be explained by the increase in structural fluctuations, as water is cooled down to deeply supercooled temperatures approaching the Widom line. Because both the LLCP and the LDL-HDL transition line lie in water's "no man's land" between the homogeneous nucleation temperature (TH, 232 K) and the crystallization temperature (TX, 150 K), the success of experiments exploring this region has been limited thus far. Using a rapid decompression technique integrated with in situ x-ray diffraction, we observe that a high-pressure ice phase transforms to a low-density noncrystalline (LDN) form upon rapid release of pressure at temperatures of 140-165K. The LDN subsequently crystallizes into ice-Ic through a diffusion-controlled process. The change in crystallization rate with temperature indicates that the LDN is a LDL with its tetrahedrally-coordinated network fully developed and clearly linked to low-density amorphous ices. The observation of the tetrahedral LDL supports the two-liquid model for

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.

In-situ determination of electronic surface and volume defect density of amorphous silicon (a-Si:H) and silicon alloys

International Nuclear Information System (INIS)

Siebke, F.

1992-07-01

The density of localized gap states in the bulk and in the near-surface region of amorphous hydrogenated silicon (a-Si:H) was measured for non oxidized undoped, B-doped and P-doped samples as well as for films with low carbon (C) and germanium (Ge) content. Also the influence of light soaking on the bulk and surface density of states was investigated. The samples were prepared by rf glow discharge in an UHV-system at substrate temperatures between 100degC and 400degC and transferred to the analysis chamber by a vacuum lock. We combined the constant photocurrent method (CPM) and the total-yield photoelectron spectroscopy (TY) to obtain in-situ information about the defect densities. While the first method yields information about the density of states in the bulk, the other method obtains the density of occupied states in the near-surface region. The mean information depth of the TY-measurements is limited by the escape lenght of photoelectrons and can be estimated to 5 nm. In addition to the defect density the position of the Fermi energy was determined for the bulk by dark conductivity measurements and at the surface using a calibrated Kelvin probe. (orig.)

Amorphous nickel/cobalt tungsten sulfide electrocatalysts for high-efficiency hydrogen evolution reaction

Energy Technology Data Exchange (ETDEWEB)

Yang, Lun [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Wu, Xinglong, E-mail: hkxlwu@nju.edu.cn [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Department of Physics, NingBo University, NingBo 315001 (China); Zhu, Xiaoshu [Center for Analysis and Testing, Nanjing Normal University, Nanjing 210093 (China); He, Chengyu; Meng, Ming; Gan, Zhixing [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

2015-06-30

Graphical abstract: - Highlights: • Amorphous nickel/cobalt tungsten sulfides were synthesized by a thermolytic process. • Amorphous NiWS and CoWS could realize hydrogen evolution efficiently. • Ni/Co promotion and annealing alter the porous structure and chemical bonding states. • Active sites on the surface of amorphous WS{sub x} are increased with Ni or Co doping. • Amorphous NiWS and CoWS have immense potentials in water splitting devices. - Abstract: The hydrogen evolution reaction (HER), an appealing solution for future energy supply, requires efficient and inexpensive electrocatalysts with abundant active surface sites. Although crystalline MoS{sub 2} and WS{sub 2} are promising candidates, their activity is dominated by edge sites. Amorphous tungsten sulfide prepared so far lacks the required active sites and its application has thus been hampered. In this work, nickel and cobalt incorporated amorphous tungsten sulfide synthesized by a thermolytic process is demonstrated to enhance the HER efficiency dramatically. The amorphous nickel tungsten sulfide (amorphous NiWS) annealed at 210 °C delivers the best HER performance in this system boasting a Tafel slope of 55 mV per decade and current density of 8.6 mA cm{sup −2} at 250 mV overpotential in a sustained test for 24 h. The introduction of Ni or Co into the catalyst and subsequent thermal treatment alters the porous structure and chemical bonding states thereby increasing the density of active sites on the surface.

Search for the first-order liquid-to-liquid phase transition in low-temperature confined water by neutron scattering

Science.gov (United States)

Chen, Sow-Hsin; Wang, Zhe; Kolesnikov, Alexander I.; Zhang, Yang; Liu, Kao-Hsiang

2013-02-01

It has been conjectured that a 1st order liquid-to-liquid (L-L) phase transition (LLPT) between high density liquid (HDL) and low density liquid (LDL) in supercooled water may exist, as a thermodynamic extension to the liquid phase of the 1st order transition established between the two bulk solid phases of amorphous ice, the high density amorphous ice (HDA) and the low density amorphous ice (LDA). In this paper, we first recall our previous attempts to establish the existence of the 1st order L-L phase transition through the use of two neutron scattering techniques: a constant Q elastic diffraction study of isobaric temperature scan of the D2O density, namely, the equation of state (EOS) measurements. A pronounced density hysteresis phenomenon in the temperature scan of the density above P = 1500 bar is observed which gives a plausible evidence of crossing the 1st order L-L phase transition line above this pressure; an incoherent quasi-elastic scattering measurements of temperature-dependence of the α-relaxation time of H2O at a series of pressures, namely, the study of the Fragile-to-Strong dynamic crossover (FSC) phenomenon as a function of pressure which we interpreted as the results of crossing the Widom line in the one-phase region. In this new experiment, we used incoherent inelastic neutron scattering (INS) to measure the density of states (DOS) of H atoms in H2O molecules in confined water as function of temperature and pressure, through which we may be able to follow the emergence of the LDL and HDL phases at supercooled temperature and high pressures. We here report for the first time the differences of librational and translational DOSs between the hypothetical HDL and LDL phases, which are similar to the corresponding differences between the well-established HDA and LDA ices. This is plausible evidence that the HDL and LDL phases are the thermodynamic extensions of the corresponding amorphous solid water HDA and LDA ices.

Mixed ice accretion on aircraft wings

Science.gov (United States)

Janjua, Zaid A.; Turnbull, Barbara; Hibberd, Stephen; Choi, Kwing-So

2018-02-01

Ice accretion is a problematic natural phenomenon that affects a wide range of engineering applications including power cables, radio masts, and wind turbines. Accretion on aircraft wings occurs when supercooled water droplets freeze instantaneously on impact to form rime ice or runback as water along the wing to form glaze ice. Most models to date have ignored the accretion of mixed ice, which is a combination of rime and glaze. A parameter we term the "freezing fraction" is defined as the fraction of a supercooled droplet that freezes on impact with the top surface of the accretion ice to explore the concept of mixed ice accretion. Additionally we consider different "packing densities" of rime ice, mimicking the different bulk rime densities observed in nature. Ice accretion is considered in four stages: rime, primary mixed, secondary mixed, and glaze ice. Predictions match with existing models and experimental data in the limiting rime and glaze cases. The mixed ice formulation however provides additional insight into the composition of the overall ice structure, which ultimately influences adhesion and ice thickness, and shows that for similar atmospheric parameter ranges, this simple mixed ice description leads to very different accretion rates. A simple one-dimensional energy balance was solved to show how this freezing fraction parameter increases with decrease in atmospheric temperature, with lower freezing fraction promoting glaze ice accretion.

Ab initio simulation of amorphous silicon

International Nuclear Information System (INIS)

Cooper, N.C.; McKenzie, D.R.; Goringe, C.M.

1999-01-01

Full text: A first-principles Car-Parrinello molecular dynamics simulation of amorphous silicon is presented. Density Functional Theory is used to describe the forces between the atoms in a 64 atom supercell which is periodically repeated throughout space in order to generate an infinite network of atoms (a good approximation to a real solid). A quench from the liquid phase is used to achieve a quenched amorphous structure, which is subjected to an annealing cycle to improve its stability. The final, annealed network is in better agreement with experiment than any previous simulation of amorphous silicon. Significantly, the predicted average first-coordination numbers of 3.56 and 3.84 for the quenched and annealed structures from this simulation agree very closely with the experimental values of 3.55 and 3.90 respectively, whereas all previous simulations yielded first coordination numbers greater than 4. This improved agreement in coordination numbers is important because it supports the experimental finding that dangling bonds (which are associated with under-coordinated atoms) are more prevalent than floating bonds (the strained, longer bond of a five coordinate atom) in pure amorphous silicon. Finally, the effect of adding hydrogen to amorphous silicon was investigated by specifically placing hydrogen atoms at the likely defect sites. After a structural relaxation to optimise the positions of these hydrogen atoms, the localised electronic states associated with these defects are absent. Thus hydrogen is responsible for removing these defect states (which are able to trap carriers) from the edge of the band gap of the amorphous silicon. These results confirm the widely held ideas about the effect of hydrogen in producing remarkable improvements in the electronic properties of amorphous silicon

Amorphization, morphological instability and crystallization of krypton ion irradiated germanium

International Nuclear Information System (INIS)

Wang, L.M.; Birtcher, R.C.

1991-01-01

Krypton ion irradiation of crystalline Ge and subsequent thermal annealing were both carried out with in situ transmission electron microscopy observations. The temperature dependence of the amorphization dose, effect of foil thickness, morphological changes during continuous irradiation of the amorphous state as well as the effect of implanted gas have been determined. The dose of 1.5 MeV Kr required for amorphization increases with increasing temperature. At a fixed temperature, the amorphization dose is higher for thicker regions of the specimen. Continuous irradiation of amorphous Ge at room temperature results in a high density of small cavities which grow with increasing dose. Cavities do not coalesce during growth but develop into irregular-shaped holes that eventually transform the amorphous Ge into a sponge-like material. Formation of the spongy structure is independent of Kr implantation. The crystallization temperature and the morphology of recrystallized Ge depend on the Kr + dose. Voids are expelled from recrystallized Ge, while the sponge-like structure is retained after crystallization. (author)

Structure-property relations in amorphous carbon for photovoltaics

International Nuclear Information System (INIS)

Risplendi, Francesca; Cicero, Giancarlo; Bernardi, Marco; Grossman, Jeffrey C.

2014-01-01

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.

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.

Physisorption and desorption of H2, HD and D2 on amorphous solid water ice. Effect on mixing isotopologue on statistical population of adsorption sites.

Science.gov (United States)

Amiaud, Lionel; Fillion, Jean-Hugues; Dulieu, François; Momeni, Anouchah; Lemaire, Jean-Louis

2015-11-28

We study the adsorption and desorption of three isotopologues of molecular hydrogen mixed on 10 ML of porous amorphous water ice (ASW) deposited at 10 K. Thermally programmed desorption (TPD) of H2, D2 and HD adsorbed at 10 K have been performed with different mixings. Various coverages of H2, HD and D2 have been explored and a model taking into account all species adsorbed on the surface is presented in detail. The model we propose allows to extract the parameters required to fully reproduce the desorption of H2, HD and D2 for various coverages and mixtures in the sub-monolayer regime. The model is based on a statistical description of the process in a grand-canonical ensemble where adsorbed molecules are described following a Fermi-Dirac distribution.

Monte Carlo kinetics simulations of ice-mantle formation on interstellar grains

Science.gov (United States)

Garrod, Robin

2015-08-01

The majority of interstellar dust-grain chemical kinetics models use rate equations, or alternative population-based simulation methods, to trace the time-dependent formation of grain-surface molecules and ice mantles. Such methods are efficient, but are incapable of considering explicitly the morphologies of the dust grains, the structure of the ices formed thereon, or the influence of local surface composition on the chemistry.A new Monte Carlo chemical kinetics model, MIMICK, is presented here, whose prototype results were published recently (Garrod 2013, ApJ, 778, 158). The model calculates the strengths and positions of the potential mimima on the surface, on the fly, according to the individual pair-wise (van der Waals) bonds between surface species, allowing the structure of the ice to build up naturally as surface diffusion and chemistry occur. The prototype model considered contributions to a surface particle's potential only from contiguous (or "bonded") neighbors; the full model considers contributions from surface constituents from short to long range. Simulations are conducted on a fully 3-D user-generated dust-grain with amorphous surface characteristics. The chemical network has also been extended from the simple water system previously published, and now includes 33 chemical species and 55 reactions. This allows the major interstellar ice components to be simulated, such as water, methane, ammonia and methanol, as well as a small selection of more complex molecules, including methyl formate (HCOOCH3).The new model results indicate that the porosity of interstellar ices are dependent on multiple variables, including gas density, the dust temperature, and the relative accretion rates of key gas-phase species. The results presented also have implications for the formation of complex organic molecules on dust-grain surfaces at very low temperatures.

Highly featured amorphous silicon nanorod arrays for high-performance lithium-ion batteries

International Nuclear Information System (INIS)

Soleimani-Amiri, Samaneh; Safiabadi Tali, Seied Ali; Azimi, Soheil; Sanaee, Zeinab; Mohajerzadeh, Shamsoddin

2014-01-01

High aspect-ratio vertical structures of amorphous silicon have been realized using hydrogen-assisted low-density plasma reactive ion etching. Amorphous silicon layers with the thicknesses ranging from 0.5 to 10 μm were deposited using radio frequency plasma enhanced chemical vapor deposition technique. Standard photolithography and nanosphere colloidal lithography were employed to realize ultra-small features of the amorphous silicon. The performance of the patterned amorphous silicon structures as a lithium-ion battery electrode was investigated using galvanostatic charge-discharge tests. The patterned structures showed a superior Li-ion battery performance compared to planar amorphous silicon. Such structures are suitable for high current Li-ion battery applications such as electric vehicles

Highly featured amorphous silicon nanorod arrays for high-performance lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Soleimani-Amiri, Samaneh; Safiabadi Tali, Seied Ali; Azimi, Soheil; Sanaee, Zeinab; Mohajerzadeh, Shamsoddin, E-mail: mohajer@ut.ac.ir [Thin Film and Nanoelectronics Lab, Nanoelectronics Center of Excellence, School of Electrical and Computer Engineering, University of Tehran, Tehran 143957131 (Iran, Islamic Republic of)

2014-11-10

High aspect-ratio vertical structures of amorphous silicon have been realized using hydrogen-assisted low-density plasma reactive ion etching. Amorphous silicon layers with the thicknesses ranging from 0.5 to 10 μm were deposited using radio frequency plasma enhanced chemical vapor deposition technique. Standard photolithography and nanosphere colloidal lithography were employed to realize ultra-small features of the amorphous silicon. The performance of the patterned amorphous silicon structures as a lithium-ion battery electrode was investigated using galvanostatic charge-discharge tests. The patterned structures showed a superior Li-ion battery performance compared to planar amorphous silicon. Such structures are suitable for high current Li-ion battery applications such as electric vehicles.

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.

Amorphous carbon nanofibres inducing high specific capacitance of deposited hydrous ruthenium oxide

International Nuclear Information System (INIS)

Barranco, V.; Pico, F.; Ibanez, J.; Lillo-Rodenas, M.A.; Linares-Solano, A.; Kimura, M.; Oya, A.; Rojas, R.M.; Amarilla, J.M.; Rojo, J.M.

2009-01-01

Composites consisting of ruthenium oxide particles deposited on amorphous carbon nanofibres are prepared by a repetitive impregnation procedure. The choice of amorphous carbon nanofibres as support of amorphous ruthenium oxide leads to composites in which the deposited oxide consists of aggregates of extremely small primary particles (1-1.5 nm-size) and showing high porosity (specific surface area of 450 m 2 g -1 ). This special deposition of the oxide seems to favour: (i) high oxide capacitance (1000 Fg -1 ) at high oxide loadings (up to 20 wt%) and (ii) high capacitance retention (ca. 80% from the initial oxide capacitance) at high current densities (200 mA cm -2 ). Amorphous carbon nanofibres are suitable supports for amorphous ruthenium oxide and perhaps for other amorphous oxides acting as active electrode materials.

Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

International Nuclear Information System (INIS)

Meyer, Michael

2011-01-01

The goal of this work is to study the interaction between excess electrons in water ice structures adsorbed on metal surfaces and other charged or neutral species, like alkali ions, or chemically reactive molecules, like chlorofluorocarbons (CFC), respectively. The excess electrons in the ice can interact with the ions directly or indirectly via the hydrogen bonded water molecules. In both cases the presence of the alkali influences the population, localization, and lifetime of electronic states of excess electrons in the ice adlayer. These properties are of great relevance when considering the highly reactive character of the excess electrons, which can mediate chemical reactions by dissociative electron attachment (DEA). The influence of alkali adsorption on electron solvation and transfer dynamics in ice structures is investigated for two types of adsorption configurations using femtosecond time-resolved two-photon photoelectron spectroscopy. In the first system alkali atoms are coadsorbed on top of a wetting amorphous ice film adsorbed on Cu(111). At temperatures between 60 and 100 K alkali adsorption leads to the formation of positively charged alkali ions at the ice/vacuum interface. The interaction between the alkali ions at the surface and the dipole moments of the surrounding water molecules results in a reorientation of the water molecules. As a consequence new electron trapping sites, i.e. at local potential minima, are formed. Photoinjection of excess electrons into these alkali-ion covered amorphous ice layers, results in the trapping of a solvated electron at an alkali-ion/water complex. In contrast to solvation in pure amorphous ice films, where the electrons are located in the bulk of the ice layer, solvated electrons at alkali-ion/water complexes are located at the ice/vacuum interface. They exhibit lifetimes of several picoseconds and show a fast energetic stabilization. With ongoing solvation, i.e. pump-probe time delay, the electron transfer is

A theoretical and spectroscopic study of co-amorphous naproxen and indomethacin

DEFF Research Database (Denmark)

Löbmann, Korbinian; Laitinen, Riikka; Grohganz, Holger

2013-01-01

. In this study, the co-amorphous drug mixture containing naproxen (NAP) and indomethacin (IND) was investigated using infrared spectroscopy (IR) and quantum mechanical calculations. The structures of both drugs were optimized as monomer, homodimer and heterodimer using density functional theory and used...... for the calculation of IR spectra. Conformational analysis confirmed that the optimized structures were suitable for the theoretical prediction of the spectra. Vibrational modes from the calculation could be matched with experimentally observed spectra for crystalline and amorphous NAP and IND, and it could be shown...... that both drugs exist as homodimers in their respective individual amorphous form. With the results from the experimental single amorphous drugs and theoretical homodimers, a detailed analysis of the experimental co-amorphous and theoretical heterodimer spectra was performed and evaluated. It is suggested...

Oxygen flow effects on electrical properties, stability, and density of states of amorphous In-Ga-Zn-O thin-film transistors

Science.gov (United States)

Lee, Yong-Su; Kai-Hsiang Yu, Eric; Shim, Dong-Hwan; Kong, Hyang-Shik; Bie, Linsen; Kanicki, Jerzy

2014-12-01

To investigate the origin of threshold voltage (Vth) shift of amorphous In-Ga-Zn-O (a-IGZO) thin-film transistors (TFTs), a combination of bias-temperature stress (BTS) and multi-frequency capacitance-voltage (C-V) measurements were used to evaluate the impact of oxygen partial pressure (PO2) during a-IGZO deposition on TFT electrical properties, electrical stability, and density of states (DOS). The extracted sub-gap DOS was decomposed into exponential bandtail states and Gaussian-like deep-gap states. The peak density of Gaussian-like states is larger for higher PO2. We conclude that the Gaussian-like states are excess/weakly-bonded oxygen in the form of O0 or O1- ions acting as acceptor-like states and are at the origin of TFT threshold voltage shift during positive BTS.

Contribution to the study of the mechanism of crack in amorphous silica: study by the molecular dynamics of crack in amorphous silica

International Nuclear Information System (INIS)

Van Brutzel, L.

2000-01-01

The aim of this thesis was to understand the mechanism which occurs during the crack at the atomic scale in amorphous silica. The difficulties of the experimental observations at this length scale lead us to use numerical studies by molecular dynamics to access to the dynamical and the thermodynamical informations. We have carried out large simulations with 500000 atoms and studied the structure of the amorphous silica before to studying their behaviours under an imposed strain. The structure of this simulated amorphous silica settled in three length scales. In small length scale between 0 and 5 angstrom glass is composed of tetrahedra, this is close to the crystalline structure. In intermediate length scale between 3 and 10 angstrom tetrahedra are connected together and build rings of different sizes composed in majority between 5 and 7 tetrahedra. In bigger length scale between 15 and 60 angstrom, areas with high density of rings are surrounded by areas with low density of rings. These structural considerations play an important role in initiation and propagation of a crack. Indeed. in this length scale. crack propagates by growth and coalescence of some small cavities which appear in area with low density of rings behind the crack tip. The cavities dissipate the stress with carries away a delay to propagation of the crack. This phenomenons seems ductile and leads to non linear elastic behaviour near the crack tip. We have also shown that the addition of alkali in the amorphous silica changes the structure by creation of nano-porosities and leads to enhance the ductility during the crack propagation. (author)

Thermal conductivity of sputtered amorphous Ge films

International Nuclear Information System (INIS)

Zhan, Tianzhuo; Xu, Yibin; Goto, Masahiro; Tanaka, Yoshihisa; Kato, Ryozo; Sasaki, Michiko; Kagawa, Yutaka

2014-01-01

We measured the thermal conductivity of amorphous Ge films prepared by magnetron sputtering. The thermal conductivity was significantly higher than the value predicted by the minimum thermal conductivity model and increased with deposition temperature. We found that variations in sound velocity and Ge film density were not the main factors in the high thermal conductivity. Fast Fourier transform patterns of transmission electron micrographs revealed that short-range order in the Ge films was responsible for their high thermal conductivity. The results provide experimental evidences to understand the underlying nature of the variation of phonon mean free path in amorphous solids

Transportation properties of amorphous state InSb and its metastable middle phase

International Nuclear Information System (INIS)

Cao Xiaowen

1990-09-01

The variation of the substrate temperature induces the metal-semiconductor transition in the condensation InSb films at low temperatrue. The electron conduction is dominant in the metal-type amorphous InSb and the hole in semiconductor-type one. In the metal-type amorphous InSb the electron-electron is correlated under the field above 0.1T in the temperature region of liquid nitrogen. The structure relaxation leads to not only the increase of the short range order but also the change of electron structure in metal-type amorphous InSb. The first conductance jump originates mainly from the increase of Hall mobility of the carrier, i.e. the increase of the short range order, and the system relaxes from the liquid-like to the lattice-like amorphous state. The three types of the crystallization phase transition for the metal-type amorphous InSb present obviously different transportation behaviours. Both metal-type amorphous state and metastable middle phase of InSb all are one of superconducting system with the lowest carrier concentration (n 0 ∼10 18 cm -3 ). Superconducting T c of the metastable middle phase is related to the state density near Fermi surface, i.e. the higher T c corresponds to the higher state density. The quasi-two-dimensional structure is favourable to superconductivity

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.

Distributions of crystals and gas bubbles in reservoir ice during 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 the physical properties of ice in ice thermodynamics and mechanics, in-situ observations of ice growth and decay processes were carried out. Two samplings were conducted in the fast and steady ice growth stages. Ice pieces were used to observe ice crystals and gas bubbles in ice, and to measure the ice density. Vertical profiles of the type and size of ice crystals, shape and size of gas bubbles, and gas bubble content, as well as the ice density, were obtained. The results show that the upper layer of the ice pieces is granular ice and the lower layer is columnar ice; the average crystal size increases with the ice depth and remains steady in the fast and steady ice growth stages; the shape of gas bubbles in the upper layer of ice pieces 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 vary with the ice growth stage; and the ice density decreases with the increase of the gas bubble content.

Spring snow conditions on Arctic sea ice north of Svalbard, during the Norwegian Young Sea ICE (N-ICE2015) expedition

Science.gov (United States)

Gallet, Jean-Charles; Merkouriadi, Ioanna; Liston, Glen E.; Polashenski, Chris; Hudson, Stephen; Rösel, Anja; Gerland, Sebastian

2017-10-01

Snow is crucial over sea ice due to its conflicting role in reflecting the incoming solar energy and reducing the heat transfer so that its temporal and spatial variability are important to estimate. During the Norwegian Young Sea ICE (N-ICE2015) campaign, snow physical properties and variability were examined, and results from April until mid-June 2015 are presented here. Overall, the snow thickness was about 20 cm higher than the climatology for second-year ice, with an average of 55 ± 27 cm and 32 ± 20 cm on first-year ice. The average density was 350-400 kg m-3 in spring, with higher values in June due to melting. Due to flooding in March, larger variability in snow water equivalent was observed. However, the snow structure was quite homogeneous in spring due to warmer weather and lower amount of storms passing over the field camp. The snow was mostly consisted of wind slab, faceted, and depth hoar type crystals with occasional fresh snow. These observations highlight the more dynamic character of evolution of snow properties over sea ice compared to previous observations, due to more variable sea ice and weather conditions in this area. The snowpack was isothermal as early as 10 June with the first onset of melt clearly identified in early June. Based on our observations, we estimate than snow could be accurately represented by a three to four layers modeling approach, in order to better consider the high variability of snow thickness and density together with the rapid metamorphose of the snow in springtime.

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

The Stabilization of Amorphous Zopiclone in an Amorphous Solid Dispersion.

Science.gov (United States)

Milne, Marnus; Liebenberg, Wilna; Aucamp, Marique

2015-10-01

Zopiclone is a poorly soluble psychotherapeutic agent. The aim of this study was to prepare and characterize an amorphous form of zopiclone as well as the characterization and performance of a stable amorphous solid dispersion. The amorphous form was prepared by the well-known method of quench-cooling of the melt. The solid dispersion was prepared by a solvent evaporation method of zopiclone, polyvinylpyrrolidone-25 (PVP-25), and methanol, followed by freeze-drying. The physico-chemical properties and stability of amorphous zopiclone and the solid dispersion was studied using differential scanning calorimetry (DSC), infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), hot-stage microscopy (HSM), X-ray diffractometry (XRD), solubility, and dissolution studies. The zopiclone amorphous solid-state form was determined to be a fragile glass; it was concluded that the stability of the amorphous form is influenced by both temperature and water. Exposure of amorphous zopiclone to moisture results in rapid transformation of the amorphous form to the crystalline dihydrated form. In comparison, the amorphous solid dispersion proved to be more stable with increased aqueous solubility.

Annealing effect on spin density of broken bonds and on the structure of amorphous germanium

International Nuclear Information System (INIS)

Bukhan'ko, F.N.; Okunev, V.D.; Samojlenko, Z.A.

1989-01-01

Dependence of volumetric spin density of broken bonds in a-Ge films, produced by cathode sputtering in argon, on the annealing temperature is investigated by ESR method. The film structure is controlled by the X-ray method. Two ESR lines with g=2.019 and g=2.003, their intensities changing non-monotonously with annealing temperature are observed. The line with g=2.019 is typical of only amorphous germanium state, and the line with g=2.003 is preserved after film crystallization. Under comparison of results with structural data a conclusion is made that the observed lines in ESR spectra are linked with broken bonds in peripheral regions of two types of clusters. The line with g=2.003 is conditioned by broken bonds in the peripheral cluster regions with standard cubic atom packing and the line with g=2.019 is linked with clusters of hexagonal type which is not typical of crystalline germanium standard structure

Electronic transport in amorphous phase-change materials

International Nuclear Information System (INIS)

Luckas, Jennifer Maria

2012-01-01

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

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

Measurement of the fracture toughness of polycrystalline bubbly ice from an Antarctic ice core

Directory of Open Access Journals (Sweden)

J. Christmann

2015-05-01

Full Text Available The critical fracture toughness is a material parameter describing the resistance of a cracked body to further crack extension. It is an important parameter for simulating and predicting the breakup behavior of ice shelves from the calving of single icebergs to the disintegration of entire ice shelves over a wide range of length scales. The fracture toughness values are calculated with equations that are derived from an elastic stress analysis. Additionally, an X-ray computer tomography (CT scanner was used to identify the density as a function of depth. The critical fracture toughness of 91 Antarctic bubbly ice samples with densities between 840 and 870 kg m−3 has been determined by applying a four-point bending technique on single-edge v-notched beam samples. The examined ice core was drilled 70 m north of Kohnen Station, Dronnning Maud Land (75°00' S, 00°04' E; 2882 m. Supplementary data are available at doi:10.1594/PANGAEA.835321.

Paramagnetic defects in hydrogenated amorphous carbon powders

International Nuclear Information System (INIS)

Keeble, D J; Robb, K M; Smith, G M; Mkami, H El; Rodil, S E; Robertson, J

2003-01-01

Hydrogenated amorphous carbon materials typically contain high concentrations of paramagnetic defects, the density of which can be quantified by electron paramagnetic resonance (EPR). In this work EPR measurements near 9.5, 94, and 189 GHz have been performed on polymeric and diamond-like hydrogenated amorphous carbon (a-C:H) powder samples. A similar single resonance line was observed at all frequencies for the two forms of a-C:H studied. No contributions to the spectrum from centres with resolved anisotropic g-values as reported earlier were detected. An increase in linewidth with microwave frequency was observed. Possible contributions to this frequency dependence are discussed

The Influence of Ice Properties on Borehole Deformation at the West Antarctic Ice Sheet Divide

Science.gov (United States)

Sinkler, E.; Pettit, E. C.; Obbard, R. W.

2017-12-01

It is widely known that ice flow is affected by many properties, including crystal fabric and impurities, though these relationships are not fully understood. This study uses data from the West Antarctic Ice Sheet (WAIS) Divide borehole to better determine the influence of such properties on ice flow. The WAIS Divide borehole, the byproduct of the 2006-2012 coring project, offers a unique opportunity to study deep Antarctic Ice. Thanks to the work of many researchers, extensive data on ice properties are available from both coring and borehole logging at this site. The borehole, kept open with a density-approximating fluid, closes and tilts due to ice flow. We have tracked this deformation over two years using a set of repeat measurements with an Acoustic Televiewer. This tool acts as an acoustic caliper allowing us to view cross-sections of the borehole shape and size with up to 1.25 degree azimuthal resolution and a depth resolution as high as 1.4 mm. In addition, the tool collects tilt and azimuth data. These measurements are compared to a 1D Glen's Flow Law model for borehole closure that uses density differences between the ice and borehole fluid as its driving force and incorporates temperature effects. This is then compared to ice properties like crystal fabric and impurities in order to determine the influence of these properties on ice deformation at this site. Crystal fabric has appeared as an important factor in this study.This work builds on that of others who have studied in-situ deep ice through borehole deformation (e.g. Paterson, 1977 and Dahl-Jensen and Gundestrup, 1987). Our results have implications for ice flow modeling and therefore interpretation of depth-age relationships in deep ice cores.

First-principles study of crystalline and amorphous AlMgB14-based materials

International Nuclear Information System (INIS)

Ivashchenko, V. I.; Shevchenko, V. I.; Turchi, P. E. A.; Veprek, S.; Leszczynski, Jerzy; Gorb, Leonid; Hill, Frances

2016-01-01

We report first-principles investigations of crystalline and amorphous boron and M1 x M2 y X z B 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 −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 −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 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.

Nonequilibrium Phase Transitions in Supercooled Water

Science.gov (United States)

Limmer, David; Chandler, David

2012-02-01

We present results of a simulation study of water driven out of equilibrium. Using transition path sampling, we can probe stationary path distributions parameterize by order parameters that are extensive in space and time. We find that by coupling external fields to these parameters, we can drive water through a first order dynamical phase transition into amorphous ice. By varying the initial equilibrium distributions we can probe pathways for the creation of amorphous ices of low and high densities.

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.

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

Differences between pressure-induced densification of LiCl-H{sub 2}O glass and polyamorphic transition of H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Yoshiharu; Mishima, Osamu [Polyamorphism Group, Advanced Nano Materials Laboratory, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki, 305-0044 (Japan)], E-mail: SUZUKI.Yoshiharu@nims.go.jp

2009-04-15

We perform volumetric measurements of LiCl aqueous solution up to 1.00 GPa in the 100-170 K range, examine the pressure-induced vitrification and densification, and draw the pressure-temperature-volume surface. The pressure-induced vitrification of the solution corresponds to the cooling-induced vitrification of the liquid. We found that the volumetric decrease of glassy solution during the densification is continuous and this behavior depends on the glassy state before the compression. Raman profiles of the glassy solutions before and after the densification are similar. In contrast, the polyamorphic transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is discontinuous and their Raman profile before and after the transition is distinct. These results suggest that the densification relates to the structural relaxation and differs intrinsically from the polyamorphic transition. Furthermore, the densification of HDA is observed under high pressure, suggesting that very high-density amorphous ice (VHDA) may be the densified HDA. In order to recognize a polyamorphic transition under a non-equilibrium condition correctly, evidence of not only large volume change but also some distinct structural changes in glassy state is necessary.

Differences between pressure-induced densification of LiCl-H2O glass and polyamorphic transition of H2O

International Nuclear Information System (INIS)

Suzuki, Yoshiharu; Mishima, Osamu

2009-01-01

We perform volumetric measurements of LiCl aqueous solution up to 1.00 GPa in the 100-170 K range, examine the pressure-induced vitrification and densification, and draw the pressure-temperature-volume surface. The pressure-induced vitrification of the solution corresponds to the cooling-induced vitrification of the liquid. We found that the volumetric decrease of glassy solution during the densification is continuous and this behavior depends on the glassy state before the compression. Raman profiles of the glassy solutions before and after the densification are similar. In contrast, the polyamorphic transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is discontinuous and their Raman profile before and after the transition is distinct. These results suggest that the densification relates to the structural relaxation and differs intrinsically from the polyamorphic transition. Furthermore, the densification of HDA is observed under high pressure, suggesting that very high-density amorphous ice (VHDA) may be the densified HDA. In order to recognize a polyamorphic transition under a non-equilibrium condition correctly, evidence of not only large volume change but also some distinct structural changes in glassy state is necessary.

Synthesis and densification of Cu-coated Ni-based amorphous composite powders

International Nuclear Information System (INIS)

Kim, Yong-Jin; Kim, Byoung-Kee; Kim, Jin-Chun

2007-01-01

Spherical Ni 57 Zr 20 Ti 16 Si 2 Sn 3 (numbers indicate at.%) amorphous powders were produced by the gas atomization process, and ductile Cu phase was coated on the Ni-based amorphous powders by the spray drying process in order to increase the ductility of the consolidated amorphous alloy. The characteristics of the as-prepared powders and the consolidation behaviors of Cu-coated Ni-based amorphous composite powders were investigated. The atomization was conducted at 1450 deg. C under the vacuum of 10 -2 mbar. The Ni-based amorphous powders and Cu nitrate solution were mixed and sprayed at temperature of 130 deg. C. After spray drying and reduction treatment, the sub-micron size Cu powders were coated successfully on the surface of the atomized Ni amorphous powders. The spark plasma sintering process was applied to study the densification behavior of the Cu-coated composite powders. Thickness of the Cu layer was less than 1 μm. The compacts obtained by SPS showed high relative density of over 98% and its hardness was over 800 Hv

Effect of γ-(Fe,Ni) crystal-size stabilization in Fe-Ni-B amorphous ribbon

Science.gov (United States)

Gorshenkov, M. V.; Glezer, A. M.; Korchuganova, O. A.; Aleev, A. A.; Shurygina, N. A.

2017-02-01

The effect of stabilizing crystal size in a melt-quenched amorphous Fe50Ni33B17 ribbon is described upon crystallization in a temperature range of 360-400°C. The shape, size, volume fraction, and volume density have been investigated by transmission electron microscopy and X-ray diffraction methods. The formation of an amorphous layer of the Fe50Ni29B21 compound was found by means of atomic-probe tomography at the boundary of the crystallite-amorphous phase. The stabilization of crystal sizes during annealing is due to the formation of a barrier amorphous layer that has a crystallization temperature that exceeds the crystallization temperature of the matrix amorphous alloy.

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

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.

A Bulk Microphysics Parameterization with Multiple Ice Precipitation Categories.

Science.gov (United States)

Straka, Jerry M.; Mansell, Edward R.

2005-04-01

A single-moment bulk microphysics scheme with multiple ice precipitation categories is described. It has 2 liquid hydrometeor categories (cloud droplets and rain) and 10 ice categories that are characterized by habit, size, and density—two ice crystal habits (column and plate), rimed cloud ice, snow (ice crystal aggregates), three categories of graupel with different densities and intercepts, frozen drops, small hail, and large hail. The concept of riming history is implemented for conversions among the graupel and frozen drops categories. The multiple precipitation ice categories allow a range of particle densities and fall velocities for simulating a variety of convective storms with minimal parameter tuning. The scheme is applied to two cases—an idealized continental multicell storm that demonstrates the ice precipitation process, and a small Florida maritime storm in which the warm rain process is important.

Amorphous metal composites

International Nuclear Information System (INIS)

Byrne, M.A.; Lupinski, J.H.

1984-01-01

This patent discloses an improved amorphous metal composite and process of making the composite. The amorphous metal composite comprises amorphous metal (e.g. iron) and a low molecular weight thermosetting polymer binder. The process comprises placing an amorphous metal in particulate form and a thermosetting polymer binder powder into a container, mixing these materials, and applying heat and pressure to convert the mixture into an amorphous metal composite

Electrical and optical properties of amorphous indium zinc oxide films

International Nuclear Information System (INIS)

Ito, N.; Sato, Y.; Song, P.K.; Kaijio, A.; Inoue, K.; Shigesato, Y.

2006-01-01

Valence electron control and electron transport mechanisms on the amorphous indium zinc oxide (IZO) films were investigated. The amorphous IZO films were deposited by dc magnetron sputtering using an oxide ceramic IZO target (89.3 wt.% In 2 O 3 and 10.7 wt.% ZnO). N-type impurity dopings, such as Sn, Al or F, could not lead to the increase in carrier density in the IZO. Whereas, H 2 introduction into the IZO deposition process was confirmed to be effective to increase carrier density. By 30% H 2 introduction into the deposition process, carrier density increased from 3.08 x 10 2 to 7.65 x 10 2 cm -3 , which must be originated in generations of oxygen vacancies or interstitial Zn 2+ ions. Decrease in the transmittance in the near infrared region and increase in the optical band gap were observed with the H 2 introduction, which corresponded to the increase in carrier density. The lowest resistivity of 3.39 x 10 -4 Ω cm was obtained by 10% H 2 introduction without substrate heating during the deposition

Disentangling neighbors and extended range density oscillations in monatomic amorphous semiconductors.

Science.gov (United States)

Roorda, S; Martin, C; Droui, M; Chicoine, M; Kazimirov, A; Kycia, S

2012-06-22

High energy x-ray diffraction measurements of pure amorphous Ge were made and its radial distribution function (RDF) was determined at high resolution, revealing new information on the atomic structure of amorphous semiconductors. Fine structure in the second peak in the RDF provides evidence that a fraction of third neighbors are closer than some second neighbors; taking this into account leads to a narrow distribution of tetrahedral bond angles, (8.5 ± 0.1)°. A small peak which appears near 5 Å upon thermal annealing shows that some ordering in the dihedral bond-angle distribution takes place during structural relaxation. Extended range order is detected (in both a-Ge and a-Si) which persists to beyond 20 Å, and both the periodicity and its decay length increase upon thermal annealing. Previously, the effect of structural relaxation was only detected at intermediate range, involving reduced tetrahedral bond-angle distortions. These results enhance our understanding of the atomic order in continuous random networks and place significantly more stringent requirements on computer models intending to describe these networks, or their alternatives which attempt to describe the structure in terms of an arrangement of paracrystals.

Experimental evidence of a liquid-liquid transition in interfacial water

Science.gov (United States)

Zanotti, J.-M.; Bellissent-Funel, M.-C.; Chen, S.-H.

2005-07-01

At ambient pressure, bulk liquid water shows an anomalous increase of thermodynamic quantities and apparent divergences of dynamic properties on approaching a temperature Ts of 228 K. At normal pressure, supercooled water spontaneously freezes below the homogeneous nucleation temperature, TH = 235 K. Upon heating, the two forms of Amorphous Solid Water (ASW), LDA (Low Density Amorphous Ice) and HDA (High Density Amorphous Ice), crystallise above TX = 150 K. As a consequence, up to now no experiment has been able to explore the properties of liquid water in this very interesting temperature range between 150 and 235 K. We present nanosecond-time-scale measurements of local rotational and translational dynamics of interfacial, non-crystalline, water from 77 to 280 K. These experimental dynamic results are combined with calorimetric and diffraction data to show that after exhibiting a glass transition at 165 K, interfacial water experiences a first-order liquid-liquid transition at 240 K from a low-density to a high-density liquid. This is the first direct evidence of the existence of a liquid-liquid transition involving water.

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

Science.gov (United States)

Hudson, Reggie L.

2017-12-01

Mid- and far-infrared spectra of condensed ethanol (CH3CH2OH) at 10-160 K are presented, with a special focus on amorphous ethanol, the form of greatest astrochemical interest, and with special attention given to changes at 155-160 K. Infrared spectra of amorphous and crystalline forms are shown. The refractive index at 670 nm of amorphous ethanol at 16 K 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.

Anomalously-dense firn in an ice-shelf channel revealed by wide-angle radar

Science.gov (United States)

Drews, R.; Brown, J.; Matsuoka, K.; Witrant, E.; Philippe, M.; Hubbard, B.; Pattyn, F.

2015-10-01

The thickness of ice shelves, a basic parameter for mass balance estimates, is typically inferred using hydrostatic equilibrium for which knowledge of the depth-averaged density is essential. The densification from snow to ice depends on a number of local factors (e.g. temperature and surface mass balance) causing spatial and temporal variations in density-depth profiles. However, direct measurements of firn density are sparse, requiring substantial logistical effort. Here, we infer density from radio-wave propagation speed using ground-based wide-angle radar datasets (10 MHz) collected at five sites on Roi Baudouin Ice Shelf (RBIS), Dronning Maud Land, Antarctica. Using a novel algorithm including traveltime inversion and raytracing with a prescribed shape of the depth-density relationship, we show that the depth to internal reflectors, the local ice thickness and depth-averaged densities can reliably be reconstructed. For the particular case of an ice-shelf channel, where ice thickness and surface slope change substantially over a few kilometers, the radar data suggests that firn inside the channel is about 5 % denser than outside the channel. Although this density difference is at the detection limit of the radar, it is consistent with a similar density anomaly reconstructed from optical televiewing, which reveals 10 % denser firn inside compared to outside the channel. The denser firn in the ice-shelf channel should be accounted for when using the hydrostatic ice thickness for determining basal melt rates. The radar method presented here is robust and can easily be adapted to different radar frequencies and data-acquisition geometries.

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.

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

Directory of Open Access Journals (Sweden)

G. Spreen

2017-07-01

Full Text Available 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.

Mg amorphous alloys for biodegradable implants

International Nuclear Information System (INIS)

Danez, G.P.; Koga, G.Y.; Tonucci, S.; Bolfarini, C.; Kiminami, C.S.; Botta Filho, W.J.

2010-01-01

The use of implants made from amorphous alloys magnesium-based with additions of zinc and calcium are promising. Properties such as biocompatibility, low density, high mechanical strength, low modulus (as compared to alloys such as stainless steel and titanium), corrosion resistance and wear resistance make it attractive for use in implants. Moreover, the by-products of corrosion and wear are not toxic and may contribute to fixation. Aiming to understand the tendency of this amorphous ternary (Mg-Zn-Ca) and expand the information about this system, this work involved the use of the topological criterion of instability (λ) and the criterion of electronegativity (Δe) to the choice of compositions. The alloys were processed into wedge-shaped and analyzed structurally and in X-ray diffraction and scanning electron microscopy. (author)

Ice films follow structure zone model morphologies

International Nuclear Information System (INIS)

Cartwright, Julyan H.E.; Escribano, Bruno; Sainz-Diaz, C. Ignacio

2010-01-01

Ice films deposited at temperatures of 6-220 K and at low pressures in situ in a cryo-environmental scanning electron microscope show pronounced morphologies at the mesoscale consistent with the structure zone model of film growth. Water vapour was injected directly inside the chamber at ambient pressures ranging from 10 -4 Pa to 10 2 Pa. Several different substrates were used to exclude the influence of their morphology on the grown films. At the lowest temperatures the ice, which under these conditions is amorphous on the molecular scale, shows the mesoscale morphologies typical of the low-temperature zones of the structure zone model (SZM), including cauliflower, transition, spongelike and matchstick morphologies. Our experiments confirm that the SZM is independent of the chemical nature of the adsorbate, although the intermolecular interactions in water (hydrogen bonds) are different to those in ceramics or metals. At higher temperatures, on the other hand, where the ice is hexagonal crystalline on the molecular scale, it displays a complex palmlike morphology on the mesoscale.

Ice films follow structure zone model morphologies

Energy Technology Data Exchange (ETDEWEB)

Cartwright, Julyan H.E. [Instituto Andaluz de Ciencias de la Tierra, CSIC-Universidad de Granada, E-18071 Granada (Spain); Escribano, Bruno, E-mail: bruno.escribano.salazar@gmail.co [Instituto Andaluz de Ciencias de la Tierra, CSIC-Universidad de Granada, E-18071 Granada (Spain); Sainz-Diaz, C. Ignacio [Instituto Andaluz de Ciencias de la Tierra, CSIC-Universidad de Granada, E-18071 Granada (Spain)

2010-04-02

Ice films deposited at temperatures of 6-220 K and at low pressures in situ in a cryo-environmental scanning electron microscope show pronounced morphologies at the mesoscale consistent with the structure zone model of film growth. Water vapour was injected directly inside the chamber at ambient pressures ranging from 10{sup -4} Pa to 10{sup 2} Pa. Several different substrates were used to exclude the influence of their morphology on the grown films. At the lowest temperatures the ice, which under these conditions is amorphous on the molecular scale, shows the mesoscale morphologies typical of the low-temperature zones of the structure zone model (SZM), including cauliflower, transition, spongelike and matchstick morphologies. Our experiments confirm that the SZM is independent of the chemical nature of the adsorbate, although the intermolecular interactions in water (hydrogen bonds) are different to those in ceramics or metals. At higher temperatures, on the other hand, where the ice is hexagonal crystalline on the molecular scale, it displays a complex palmlike morphology on the mesoscale.

On The Importance of Connecting Laboratory Measurements of Ice Crystal Growth with Model Parameterizations: Predicting Ice Particle Properties

Science.gov (United States)

Harrington, J. Y.

2017-12-01

Parameterizing the growth of ice particles in numerical models is at an interesting cross-roads. Most parameterizations developed in the past, including some that I have developed, parse model ice into numerous categories based primarily on the growth mode of the particle. Models routinely possess smaller ice, snow crystals, aggregates, graupel, and hail. The snow and ice categories in some models are further split into subcategories to account for the various shapes of ice. There has been a relatively recent shift towards a new class of microphysical models that predict the properties of ice particles instead of using multiple categories and subcategories. Particle property models predict the physical characteristics of ice, such as aspect ratio, maximum dimension, effective density, rime density, effective area, and so forth. These models are attractive in the sense that particle characteristics evolve naturally in time and space without the need for numerous (and somewhat artificial) transitions among pre-defined classes. However, particle property models often require fundamental parameters that are typically derived from laboratory measurements. For instance, the evolution of particle shape during vapor depositional growth requires knowledge of the growth efficiencies for the various axis of the crystals, which in turn depends on surface parameters that can only be determined in the laboratory. The evolution of particle shapes and density during riming, aggregation, and melting require data on the redistribution of mass across a crystals axis as that crystal collects water drops, ice crystals, or melts. Predicting the evolution of particle properties based on laboratory-determined parameters has a substantial influence on the evolution of some cloud systems. Radiatively-driven cirrus clouds show a broader range of competition between heterogeneous nucleation and homogeneous freezing when ice crystal properties are predicted. Even strongly convective squall

Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing.

Science.gov (United States)

Kim, Chae Un; Tate, Mark W; Gruner, Sol M

2015-09-22

Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water.

Glass-to-cryogenic-liquid transitions in aqueous solutions suggested by crack healing

Science.gov (United States)

Kim, Chae Un; Tate, Mark W.; Gruner, Sol M.

2015-01-01

Observation of theorized glass-to-liquid transitions between low-density amorphous (LDA) and high-density amorphous (HDA) water states had been stymied by rapid crystallization below the homogeneous water nucleation temperature (∼235 K at 0.1 MPa). We report optical and X-ray observations suggestive of glass-to-liquid transitions in these states. Crack healing, indicative of liquid, occurs when LDA ice transforms to cubic ice at 160 K, and when HDA ice transforms to the LDA state at temperatures as low as 120 K. X-ray diffraction study of the HDA to LDA transition clearly shows the characteristics of a first-order transition. Study of the glass-to-liquid transitions in nanoconfined aqueous solutions shows them to be independent of the solute concentrations, suggesting that they represent an intrinsic property of water. These findings support theories that LDA and HDA ice are thermodynamically distinct and that they are continuously connected to two different liquid states of water. PMID:26351671

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

International Nuclear Information System (INIS)

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

1995-01-01

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 ∼7 keV/atom (70 displacements per atom). On the other hand, SiC readily amorphized after damage levels of ∼0.4 dpa at room temperature (RT). Si3N4 exhibited intermediate behavior; irradiation with Fe 2+ ions at RT produced amorphization in the implanted ion region after damage levels of ∼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 + 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

Enhanced thermoelectric performance of amorphous Nb based oxynitrides

Science.gov (United States)

Music, Denis; Geyer, Richard W.; Hans, Marcus

2015-12-01

Using density functional theory, amorphous Nb0.27Ru0.06O0.56N0.10 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-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.

On the density of states of disordered epitaxial graphene

International Nuclear Information System (INIS)

Davydov, S. Yu.

2015-01-01

The study is concerned with two types of disordered epitaxial graphene: (i) graphene with randomly located carbon vacancies and (ii) structurally amorphous graphene. The former type is considered in the coherent potential approximation, and for the latter type, a model of the density of states is proposed. The effects of two types of substrates, specifically, metal and semiconductor substrates are taken into account. The specific features of the density of states of epitaxial graphene at the Dirac point and the edges of the continuous spectrum are analyzed. It is shown that vacancies in epitaxial graphene formed on the metal substrate bring about logarithmic nulling of the density of states of graphene at the Dirac point and the edges of the continuous spectrum. If the Dirac point corresponds to the middle of the band gap of the semiconductor substrate, the linear trend of the density of states to zero in the vicinity of the Dirac point in defect-free graphene transforms into a logarithmic decrease in the presence of vacancies. In both cases, the graphene-substrate interaction is assumed to be weak (quasi-free graphene). In the study of amorphous epitaxial graphene, a simple model of free amorphous graphene is proposed as the initial model, in which account is taken of the nonzero density of states at the Dirac point, and then the interaction of the graphene sheet with the substrate is taken into consideration. It is shown that, near the Dirac point, the quadratic behavior of the density of states of free amorphous graphene transforms into a linear dependence for amorphous epitaxial graphene. In the study, the density of states of free graphene corresponds to the low-energy approximation of the electron spectrum

Experimental study of natural convection melting of ice in salt solutions

International Nuclear Information System (INIS)

Fang, L.J.; Cheung, F.B.; Linehan, J.H.; Pedersen, D.R.

1984-01-01

The solid-liquid interface morphology and the micro-physical process near the moving phase boundary during natural convection melting of a horizontal layer of ice by an overlying pool of salt solution were studied experimentally. A cathetometer which amplifies the interface region was used to measure the ice melting rate. Also measured were the temperature transients of the liquid pool. Within the temperature and the density ratio ranges explored, the ice melting rate was found to be very sensitive to the ratio of pool-to-ice melt density but independent of pool-to-ice temperature difference. By varying the density ratio, three different flow regimes and morphologies of the solid-liquid interface were observed, with melt streamers emanating from the crests of the wavy interface into the pool in all three cases. The measured wavelengths (spacing) between the streamers for four different pairs of materials were correlated with the density ratio and found to agree favorably with the predictions of Taylor instability theory

Intrinsic charge trapping in amorphous oxide films: status and challenges

Science.gov (United States)

Strand, Jack; Kaviani, Moloud; Gao, David; El-Sayed, Al-Moatasem; Afanas’ev, Valeri V.; Shluger, Alexander L.

2018-06-01

We review the current understanding of intrinsic electron and hole trapping in insulating amorphous oxide films on semiconductor and metal substrates. The experimental and theoretical evidences are provided for the existence of intrinsic deep electron and hole trap states stemming from the disorder of amorphous metal oxide networks. We start from presenting the results for amorphous (a) HfO2, chosen due to the availability of highest purity amorphous films, which is vital for studying their intrinsic electronic properties. Exhaustive photo-depopulation spectroscopy measurements and theoretical calculations using density functional theory shed light on the atomic nature of electronic gap states responsible for deep electron trapping observed in a-HfO2. We review theoretical methods used for creating models of amorphous structures and electronic structure calculations of amorphous oxides and outline some of the challenges in modeling defects in amorphous materials. We then discuss theoretical models of electron polarons and bi-polarons in a-HfO2 and demonstrate that these intrinsic states originate from low-coordinated ions and elongated metal-oxygen bonds in the amorphous oxide network. Similarly, holes can be captured at under-coordinated O sites. We then discuss electron and hole trapping in other amorphous oxides, such as a-SiO2, a-Al2O3, a-TiO2. We propose that the presence of low-coordinated ions in amorphous oxides with electron states of significant p and d character near the conduction band minimum can lead to electron trapping and that deep hole trapping should be common to all amorphous oxides. Finally, we demonstrate that bi-electron trapping in a-HfO2 and a-SiO2 weakens Hf(Si)–O bonds and significantly reduces barriers for forming Frenkel defects, neutral O vacancies and O2‑ ions in these materials. These results should be useful for better understanding of electronic properties and structural evolution of thin amorphous films under carrier injection

INFRARED SPECTRA AND OPTICAL CONSTANTS OF NITRILE ICES RELEVANT TO TITAN's ATMOSPHERE

International Nuclear Information System (INIS)

Moore, Marla H.; Hudson, Reggie; Ferrante, Robert F.; James Moore, W.

2010-01-01

Spectra and optical constants of nitrile ices known or suspected to be in Titan's atmosphere are presented from 2.0 to 333.3 μm (∼5000-30 cm -1 ). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan's winter pole. Ices studied are: HCN, hydrogen cyanide; C 2 N 2 , cyanogen; CH 3 CN, acetonitrile; C 2 H 5 CN, propionitrile; and HC 3 N, cyanoacetylene. For each of these molecules, we also report new cryogenic measurements of the real refractive index, n, determined in both the amorphous and crystalline phases at 670 nm. These new values have been incorporated into our optical constant calculations. Spectra were measured and optical constants were calculated for each nitrile at a variety of temperatures, including, but not limited to, 20, 35, 50, 75, 95, and 110 K, in both the amorphous phase and the crystalline phase. This laboratory effort used a dedicated FTIR spectrometer to record transmission spectra of thin-film ice samples. Laser interference was used to measure film thickness during condensation onto a transparent cold window attached to the tail section of a closed-cycle helium cryostat. Optical constants, real (n) and imaginary (k) refractive indices, were determined using Kramers-Kronig analysis. Our calculation reproduces the complete spectrum, including all interference effects.

A multifunctional setup to record FTIR and UV-vis spectra of organic molecules and their photoproducts in astronomical ices.

Science.gov (United States)

Kofman, V; Witlox, M J A; Bouwman, J; Ten Kate, I L; Linnartz, H

2018-05-01

This article describes a new, multi-functional, high-vacuum ice setup that allows to record the in situ and real-time spectra of vacuum UV (VUV)-irradiated non-volatile molecules embedded in a low-temperature (10 K) amorphous solid water environment. Three complementary diagnostic tools-UV-visible (UV-vis) and Fourier Transform Infrared (FTIR) spectroscopy and temperature-programmed desorption quadrupole mass spectrometry-can be used to simultaneously study the physical and chemical behavior of the organic molecules in the ice upon VUV irradiation. The setup is equipped with a temperature-controlled sublimation oven that enables the controlled homogeneous deposition of solid species such as amino acids, nucleobases, and polycyclic aromatic hydrocarbons (PAHs) in ice mixtures prepared from precursor gases and/or liquids. The resulting ice is photo-processed with a microwave discharge hydrogen lamp, generating VUV radiation with a spectral energy distribution representative for the interstellar medium. The characteristics, performance, and future potential of the system are discussed by describing three different applications. First, a new method is introduced, which uses broadband interference transmission fringes recorded during ice deposition, to determine the wavelength-dependent refractive index, n λ , of amorphous solid water. This approach is also applicable to other solids, pure and mixed. Second, the UV-vis and FTIR spectroscopy of an VUV-irradiated triphenylene:water ice mixture is discussed, monitoring the ionization efficiency of PAHs in interstellar ice environments. The third and final example investigates the stability of solid glycine upon VUV irradiation by monitoring the formation of dissociation products in real time.

A multifunctional setup to record FTIR and UV-vis spectra of organic molecules and their photoproducts in astronomical ices

Science.gov (United States)

Kofman, V.; Witlox, M. J. A.; Bouwman, J.; ten Kate, I. L.; Linnartz, H.

2018-05-01

This article describes a new, multi-functional, high-vacuum ice setup that allows to record the in situ and real-time spectra of vacuum UV (VUV)-irradiated non-volatile molecules embedded in a low-temperature (10 K) amorphous solid water environment. Three complementary diagnostic tools—UV-visible (UV-vis) and Fourier Transform Infrared (FTIR) spectroscopy and temperature-programmed desorption quadrupole mass spectrometry—can be used to simultaneously study the physical and chemical behavior of the organic molecules in the ice upon VUV irradiation. The setup is equipped with a temperature-controlled sublimation oven that enables the controlled homogeneous deposition of solid species such as amino acids, nucleobases, and polycyclic aromatic hydrocarbons (PAHs) in ice mixtures prepared from precursor gases and/or liquids. The resulting ice is photo-processed with a microwave discharge hydrogen lamp, generating VUV radiation with a spectral energy distribution representative for the interstellar medium. The characteristics, performance, and future potential of the system are discussed by describing three different applications. First, a new method is introduced, which uses broadband interference transmission fringes recorded during ice deposition, to determine the wavelength-dependent refractive index, nλ, of amorphous solid water. This approach is also applicable to other solids, pure and mixed. Second, the UV-vis and FTIR spectroscopy of an VUV-irradiated triphenylene:water ice mixture is discussed, monitoring the ionization efficiency of PAHs in interstellar ice environments. The third and final example investigates the stability of solid glycine upon VUV irradiation by monitoring the formation of dissociation products in real time.

Ultraviolet spectrophotometry of comet Giacobini-Zinner during the ICE encounter. [International Cometary Explorer (ICE)

Science.gov (United States)

Ahearn, Michael F.; Mcfadden, Lucy A.; Feldman, Paul D.; Boehnhardt, Hermann; Rahe, Juergen; Festou, Michael; Brandt, John C.; Maran, Stephen P.; Niedner, Malcom B.; Smith, Andrew M.

1986-01-01

The IUE spectrophotometry of Comet P/Giacobini-Zinner was acquired in support of the International Cometary Explorer (ICE) mission. The abundances (or upper limits) of UV-active species were calculated. During the ICE encounter the H2O production rate was 3 times 10 to the 28th power/sec, + or - 50%, consistent with values derived from the ICE experiments. Comparison of the abundance of CO2(+) ions with the total electron density measured by the plasma electron experiment on ICE indicates a deficiency of ions relative to electrons indicating a population of ions not detected by remote sensing. The absence of detectable Mg(+) rules out this species as a possible ion of M/Q = 24 detected by the Ion Composition Instrument, part of the ICE complement of instruments.

submitter Heterogeneous ice nucleation of viscous secondary organic aerosol produced from ozonolysis of α-pinene

CERN Document Server

Ignatius, Karoliina; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R; Duplissy, Jonathan; Garimella, Sarvesh; Dias, Antonio; Frege, Carla; Höppel, Niko; Tröstl, Jasmin; Wagner, Robert; Yan, Chao; Amorim, Antonio; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M; Gallagher, Martin W; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Tomé, Antonio; Virtanen, Annele; Worsnop, Douglas; Stratmann, Frank

2016-01-01

There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate heterogeneous ice nucleation and thus influence cloud properties. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles. The SOA particles were produced from the ozone initiated oxidation of α-pinene in an aerosol chamber at temperatures in the range from −38 to −10 ◦C at 5–15 % relative humidity with respect to water to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. The ice nucleation ability of SOA particles with different sizes was investigated with a new continuous flow diffusion chamber. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA for ice saturation ratios between 1.3 and 1.4 significantly below the homogeneous freezing limit. The maximum frozen fraction...

Impurity-defect complexes in hydrogenated amorphous silicon

International Nuclear Information System (INIS)

Yang, L.H.; Fong, C.Y.; Nichols, C.S.

1991-01-01

The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H)-a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using first-principles self-consistent pseudopotential calculations in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results. The authors have studied the electronic and structural properties of substitutional fourfold-coordinated phosphorus and boron at the second neighbor position to a dangling bond defect. This paper demonstrates that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H

Aging mechanisms in amorphous phase-change materials.

Science.gov (United States)

Raty, Jean Yves; Zhang, Wei; Luckas, Jennifer; Chen, Chao; Mazzarello, Riccardo; Bichara, Christophe; Wuttig, Matthias

2015-06-24

Aging is a ubiquitous phenomenon in glasses. In the case of phase-change materials, it leads to a drift in the electrical resistance, which hinders the development of ultrahigh density storage devices. Here we elucidate the aging process in amorphous GeTe, a prototypical phase-change material, by advanced numerical simulations, photothermal deflection spectroscopy and impedance spectroscopy experiments. We show that aging is accompanied by a progressive change of the local chemical order towards the crystalline one. Yet, the glass evolves towards a covalent amorphous network with increasing Peierls distortion, whose structural and electronic properties drift away from those of the resonantly bonded crystal. This behaviour sets phase-change materials apart from conventional glass-forming systems, which display the same local structure and bonding in both phases.

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.}.

Understanding Ice Shelf Basal Melting Using Convergent ICEPOD Data Sets: ROSETTA-Ice Study of Ross Ice Shelf

Science.gov (United States)

Bell, R. E.; Frearson, N.; Tinto, K. J.; Das, I.; Fricker, H. A.; Siddoway, C. S.; Padman, L.

2017-12-01

magnetic anomalies, and deep bathymetry. The West Antarctic side displays high amplitude magnetic anomalies, lower densities and shallower water depths. The geologically-controlled bathymetry influences the access of water masses capable of basal melting into the ice shelf cavity with the deep troughs on the East Antarctic side facilitating melting.

Density functional/molecular dynamics simulations of nucleus-driven crystallization of amorphous Ge2Sb2Te5

Energy Technology Data Exchange (ETDEWEB)

Akola, Jaakko [Department of Physics, Tampere University of Technology (Finland); COMP Centre of Excellence, Department of Applied Physics, Aalto University (Finland); GRSS and PGI-1, Forschungszentrum Juelich (Germany); Kalikka, Janne; Larrucea, Julen [Nanoscience Center, Department of Physics, University of Jyvaeskylae (Finland); Jones, Robert O. [GRSS and PGI-1, Forschungszentrum Juelich (Germany)

2013-07-01

Early stages of nucleus-driven crystallization of the prototype phase change material Ge{sub 2}Sb{sub 2}Te{sub 5} have been studied by massively-parallel density functional/molecular dynamics simulations for amorphous samples (460 and 648 atoms) at 500, 600, and 700 K. All systems assumed a fixed cubic seed of 58 atoms and 6 vacancies in order to achieve sub-nanosecond phase transition. Crystallization occurs within 600 ps for the 460-atom system at 600 and 700 K, and signs of crystallization (nucleus growth, percolation) are present in the others. Crystallization is accompanied by an increase in the number of ABAB squares (A: Ge,Sb, B: Te), and atoms of all elements move significantly. The evolution of cavities/vacancies is closely monitored. The existence of Te-Te, Ge-Ge, Ge-Sb, and Sb-Sb (wrong) bonds is an inevitable consequence of rapid crystallization.

Ice nucleation properties of mineral dusts

OpenAIRE

Steinke, Isabelle

2013-01-01

Ice nucleation in clouds has a significant impact on the global hydrological cycle as well as on the radiative budget of the Earth. The AIDA cloud chamber was used to investigate the ice nucleation efficiency of various atmospherically relevant mineral dusts. From experiments with Arizona Test Dust (ATD) a humidity and temperature dependent ice nucleation active surface site density parameterization was developed to describe deposition nucleation at temperatures above 220 K. Based...

Radiation amorphization of materials

International Nuclear Information System (INIS)

Neklyudov, I.M.; Chernyaeva, T.P.

1993-01-01

The results of experimental and theoretical research on radiation amorphization are presented in this analytical review. Mechanism and driving forces of radiation amorphization are described, kinetic and thermodynamic conditions of amorphization are formulated. Compositional criteria of radiation amorphization are presented, that allow to predict irradiation behaviour of materials, their tendency to radiation amorphization. Mechanism of transition from crystalline state to amorphous state are considered depending on dose, temperature, structure of primary radiation damage and flux level. (author). 134 refs., 4 tab., 25 fig

The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

KAUST Repository

Liu, Hongyi; Li, Yan; Krause, Wendy E.; Rojas, Orlando J.; Pasquinelli, Melissa A.

2012-01-01

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.

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.

The application of Car-Parrinello molecular dynamics to the study of tetrahedral amorphous carbon

International Nuclear Information System (INIS)

McKenzie, D.R.; McCulloch, D.G.; Goringe, C.M.

1998-01-01

The Car-Parrinello method for carrying out molecular dynamics enables the forces between atoms to be calculated by solving Schroedinger's equation for the valence electrons using Density Functional Theory. The method is capable of giving good structural predictions for amorphous network solids by quenching from the melt, even in situations where the bonding changes from one site to another. In amorphous carbon where, depending on its environment, carbon may show sp 2 or sp 3 bonds. The method is applied here to the study of network solids using the example of tetrahedral amorphous carbon

Methods of amorphization and investigation of the amorphous state

OpenAIRE

EINFALT, TOMAŽ; PLANINŠEK, ODON; HROVAT, KLEMEN

2013-01-01

The amorphous form of pharmaceutical materials represents the most energetic solid state of a material. It provides advantages in terms of dissolution rate and bioavailability. This review presents the methods of solid-state amorphization described in literature (supercooling of liquids, milling, lyophilization, spray drying, dehydration of crystalline hydrates), with the emphasis on milling. Furthermore, we describe how amorphous state of pharmaceuticals differ depending on method of prepara...

Vibrational dynamics of amorphous metals by inelastic neutron and raman scattering

International Nuclear Information System (INIS)

Lustig, N.E.

1986-01-01

Time-of-flight inelastic neutron scattering and Raman measurements were performed on amorphous (a-) metals. The neutron-weighted vibrational density of states, G(E), obtained for a-Fe 78 P 22 , a-Ni 82 B 18 and a-Ni 67 B 33 transition metal metalloid alloys (TM-m), indicated two major vibrational bands: a low frequency acoustic-like band and a high frequency optic-like band, derived from TM-TM and TM-m interactions, respectively. Similar neutron measurements were performed on the corresponding polycrystalline (c-) alloys, c-Fe 3 P and c-Ni 2 B. A comparison of the amorphous and crystalline densities of states indicates the elimination of sharp features and the addition of vibrational states at low and high frequencies upon amorphization. The experimental G(E) results for a-Fe 78 P 22 are in good agreement with the theoretically predicted spectrum. A comparison between the a-Ni 67 B 33 and the phenomenologically broadened c-Ni 2 B spectrum indicates a change in the short-range order. This finding is consistent with structural measurements on this alloy. Raman measurements were carried out using interference enhanced Raman spectroscopy (IERS) on thin film Ni-B alloys. The measured spectra provide information about the weighted phonon density of states, and is in good agreement with the neutron results

Strain sensors for civil engineering application based on CoFeCrSiB amorphous ribbons

Czech Academy of Sciences Publication Activity Database

Bydžovský, J.; Kollár, M.; Jančárik, V.; Švec, P.; Kraus, Luděk

2002-01-01

Roč. 52, Suppl. A (2002), s. A117-A120 ISSN 0011-4626. [Czech and Slovak Conference on Magnetism. Košice, 20.08.2001-23.08.2001] Grant - others:NATO(XX) SfP973649; VEGA(XX) 1/7609/20 Institutional research plan: CEZ:AV0Z1010914 Keywords : magnetic amorphous ribbon * stress-induced anisotropy * strain sensor Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.311, year: 2002

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%.

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.

Enhanced thermoelectric performance of amorphous Nb based oxynitrides

International Nuclear Information System (INIS)

Music, Denis; Geyer, Richard W.; Hans, Marcus

2015-01-01

Using density functional theory, amorphous Nb_0_._2_7Ru_0_._0_6O_0_._5_6N_0_._1_0 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"−"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.

Contribution to the study of the mechanism of crack in amorphous silica: study by the molecular dynamics of crack in amorphous silica; Contribution a l'etude des mecanismes de rupture dans les amorphes: etude par dynamique moleculaire de la rupture de verre de silice

Energy Technology Data Exchange (ETDEWEB)

Van Brutzel, L

2000-07-01

The aim of this thesis was to understand the mechanism which occurs during the crack at the atomic scale in amorphous silica. The difficulties of the experimental observations at this length scale lead us to use numerical studies by molecular dynamics to access to the dynamical and the thermodynamical informations. We have carried out large simulations with 500000 atoms and studied the structure of the amorphous silica before to studying their behaviours under an imposed strain. The structure of this simulated amorphous silica settled in three length scales. In small length scale between 0 and 5 angstrom glass is composed of tetrahedra, this is close to the crystalline structure. In intermediate length scale between 3 and 10 angstrom tetrahedra are connected together and build rings of different sizes composed in majority between 5 and 7 tetrahedra. In bigger length scale between 15 and 60 angstrom, areas with high density of rings are surrounded by areas with low density of rings. These structural considerations play an important role in initiation and propagation of a crack. Indeed. in this length scale. crack propagates by growth and coalescence of some small cavities which appear in area with low density of rings behind the crack tip. The cavities dissipate the stress with carries away a delay to propagation of the crack. This phenomenons seems ductile and leads to non linear elastic behaviour near the crack tip. We have also shown that the addition of alkali in the amorphous silica changes the structure by creation of nano-porosities and leads to enhance the ductility during the crack propagation. (author)

Tunneling measurements in amorphous layers of superconducting transition metals: molybdenum, vanadium, and niobium

International Nuclear Information System (INIS)

Roll, U.

1981-01-01

Tunneling experiments with amorphous Molybdenum and Vanadium layers are presented, showing no significant increase of the reduced energy gap 2δ(O)/kTsub(c)(δ) compared with the BCS-value, in contrast to all previous measurement on amorphous superconducting materials of simple s-p-metals, showing on enhanced electron-phonon-interaction. This fact may lead to the conclusion that the strong electron-phonon coupling is caused by the amorphous structure of the superconductor. The present results, however, indicate that the strong electron-phonon interaction cannot be explained only ba the amorphous structure of the superconductor. In the measurements of the second derivative d 2 U/dI 2 no phonon-induced structures have been observed for amorphous molybdenum, vanadium and niobium films. Apparently the phonon density of states F(#betta#) of amorphous transition metals has no structure, thus the longitudinal and transverse phonons cannot be identified in the measured (d 2 U/dI 2 )-curves. This particular behaviour of the amorphous transition metals in contrast to the simple s-p-metals may be interpreted by the strongly localized d-electrons. (orig./GG) [de

The hydrogen bond in ice probed by soft x-ray spectroscopy and density functional theory

International Nuclear Information System (INIS)

Nilsson, A.; Ogasawara, H.; Cavalleri, M.; Nordlund, D.; Nyberg, M.; Wernet, Ph.; Pettersson, L.G.M.

2005-01-01

We combine photoelectron and x-ray absorption spectroscopy with density functional theory to derive a molecular orbital picture of the hydrogen bond in ice. We find that the hydrogen bond involves donation and back-donation of charge between the oxygen lone pair and the O-H antibonding orbitals on neighboring molecules. Together with internal s-p rehybridization this minimizes the repulsive charge overlap of the connecting oxygen and hydrogen atoms, which is essential for a strong attractive electrostatic interaction. Our joint experimental and theoretical results demonstrate that an electrostatic model based on only charge induction from the surrounding medium fails to properly describe the internal charge redistributions upon hydrogen bonding

Studies of pulsed laser melting and rapid solidification using amorphous silicon

International Nuclear Information System (INIS)

Lowndes, D.H.; Wood, R.F.

1984-06-01

Pulsed-laser melting of ion implantation-amorphized silicon layers, and subsequent solidification were studied. Measurements of the onset of melting of amorphous silicon layers and of the duration of melting, and modified melting model calculations demonstrated that the thermal conductivity, K/sub a/, of amorphous silicon is very low (K/sub a/ approx. = 0.02 W/cm-K). K/sub a/ is also the dominant parameter determining the dynamical response of amorphous silicon to pulsed laser radiation. TEM indicates that bulk (volume) nucleation occurs directly from the highly undercooled liquid silicon that can be prepared by pulsed laser melting of amorphous silicon layers at low laser energy densities. A modified thermal melting model is presented. The model calculations demonstrate that the release of latent heat by bulk nucleation occurring during the melt-in process is essential to obtaining agreement with observed depths of melting. These calculations also show that this release of latent heat accompanying bulk nucleation can result in the existence of buried molten layers of silicon in the interior of the sample after the surface has solidified. The bulk nucleation implies that the liquid-to-amorphous phase transition (produced using picosecond or uv nanosecond laser pulses) cannot be explained using purely thermodynamic considerations

STICKING OF MOLECULES ON NONPOROUS AMORPHOUS WATER ICE

Energy Technology Data Exchange (ETDEWEB)

He, Jiao; Vidali, Gianfranco [Physics Department, Syracuse University, Syracuse, NY 13244 (United States); Acharyya, Kinsuk, E-mail: gvidali@syr.edu [Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States)

2016-05-20

Accurate modeling of physical and chemical processes in the interstellar medium (ISM) requires detailed knowledge of how atoms and molecules 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{sub 2}, D{sub 2}, N{sub 2}, O{sub 2}, CO, CH{sub 4}, and CO{sub 2} on nonporous amorphous solid water. 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 the values of the measured sticking coefficient, we suggest a useful general formula of the sticking coefficient as a function of grain temperature and molecule-surface binding energy. We use this formula in a simulation of ISM gas–grain chemistry to find the effect of sticking on the abundance of key molecules both on grains and in the gas phase.

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.

Bonding topologies in diamondlike amorphous-carbon films

International Nuclear Information System (INIS)

Siegal, M. P.; Provencio, P. N.; Tallant, D. R.; Simpson, R. L.; Kleinsorge, B.; Milne, W. I.

2000-01-01

The carbon ion energy used during filtered cathodic vacuum arc deposition determines the bonding topologies of amorphous-carbon (a-C) films. Regions of relatively low density occur near the substrate/film and film/surface interfaces; their thicknesses increase with deposition energy. The ion subplantation growth results in mass density gradients in the bulk portion of a-C in the growth direction; density decreases with distance from the substrate for films grown using ion energies 160 eV. Films grown between these energies are the most diamondlike with relatively uniform bulk density and the highest optical transparencies. Bonding topologies evolve with increasing growth energy consistent with the propagation of subplanted carbon ions inducing a partial transformation of σ- to π-bonded carbon atoms. (c) 2000 American Institute of Physics

Superconducting properties of amorphous Zr-Ge binary alloys

International Nuclear Information System (INIS)

Inoue, A.; Takahashi, Y.; Toyota, N.; Fukase, T.; Masumoto, T.

1982-01-01

A new type of refractory metal-metalloid amorphous alloys exhibiting superconductivity has been found in a binary Zr-Ge system by a modified melt-spinning technique. Specimens are in the form of continuous ribbons 1 to 2 mm wide and 0.02 to 0.03 mm thick. The germanium content in the amorphous alloys is limited to the range of 13 to 21 at%. These amorphous alloys are so ductile that no cracks are observed even after closely contacted bending test. Data are reported for various alloy compositions for the Vickers hardness and crystallization temperature, the tensile fracture strength, superconducting transition temperature Tsub(c), upper critical magnetic field, critical current density in the absence of an applied field, upper critical field gradient at Tsub(c) and the electrical resistivity at 4.2 K. The Ginzburg-Landau (GL) parameter and the GL coherence length were estimated to be 72 to 111 and about 7.9 nm, respectively, from these experimental values by using the Ginzburg-Landau-Abrikosov-Gorkov theory and hence it is concluded that the Zr-Ge amorphous alloys are extremely 'soft' type-II superconductor with high degree of dirtiness which possesses the Tsub(c) values higher than zirconium metal, in addition to high strength combined with good ductility. (author)

Deuterium in astrophysical ice analogues: Isotope exchange and IR detection sensitivity for HDO

Science.gov (United States)

Escribano, R. M.; Galvez, O.; Mate, B.; Herrero, V. J.

2011-12-01

Among D-bearing molecules, water is especially interesting from an astrophysical point of view. Although the deuterium content of water in astronomical environments is relatively small as compared with other molecules, it holds most valuable information, still largely undeciphered, on the dynamics of formation and evaporation of ice grain mantels in protostellar regions [1], and is crucial for the understanding of the formation of the Solar System and the Earth [2]. In this work, we have used the OD stretching bands of HDO and D2O molecules in various ice mixtures formed by vapor deposition on a cold substrate (see ref [3] for a description of the experimental set-up) to study the sensitivity of the IR technique for the detection of HDO in ice samples, and to monitor processes of H/D isotope exchange in these solids. It is found that the detection sensitivity is strongly dependent on the ice structure. The OD band is extremely broad and tends to disappear into the absorption continuum of H2O for low temperature amorphous samples. Detectable HDO/H2O ratios with this technique may range from a few per cent for amorphous samples to a few per thousand in crystalline ice. These relatively high upper limits and the appreciable dependence of the band shape on temperature, complicating the interpretation of data from many lines of sight, may question the usefulness of this technique. Isotopic H/D exchange in mixed ices of H2O/D2O is found to start at ~ 120 K and is greatly accelerated at 150 K, as crystallization proceeds in the ice. The process is mainly driven by proton transfer assisted by orientational defect mobility. Annealed amorphous samples are more favourable for isotope exchange than samples directly formed in the crystalline phase. The annealing process seems to lead to polycrystalline ice morphology with a higher defect activity. The present data emphasize the relevance of a depletion mechanism for D atoms in hydroxylic bonds in the solid state, recently

New Approaches to the Computer Simulation of Amorphous Alloys: A Review.

Science.gov (United States)

Valladares, Ariel A; Díaz-Celaya, Juan A; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M; Reyes-Retana, José A; Valladares, Renela M; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun

2011-04-13

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe 2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties.

Relationship between Physiological Off-Ice Testing, On-Ice Skating, and Game Performance in Division I Women's Ice Hockey Players.

Science.gov (United States)

Boland, Michelle; Miele, Emily M; Delude, Katie

2017-10-07

The purpose was to identify off-ice testing variables that correlate to skating and game performance in Division I collegiate women ice hockey players. Twenty female, forward and defensive players (19.95 ± 1.35 yr) were assessed for weight, height, percent fat mass (%FAT), bone mineral density, predicted one repetition maximum (RM) absolute and relative (REL%) bench press (BP) and hex bar deadlift (HDL), lower body explosive power, anaerobic power, countermovement vertical jump (CMJ), maximum inspiratory pressure (MIP), and on-ice repeated skate sprint (RSS) performance. The on-ice RSS test included 6 timed 85.6 m sprints with participants wearing full hockey equipment; fastest time (FT), average time (AT) and fatigue index (FI) for the first length skate (FLS; 10 m) and total length skate (TLS; 85.6 m) were used for analysis. Game performance was evaluated with game statistics: goals, assists, points, plus-minus, and shots on goal (SOG). Correlation coefficients were used to determine relationships. Percent fat mass was positively correlated (p Game performance in women ice hockey players may be enhanced by greater MIP, repeat acceleration ability, and mode-specific training. Faster skating times were associated with lower %FAT. Skating performance in women ice hockey players may be enhanced by improving body composition, anaerobic power, and both lower and upper body strength in off-ice training.

Path-integral simulation of ice Ih: The effect of pressure

Science.gov (United States)

Herrero, Carlos P.; Ramírez, Rafael

2011-12-01

The effect of pressure on structural and thermodynamic properties of ice Ih has been studied by means of path-integral molecular dynamics simulations at temperatures between 50 and 300 K. Interatomic interactions were modeled by using the effective q-TIP4P/F potential for flexible water. Positive (compression) and negative (tension) pressures have been considered, which allowed us to approach the limits for the mechanical stability of this solid water phase. We have studied the pressure dependence of the crystal volume, bulk modulus, interatomic distances, atomic delocalization, and kinetic energy. The spinodal point at both negative and positive pressures is derived from the vanishing of the bulk modulus. For P300 K. At positive pressure the spinodal is associated with ice amorphization, and at low temperatures it is found to be between 1.1 and 1.3 GPa. Quantum nuclear effects cause a reduction of the metastability region of ice Ih.

Theoretical study of the localization-delocalization transition in amorphous molybdenum-germanium alloys

International Nuclear Information System (INIS)

Ding, K.; Andersen, H.C.

1987-01-01

Electronic structure calculations were performed for amorphous germanium and amorphous alloys of molybdenum and germanium. The calculations used Harrison's universal linear-combination-of-atomic-orbitals parameters to generate one-electron Hamiltonians for structural configurations obtained from molecular-dynamics simulations. The density of states calculated for a model of a-Ge showed a distinct pseudogap, although with an appreciable density of states at the minimum. The states in the pseudogap are localized. As the concentration of Mo atoms increases, the pseudogap of the density of states is gradually filled up. The density of states at the Fermi energy calculated for our model of the alloys agrees quite well with that experimentally determined by Yoshizumi, Geballe, and co-workers. The localization index for the states at the Fermi energy is a decreasing function of Mo concentration in the range of 2--14 at. % Mo and the localization length is an increasing function of molybdenum concentration. These results are consistent with the experimental observation of an insulator-metal transition at about 10 at. % Mo

Inelastic scattering from amorphous solids

International Nuclear Information System (INIS)

Price, D.L.

1985-08-01

The potential of inelastic neutron scattering techniques for surveying various aspects of the dynamics of amorphous solids is briefly reviewed. The recent use of the Intense Pulsed Neutron Source to provide detailed information on the optical vibrations of glasses is discussed in more detail. The density of states represents an averaged quantity which gives information about the general characteristics of the structure and bonding. More extensive information can be obtained by studying the detailed wavevector dependence of the dynamic structure factor. 15 refs., 7 figs

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.

Effects of gas residence time of CH4/H2 on sp2 fraction of amorphous carbon films and dissociated methyl density during radical-injection plasma-enhanced chemical vapor deposition

Science.gov (United States)

Sugiura, Hirotsugu; Jia, Lingyun; Kondo, Hiroki; Ishikawa, Kenji; Tsutsumi, Takayoshi; Hayashi, Toshio; Takeda, Keigo; Sekine, Makoto; Hori, Masaru

2018-06-01

Quadruple mass spectrometric measurements of CH3 density during radical-injection plasma-enhanced chemical vapor deposition to consider the sp2 fraction of amorphous carbon (a-C) films were performed. The sp2 fraction of the a-C films reached a minimum of 46%, where the CH3 density was maximum for a residence time of 6 ms. The sp2 fraction of the a-C films was tailored with the gaseous phase CH3 density during the deposition. This knowledge is useful for understanding the formation mechanism of bonding structures in the a-C films, which enables the precise control of their electronic properties.

Friction and wear measurements of sputtered MoS/sub x/ films amorphized by ion bombardment

International Nuclear Information System (INIS)

Mikkelsen, N.J.; Chevallier, J.; Soerensen, G.; Straede, C.A.

1988-01-01

The present study presents an experimental evidence for amorphization of rf sputtered MoS/sub x/ films by ion bombardment. Even at low doses (3 x 10 15 ions/cm 2 ) of 400 keV argon ions a complete amorphization was confirmed by x-ray diffraction analysis and transmission electron microscopy. As a result of the ion bombardment the film density increased 100% to almost the bulk value for MoS 2 . The friction coefficient for ion beam amorphized MoS/sub x/ was measured to be 0.04 in agreement with the values reported for crystalline films but disagreeing considerably with the friction coefficient of 0.4 previously reported for amorphous films

Defect kinetics and resistance to amorphization in zirconium carbide

International Nuclear Information System (INIS)

Zheng, Ming-Jie; Szlufarska, Izabela; Morgan, Dane

2015-01-01

To better understand the radiation response of zirconium carbide (ZrC), and in particular its excellent resistance to amorphization, we have used density functional theory methods to study the kinetics of point defects in ZrC. The migration barriers and recombination barriers of the simple point defects are calculated using the ab initio molecular dynamics simulation and the nudged elastic band method. These barriers are used to estimate C and Zr interstitial and vacancy diffusion and Frenkel pair recombination rates. A significant barrier for C Frenkel pair recombination is found but it is shown that a large concentration of C vacancies reduces this barrier dramatically, allowing facile healing of radiation damage. The mechanisms underlying high resistance to amorphization of ZrC were analyzed from the perspectives of structural, thermodynamic, chemical and kinetic properties. This study provides insights into the amorphization resistance of ZrC as well as a foundation for understanding general radiation damage in this material

The phase diagram of water at negative pressures: virtual ices.

Science.gov (United States)

Conde, M M; Vega, C; Tribello, G A; Slater, B

2009-07-21

The phase diagram of water at negative pressures as obtained from computer simulations for two models of water, TIP4P/2005 and TIP5P is presented. Several solid structures with lower densities than ice Ih, so-called virtual ices, were considered as possible candidates to occupy the negative pressure region of the phase diagram of water. In particular the empty hydrate structures sI, sII, and sH and another, recently proposed, low-density ice structure. The relative stabilities of these structures at 0 K was determined using empirical water potentials and density functional theory calculations. By performing free energy calculations and Gibbs-Duhem integration the phase diagram of TIP4P/2005 was determined at negative pressures. The empty hydrates sII and sH appear to be the stable solid phases of water at negative pressures. The phase boundary between ice Ih and sII clathrate occurs at moderate negative pressures, while at large negative pressures sH becomes the most stable phase. This behavior is in reasonable agreement with what is observed in density functional theory calculations.

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.

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; Klimes, Jirí; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias

2013-10-21

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.

Room-temperature low-voltage electroluminescence in amorphous carbon nitride thin films

Science.gov (United States)

Reyes, R.; Legnani, C.; Ribeiro Pinto, P. M.; Cremona, M.; de Araújo, P. J. G.; Achete, C. A.

2003-06-01

White-blue electroluminescent emission with a voltage bias less than 10 V was achieved in rf sputter-deposited amorphous carbon nitride (a-CN) and amorphous silicon carbon nitride (a-SiCN) thin-film-based devices. The heterojunction structures of these devices consist of: Indium tin oxide (ITO), used as a transparent anode; amorphous carbon film as an emission layer, and aluminum as a cathode. The thickness of the carbon films was about 250 Å. In all of the produced diodes, a stable visible emission peaked around 475 nm is observed at room temperature and the emission intensity increases with the current density. For an applied voltage of 14 V, the luminance was about 3 mCd/m2. The electroluminescent properties of the two devices are discussed and compared.

Bonding topologies in diamondlike amorphous-carbon films

Energy Technology Data Exchange (ETDEWEB)

SIEGAL,MICHAEL P.; PROVENCIO,PAULA P.; TALLANT,DAVID R.; SIMPSON,REGINA L.; KLEINSORGE,B.; MILNE,W.I.

2000-01-27

The carbon ion energy used during filtered cathodic vacuum arc deposition determines the bonding topologies of amorphous-carbon (a-C) films. Regions of relatively low density occur near the substrate/film and film/surface interfaces and their thicknesses increase with increasing deposition energy. The ion subplantation growth results in mass density gradients in the bulk portion of a-C in the growth direction; density decreases with distance from the substrate for films grown using ion energies < 60 eV and increases for films grown using ion energies > 160 eV. Films grown between these energies are the most diamondlike with relatively uniform bulk density and the highest optical transparencies. Bonding topologies evolve with increasing growth energy consistent with the propagation of subplanted carbon ions inducing a partial transformation of 4-fold to 3-fold coordinated carbon atoms.

Bonding topologies in diamondlike amorphous-carbon films

Energy Technology Data Exchange (ETDEWEB)

Siegal, M. P. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Provencio, P. N. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Tallant, D. R. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Simpson, R. L. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1421 (United States); Kleinsorge, B. [Department of Engineering, Cambridge University, Cambridge CB2 1PZ, (United Kingdom); Milne, W. I. [Department of Engineering, Cambridge University, Cambridge CB2 1PZ, (United Kingdom)

2000-04-10

The carbon ion energy used during filtered cathodic vacuum arc deposition determines the bonding topologies of amorphous-carbon (a-C) films. Regions of relatively low density occur near the substrate/film and film/surface interfaces; their thicknesses increase with deposition energy. The ion subplantation growth results in mass density gradients in the bulk portion of a-C in the growth direction; density decreases with distance from the substrate for films grown using ion energies <60 eV and increases for films grown using ion energies >160 eV. Films grown between these energies are the most diamondlike with relatively uniform bulk density and the highest optical transparencies. Bonding topologies evolve with increasing growth energy consistent with the propagation of subplanted carbon ions inducing a partial transformation of {sigma}- to {pi}-bonded carbon atoms. (c) 2000 American Institute of Physics.

The dose, temperature, and projectile-mass dependence for irradiation-induced amorphization of CuTi

International Nuclear Information System (INIS)

Koike, J.; Okamoto, P.R.; Rehn, L.E.; Meshii, M.

1989-01-01

CuTi was irradiated with 1-MeV Ne + , Kr + , and Xe + in the temperature range from 150 to 563 K. The volume fraction of the amorphous phase produced during room temperature irradiation with Ne + and Kr + ions was determined as a function of ion dose from measurements of the integrated intensity of the diffuse ring in electron diffraction patterns. The results, analyzed by Gibbons' model, indicate that direct amorphization occurs along a single ion track with Kr + , but the overlapping of three ion tracks is necessary for amorphization with Ne + . The critical temperature for amorphization increases with increasing projectile mass from electron to Ne + to Kr + . However, the critical temperatures for Kr + and Xe + irradiations were found to be identical, and very close to the thermal crystallization temperature of an amorphous zone embedded in the crystalline matrix. Using the present observations, relationships between the amorphization kinetics and the displacement density along the ion track, and between the critical temperature and the stability of the irradiation-induced damage, are discussed

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.

Ground-State Structures of Ice at High-Pressures

OpenAIRE

McMahon, Jeffrey M.

2011-01-01

\\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three novel crystal phases. The underlying sub-lattice of O atoms remains similar among them, and the transitions can be characterized by reorganizations of the hydrogen bonds. The symmetric hydrogen bonds of ice X and $Pbcm$ are initially lost as ice transforms to s...

The effects of methanol on the trapping of volatile ice components

Science.gov (United States)

Burke, Daren J.; Brown, Wendy A.

2015-04-01

The evaporation of icy mantles, which have been formed on the surface of dust grains, is acknowledged to give rise to the rich chemistry that has been observed in the vicinity of hot cores and corinos. It has long been established that water ice is the dominant species within many astrophysical ices. However, other molecules found within astrophysical ices, particularly methanol, can influence the desorption of volatile species from the ice. Here we present a detailed investigation of the adsorption and desorption of methanol-containing ices, showing the effect that methanol has on the trapping and release of volatiles from model interstellar ices. OCS and CO2 have been used as probe molecules since they have been suggested to reside in water-rich and methanol-rich environments. Experiments show that methanol fundamentally changes the desorption characteristics of both OCS and CO2, leading to the observation of mainly codesorption of both species with bulk water ice for the tertiary ices and causing a lowering of the temperature of the volcano component of the desorption. In contrast, binary ices are dominated by standard volcano desorption. This observation clearly shows that codepositing astrophysically relevant impurities with water ice, such as methanol, can alter the desorption dynamics of volatiles that become trapped in the pores of the amorphous water ice during the sublimation process. Incorporating experimental data into a simple model to simulate these processes on astrophysical timescales shows that the additional methanol component releases larger amounts of OCS from the ice mantle at lower temperatures and earlier times. These results are of interest to astronomers as they can be used to model the star formation process, hence giving information about the evolution of our Universe.

Hydrogen in amorphous silicon

International Nuclear Information System (INIS)

Peercy, P.S.

1980-01-01

The structural aspects of amorphous silicon and the role of hydrogen in this structure are reviewed with emphasis on ion implantation studies. In amorphous silicon produced by Si ion implantation of crystalline silicon, the material reconstructs into a metastable amorphous structure which has optical and electrical properties qualitatively similar to the corresponding properties in high-purity evaporated amorphous silicon. Hydrogen studies further indicate that these structures will accomodate less than or equal to 5 at.% hydrogen and this hydrogen is bonded predominantly in a monohydride (SiH 1 ) site. Larger hydrogen concentrations than this can be achieved under certain conditions, but the excess hydrogen may be attributed to defects and voids in the material. Similarly, glow discharge or sputter deposited amorphous silicon has more desirable electrical and optical properties when the material is prepared with low hydrogen concentration and monohydride bonding. Results of structural studies and hydrogen incorporation in amorphous silicon were discussed relative to the different models proposed for amorphous silicon

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...

Infrared Spectra, Index of Refraction, and Optical Constants of Nitrile Ices Relevant to Titan's Atmosphere

Science.gov (United States)

Moore, Marla; Ferrante, Robert; Moore, William; Hudson, Reggie

2010-01-01

Spectra and optical constants of nitrite ices known or suspected to be in Titan's atmosphere are presented from 2.5 to 200 microns (4000 to 50 per cm ). These results are relevant to the ongoing modeling of Cassini CIRS observations of Titan's winter pole. Ices studied include: HCN, hydrogen cyanide; C2N2, cyanogen; CH3CN, acetonitrile; C 2H5CN, propionitrile; and HC3N, cyanoacetylene. For each of these molecules we report new measurements of the index of refraction, n, determined in both the amorphous- and crystallinephase at 670 nm. Spectra were measured and optical constants were calculated for each nitrite at a variety of temperatures including 20, 35, 50, 75, 95, and 110 K, in the amorphous- and crystalline-phase. This laboratory effort uses a dedicated FTIR spectrometer to record transmission spectra of thin-film ice samples. Laser interference is used to measure film thickness during condensation onto a transparent cold window attached to the tail section of a closed-cycle helium cryostat. Optical constants, real (n) and imaginary (k) refractive indices, are determined using Kramers-Kronig (K-K) analysis. Our calculation reproduces the complete spectrum, including all interference effects. Index of refraction measurements are made in a separate dedicated FTIR spectrometer where interference deposit fringes are measured using two 670 nm lasers at different angles to the ice substrate. A survey of these new measurements will be presented along with a discussion of their validation, errors, and application to Titan data.

Combined HRTEM and PEELS analysis of nanoporous and amorphous carbon

International Nuclear Information System (INIS)

Peng, J.L.; Fan, X. D.; Bursill, L.A.

1997-01-01

Both the mass density (1.37 kgm/m 3 ) and sp 2 +sp 3 bonding fraction (0.15) were determined for an unusual nanoporous amorphous carbon consisting of curved single graphitic sheets. A combination of high-resolution transmission electron microscopy (HRTEM) and parallel electron energy loss spectroscopy (PEELS) was used. The values of these two parameters provide important constraints for the determination of the structure of this relatively low density variety of nanoporous carbon. The results are relevant also in the search for negatively-curved Schwarzite-related carbon structures. New date are also presented for highly-oriented pyrollytic graphite (HOPG), chemically vapour deposited (CVD) diamond, C 60 , glassy carbon (GC) and evaporated amorphous carbon (EAC); these are compared with the results for NAC. Kramers-Kronig analysis (KKA) of the low-loss PEELS data shows that the band gaps of both NAC and EAC are collapsed relative to that of CVD diamond. 18 refs., 2 tabs., 3 figs

Combined HRTEM and PEELS analysis of nanoporous and amorphous carbon

Energy Technology Data Exchange (ETDEWEB)

Peng, J.L.; Fan, X. D.; Bursill, L.A.

1997-06-01

Both the mass density (1.37 kgm/m{sup 3}) and sp{sup 2}+sp{sup 3} bonding fraction (0.15) were determined for an unusual nanoporous amorphous carbon consisting of curved single graphitic sheets. A combination of high-resolution transmission electron microscopy (HRTEM) and parallel electron energy loss spectroscopy (PEELS) was used. The values of these two parameters provide important constraints for the determination of the structure of this relatively low density variety of nanoporous carbon. The results are relevant also in the search for negatively-curved Schwarzite-related carbon structures. New date are also presented for highly-oriented pyrollytic graphite (HOPG), chemically vapour deposited (CVD) diamond, C{sub 60}, glassy carbon (GC) and evaporated amorphous carbon (EAC); these are compared with the results for NAC. Kramers-Kronig analysis (KKA) of the low-loss PEELS data shows that the band gaps of both NAC and EAC are collapsed relative to that of CVD diamond. 18 refs., 2 tabs., 3 figs.

A tale of two polar bear populations: Ice habitat, harvest, and body condition

Science.gov (United States)

Rode, Karyn D.; Peacock, Elizabeth; Taylor, Mitchell K.; Stirling, Ian; Born, Erik W.; Laidre, Kristin L.; Wiig, Øystein

2012-01-01

One of the primary mechanisms by which sea ice loss is expected to affect polar bears is via reduced body condition and growth resulting from reduced access to prey. To date, negative effects of sea ice loss have been documented for two of 19 recognized populations. Effects of sea ice loss on other polar bear populations that differ in harvest rate, population density, and/or feeding ecology have been assumed, but empirical support, especially quantitative data on population size, demography, and/or body condition spanning two or more decades, have been lacking. We examined trends in body condition metrics of captured bears and relationships with summertime ice concentration between 1977 and 2010 for the Baffin Bay (BB) and Davis Strait (DS) polar bear populations. Polar bears in these regions occupy areas with annual sea ice that has decreased markedly starting in the 1990s. Despite differences in harvest rate, population density, sea ice concentration, and prey base, polar bears in both populations exhibited positive relationships between body condition and summertime sea ice cover during the recent period of sea ice decline. Furthermore, females and cubs exhibited relationships with sea ice that were not apparent during the earlier period (1977–1990s) when sea ice loss did not occur. We suggest that declining body condition in BB may be a result of recent declines in sea ice habitat. In DS, high population density and/or sea ice loss, may be responsible for the declines in body condition.

Crystallization of an amorphous Fe72Ni9Si8B11 alloy upon laser heating and isothermal annealing

International Nuclear Information System (INIS)

Girzhon, V.V.; Smolyakov, A.V.; Yastrebova, T.S.

2003-01-01

With the use of methods of x-ray diffraction, resistometric and metallographic analyses specific features of crystallization and phase formation in amorphous alloy Fe 72 Ni 9 Si 8 B 11 are studied under various heating conditions. It is shown that laser heating results in alloy crystallization by an explosive mechanism when attaining a certain density of irradiation power. It is stated that ribbon surface laser heating with simultaneous water cooling of an opposite surface allows manufacturing two-layer amorphous-crystalline structures of the amorphous matrix + α-(Fe, Si) - amorphous matrix type [ru

Structural simplicity as a restraint on the structure of amorphous silicon

Science.gov (United States)

Cliffe, Matthew J.; Bartók, Albert P.; Kerber, Rachel N.; Grey, Clare P.; Csányi, Gábor; Goodwin, Andrew L.

2017-06-01

Understanding the structural origins of the properties of amorphous materials remains one of the most important challenges in structural science. In this study, we demonstrate that local "structural simplicity", embodied by the degree to which atomic environments within a material are similar to each other, is a powerful concept for rationalizing the structure of amorphous silicon (a -Si) a canonical amorphous material. We show, by restraining a reverse Monte Carlo refinement against pair distribution function (PDF) data to be simpler, that the simplest model consistent with the PDF is a continuous random network (CRN). A further effect of producing a simple model of a -Si is the generation of a (pseudo)gap in the electronic density of states, suggesting that structural homogeneity drives electronic homogeneity. That this method produces models of a -Si that approach the state-of-the-art without the need for chemically specific restraints (beyond the assumption of homogeneity) suggests that simplicity-based refinement approaches may allow experiment-driven structural modeling techniques to be developed for the wide variety of amorphous semiconductors with strong local order.

Heterogeneous Ice Nucleation by Soufriere Hills Volcanic Ash Immersed in Water Droplets.

Directory of Open Access Journals (Sweden)

T P Mangan

Full Text Available Fine particles of ash emitted during volcanic eruptions may sporadically influence cloud properties on a regional or global scale as well as influencing the dynamics of volcanic clouds and the subsequent dispersion of volcanic aerosol and gases. It has been shown that volcanic ash can trigger ice nucleation, but ash from relatively few volcanoes has been studied for its ice nucleating ability. In this study we quantify the efficiency with which ash from the Soufriere Hills volcano on Montserrat nucleates ice when immersed in supercooled water droplets. Using an ash sample from the 11th February 2010 eruption, we report ice nucleating efficiencies from 246 to 265 K. This wide range of temperatures was achieved using two separate droplet freezing instruments, one employing nanolitre droplets, the other using microlitre droplets. Soufriere Hills volcanic ash was significantly more efficient than all other ash samples that have been previously examined. At present the reasons for these differences are not understood, but may be related to mineralogy, amorphous content and surface chemistry.

Heterogeneous Ice Nucleation by Soufriere Hills Volcanic Ash Immersed in Water Droplets.

Science.gov (United States)

Mangan, T P; Atkinson, J D; Neuberg, J W; O'Sullivan, D; Wilson, T W; Whale, T F; Neve, L; Umo, N S; Malkin, T L; Murray, B J

2017-01-01

Fine particles of ash emitted during volcanic eruptions may sporadically influence cloud properties on a regional or global scale as well as influencing the dynamics of volcanic clouds and the subsequent dispersion of volcanic aerosol and gases. It has been shown that volcanic ash can trigger ice nucleation, but ash from relatively few volcanoes has been studied for its ice nucleating ability. In this study we quantify the efficiency with which ash from the Soufriere Hills volcano on Montserrat nucleates ice when immersed in supercooled water droplets. Using an ash sample from the 11th February 2010 eruption, we report ice nucleating efficiencies from 246 to 265 K. This wide range of temperatures was achieved using two separate droplet freezing instruments, one employing nanolitre droplets, the other using microlitre droplets. Soufriere Hills volcanic ash was significantly more efficient than all other ash samples that have been previously examined. At present the reasons for these differences are not understood, but may be related to mineralogy, amorphous content and surface chemistry.

Bonding tungsten, W–Cu-alloy and copper with amorphous Fe–W alloy transition

Energy Technology Data Exchange (ETDEWEB)

Wang, Song, E-mail: wangsongrain@163.com [Laboratory of Special Ceramics and Powder Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Ling, Yunhan, E-mail: yhling@mail.tsinghua.edu.cn [Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Zhao, Pei [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Zang, Nanzhi [Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Wang, Jianjun [Laboratory of Special Ceramics and Powder Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); Guo, Shibin [Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100039 (China); Zhang, Jun [Laboratory of Advanced Materials, Tsinghua University, Beijing 100084 (China); Xu, Guiying [Laboratory of Special Ceramics and Powder Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China)

2013-05-15

W/Cu graded materials are the leading candidate materials used as the plasma facing components in a fusion reactor. However, tungsten and copper can hardly be jointed together due to their great differences in physical properties such as coefficient of thermal expansion and melting point, and the lack of solid solubility between them. To overcome those difficulties, a new amorphous Fe–W alloy transitional coating and vacuum hot pressing (VHP) method were proposed and introduced in this paper. The morphology, composition and structure of the amorphous Fe–W alloy coating and the sintering interface of the specimens were analyzed by scanning electron microscopy (SEM), energy dispersive spectrometer (EDS) and X-ray diffraction (XRD). The thermal shock resistance of the bonded composite was also tested. The results demonstrated that amorphous structure underwent change from amorphous to nano grains during joining process, and the joined W/Cu composite can endued plasma thermal shock resistance with energy density more than 5.33 MW/m{sup 2}. It provides a new feasible technical to join refractory tungsten to immiscible copper with amorphous Fe–W alloy coating.

Model of the recrystallization mechanism of amorphous silicon layers created by ion implantation

International Nuclear Information System (INIS)

Drosd, R.M.

1979-11-01

The recrystallization behavior during annealing of thin films of amorphous (α) silicon, in contact with a single crystal silicon substrate (referred to as C), has been studied in the transmission electron microscope (TEM). The amorphous film is created during high dose phosphorus ion implantation at 100 keV. It was found that the crystal substrate orientation and the implantation temperature have dramatic effects on the recrystallizaton rate, and the defect microstructure produced during annealing. Specifically, (100) wafers implanted at 77 0 K contain only a low density of dislocation loops, but when the same wafer is implanted at room temperature the dislocation density is increased drastically. (111) wafers, when implanted at 77 0 K show a high density of microtwins, but as the implantation temperature is increased a gradual increase in the density of dislocation loops is observed along with a reduction of the microtwins. At an implantation temperature of about 100 0 C both orientations give an identical defect microstructure when annealed, which is a dense tangle of dislocations

Radiation-induced formation of cavities in amorphous germanium

International Nuclear Information System (INIS)

Wang, L.M.; Birtcher, R.C.

1989-01-01

Prethinned polycrystalline Ge TEM samples were irradiated with 1.5 MeV Kr + ions at room temperature while structural and morphological changes were observed in situ in the Argonne High Voltage Electron Microscope-Tandem Facility. After a Kr + dose of 1.2x10 14 ions/cm 2 , the irradiated Ge was completely amorphized. A high density of small void-like cavities was observed after a Kr + dose of 7x10 14 ions/cm 2 . With increasing Kr + ion dose, these cavities grew into large holes transforming the irradiated Ge into a sponge-like porous material after 8.5x10 15 ions/cm 2 . The radiation-induced nucleation of void-like cavities in amorphous material is astonishing, and the final structure of the irradiated Ge with enormous surface area may have potential applications

THE EFFECTS OF EXPERIMENTAL CONDITIONS ON THE REFRACTIVE INDEX AND DENSITY OF LOW-TEMPERATURE ICES: SOLID CARBON DIOXIDE

Energy Technology Data Exchange (ETDEWEB)

Loeffler, M. J.; Moore, M. H.; Gerakines, P. A. [Astrochemistry Laboratory, Code 691, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2016-08-20

We present the first study on the effects of the deposition technique on the measurements of the visible refractive index and the density of a low-temperature ice using solid carbon dioxide (CO{sub 2}) at 14–70 K as an example. While our measurements generally agree with previous studies that show a dependence of index and density on temperature below 50 K, we also find that the measured values depend on the method used to create each sample. Below 50 K, we find that the refractive index varied by as much as 4% and the density by as much as 16% at a single temperature depending on the deposition method. We also show that the Lorentz–Lorenz approximation is valid for solid CO{sub 2} across the full 14–70 K temperature range, regardless of the deposition method used. Since the refractive index and density are important in calculations of optical constants and infrared (IR) band strengths of materials, our results suggest that the deposition method must be considered in cases where n {sub vis} and ρ are not measured in the same experimental setup where the IR spectral measurements are made.

The Effects of Experimental Conditions on the Refractive Index and Density of Low-Temperature Ices: Solid Carbon Dioxide

Science.gov (United States)

Loeffler, M. J.; Moore, M. H.; Gerakines, P. A.

2016-01-01

We present the first study on the effects of the deposition technique on the measurements of the visible refractive index and the density of a low-temperature ice using solid carbon dioxide (CO2) at 14-70 K as an example. While our measurements generally agree with previous studies that show a dependence of index and density on temperature below 50 K, we also find that the measured values depend on the method used to create each sample. Below 50 K, we find that the refractive index varied by as much as 4% and the density by as much as 16% at a single temperature depending on the deposition method. We also show that the Lorentz-Lorenz approximation is valid for solid CO2 across the full 14-70 K temperature range, regardless of the deposition method used. Since the refractive index and density are important in calculations of optical constants and infrared (IR) band strengths of materials, our results suggest that the deposition method must be considered in cases where nvis and ? are not measured in the same experimental setup where the IR spectral measurements are made.

Irradiation of electron with high energy induced micro-crystallization of amorphous silicon

International Nuclear Information System (INIS)

Zhong Yule; Huang Junkai; Liu Weiping; Li Jingna

2001-01-01

Amorphous silicon is amorphous alloy of Si-H. It is random network of silicon with some hydrogen. And its structure has many unstable bonds as weak bonds of Si-Si and distortion bonds of all kinds. The bonds was broken or was out of shape by light and electrical ageing. It induced increase of defective state that causes character of material going to bad. This drawback will be overcome after micro-crystallization of amorphous silicon. It was discovered that a-Si:H was micro-crystallized by irradiated of electrons with energy of 0.3-0.5 MeV, density of electronic beam of 1.3 x 10 19 cm -1 s -1 and irradiated time of 10-600 s. Size of grain is 10-20 nm. Thick of microcrystalline lager is 25-250 nm

Assessing the accuracy of Greenland ice sheet ice ablation measurements by pressure transducer

Science.gov (United States)

Fausto, R. S.; van As, D.; Ahlstrøm, A. P.

2012-04-01

In the glaciological community there is a need for reliable mass balance measurements of glaciers and ice sheets, ranging from daily to yearly time scales. Here we present a method to measure ice ablation using a pressure transducer. The pressure transducer is drilled into the ice, en-closed in a hose filled with a liquid that is non-freezable at common Greenlandic temperatures. The pressure signal registered by the transducer is that of the vertical column of liquid over the sensor, which can be translated in depth knowing the density of the liquid. As the free-standing AWS moves down with the ablating surface and the hose melts out of the ice, an increasingly large part of the hose will lay flat on the ice surface, and the hydrostatic pressure from the vertical column of liquid in the hose will get smaller. This reduction in pressure provides us with the ablation rate. By measuring at (sub-) daily timescales this assembly is well-suited to monitor ice ablation in remote regions, with clear advantages over other well-established methods of measuring ice ablation in the field. The pressure transducer system has the potential to monitor ice ablation for several years without re-drilling and the system is suitable for high ablation areas. A routine to transform raw measurements into ablation values will also be presented, including a physically based method to remove air pressure variability from the signal. The pressure transducer time-series is compared to that recorded by a sonic ranger for the climatically hostile setting on the Greenland ice sheet.

The crystalline-to-amorphous transition in ion-bombarded silicon

International Nuclear Information System (INIS)

Mueller, G.; Kalbitzer, S.

1980-01-01

Hydrogen-free, but defect-rich a-Si can be obtained by ion bombardment of c-Si. The formation of such material has been studied in detail using carrier-removal measurements in the characterization of the bombardment damage. In order to develop an overall view of the disordering process these data are discussed together with results obtained on similar films by Rutherford back-scattering, electron spin resonance, electron microscopy and optical measurements. It is concluded that amorphous material generally evolves from an intermediate crystalline phase supersaturated with point defects. The transition occurs locally at the sites of energetic ion impacts into critically predamaged crystalline material. As a consequence, an amorphous layer is built up from small clusters with dimensions typically of the order of 50 A. From the net expansion of the bombarded layers it is concluded that regions of lower atomic density are locally present, very likely a consequence of a structural mismatch between individual amorphous clusters. In this way a heterogeneous defect structure may build up in these films which determines their electronic properties. (author)

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.

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, Saharoui; Mughal, Asad Jahangir

2015-01-01

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.

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

International Nuclear Information System (INIS)

Whittet, D. C. B.; Poteet, C. A.; Bajaj, V. M.; Horne, D.; Chiar, J. E.; Pagani, L.; Shenoy, S. S.; Adamson, A. J.

2013-01-01

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 2 O, CO, and CO 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 μm for nine of them. The mean composition of the ices in the best-studied line of sight (toward J15542044–0254073) is H 2 O:CO:CO 2 ≈ 100:40:24. The ices are amorphous in structure, indicating that they have been maintained at low temperature (∼ 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 τ 9.7 = 0.15 ± 0.03 in the silicate feature. Our results support a previous conclusion that the color excess E 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

Impact of ice particle shape on short-wave radiative forcing: A case study for an arctic ice cloud

International Nuclear Information System (INIS)

Kahnert, Michael; Sandvik, Anne Dagrun; Biryulina, Marina; Stamnes, Jakob J.; Stamnes, Knut

2008-01-01

We used four different non-spherical particle models to compute optical properties of an arctic ice cloud and to simulate corresponding cloud radiative forcings and fluxes. One important finding is that differences in cloud forcing, downward flux at the surface, and absorbed flux in the atmosphere resulting from the use of the four different ice cloud particle models are comparable to differences in these quantities resulting from changing the surface albedo from 0.4 to 0.8, or by varying the ice water content (IWC) by a factor of 2. These findings show that the use of a suitable non-spherical ice cloud particle model is very important for a realistic assessment of the radiative impact of arctic ice clouds. The differences in radiative broadband fluxes predicted by the four different particle models were found to be caused mainly by differences in the optical depth and the asymmetry parameter. These two parameters were found to have nearly the same impact on the predicted cloud forcing. Computations were performed first by assuming a given vertical profile of the particle number density, then by assuming a given profile of the IWC. In both cases, the differences between the cloud radiative forcings computed with the four different non-spherical particle models were found to be of comparable magnitude. This finding shows that precise knowledge of ice particle number density or particle mass is not sufficient for accurate prediction of ice cloud radiative forcing. It is equally important to employ a non-spherical shape model that accurately reproduces the ice particle's dimension-to-volume ratio and its asymmetry parameter. The hexagonal column/plate model with air-bubble inclusions seems to offer the highest degree of flexibility

First Principles Study of Electron Tunneling through Ice

KAUST Repository

Cucinotta, Clotilde S.; Rungger, Ivan; Sanvito, Stefano

2012-01-01

With the aim of understanding electrochemical scanning tunnel microscopy experiments in an aqueous environment, we investigate electron transport through ice in the coherent limit. This is done by using the nonequilibrium Greens functions method, implemented within density functional theory, in the self-interaction corrected local density approximation. In particular, we explore different ice structures and different Au electrode surface orientations. By comparing the decay coefficient for different thicknesses to the ice complex band structure, we find that the electron transport occurs via tunneling with almost one-dimensional character. The slow decay of the current with the ice thickness is largely due to the small effective mass of the conduction electrons. Furthermore, we find that the calculated tunneling decay coefficients at the Fermi energy are not sensitive to the structural details of the junctions and are at the upper end of the experimental range for liquid water. This suggests that linear response transport measurements are not capable of distinguishing between different ordered ice structures. However, we also demonstrate that a finite bias measurement may be capable of sorting polar from nonpolar interfaces due to the asymmetry of the current-voltage curves for polar interfaces. © 2012 American Chemical Society.

First Principles Study of Electron Tunneling through Ice

KAUST Repository

Cucinotta, Clotilde S.

2012-10-25

With the aim of understanding electrochemical scanning tunnel microscopy experiments in an aqueous environment, we investigate electron transport through ice in the coherent limit. This is done by using the nonequilibrium Greens functions method, implemented within density functional theory, in the self-interaction corrected local density approximation. In particular, we explore different ice structures and different Au electrode surface orientations. By comparing the decay coefficient for different thicknesses to the ice complex band structure, we find that the electron transport occurs via tunneling with almost one-dimensional character. The slow decay of the current with the ice thickness is largely due to the small effective mass of the conduction electrons. Furthermore, we find that the calculated tunneling decay coefficients at the Fermi energy are not sensitive to the structural details of the junctions and are at the upper end of the experimental range for liquid water. This suggests that linear response transport measurements are not capable of distinguishing between different ordered ice structures. However, we also demonstrate that a finite bias measurement may be capable of sorting polar from nonpolar interfaces due to the asymmetry of the current-voltage curves for polar interfaces. © 2012 American Chemical Society.

A mechanistic model for radiation-induced crystallization and amorphization in U3Si

International Nuclear Information System (INIS)

Rest, J.

1994-06-01

Radiation-induced amorphization is assessed. A rate-theory model is formulated wherein amorphous clusters are formed by the damage event These clusters are considered centers of expansion (CE), or excess-free-volume zones. Simultaneously, centers of compression (CC) are created in the material. The CCs are local regions of increased density that travel through the material as an elastic (e.g., acoustic) shock wave. The CEs can be annihilated upon contact with CCs (annihilation probability depends on height of the energy barrier), forming either a crystallized region indistinguishable from the host material, or a region with a slight disorientation (recrystallized grain). Recrystallized grains grow by the accumulation of additional CCs. Full amorphization is calculated on the basis of achieving a fuel volume fraction consistent with the close packing of spherical entities. Amorphization of a recrystallized grain is hindered by the grain boundary. Preirradiation of U 3 Si above the critical temperature for amorphization results in of nanometer-size grains. Subsequent reirradiation below the critical temperature shows that the material has developed a resistance to radiation-induced amorphization higher dose needed to amorphize the preirradiated samples than now preirradiated samples. In the model, it is assumed that grain boundaries act as effective defect sinks, and that enhanced defect annihilation is responsible for retarding amorphization at low temperature. The calculations have been validated against data from ion-irradiation experiments with U 3 Si. To obtain additional validation, the model has also been applied to the ion-induced motion of the interface between crystalline and amorphous phases of U 3 Si. Results of this analysis are compared to data and results of calculations for ion bombardment of Si

Sputtering of amorphous carbon layers studied by laser induced fluorescence

International Nuclear Information System (INIS)

Pasch, E.

1992-07-01

In order to minimize the radiation losses, it is desirable to keep the plasmas in nuclear fusion devices free of high-Z-impurities. Therefore, the walls of TEXTOR and other tokamaks are covered with thin layers of amorphous carbon layers (a-C:H) or amorphous carbon/boron layers (a-C/B:H). The sputtering behaviour of these layers has been studied under bombardment by Ar + ions with energies of 1.5 keV and current densities of a few mA/cm 2 . Investigations of these coatings were carried out with the object to measure the velocity distribution of the sputtered atoms and the sputtered yields by laser induced fluorescence in the vacuum ultraviolet. (orig.)

First-principles study of the amorphous In3SbTe2 phase change compound

Science.gov (United States)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-11-01

Ab initio molecular dynamics simulations based on density functional theory were performed to generate amorphous models of the phase change compound In3SbTe2 by quenching from the melt. In-Sb and In-Te are the most abundant bonds with only a minor fraction of Sb-Te bonds. The bonding geometry in the amorphous phase is, however, strongly dependent on the density in the range 6.448-5.75 g/cm3 that we investigated. While at high density the bonding geometry of In atoms is mostly octahedral-like as in the cubic crystalline phase of the ternary compound In3SbTe2, at low density we observed a sizable fraction of tetrahedral-like geometries similar to those present in the crystalline phase of the two binary compounds InTe and InSb that the ternary system can be thought to be made of. We show that the different ratio between octahedral-like and tetrahedral-like bonding geometries has fingerprints in the optical and vibrational spectra.

Room temperature photoluminescence spectrum modeling of hydrogenated amorphous silicon carbide thin films by a joint density of tail states approach and its application to plasma deposited hydrogenated amorphous silicon carbide thin films

International Nuclear Information System (INIS)

Sel, Kıvanç; Güneş, İbrahim

2012-01-01

Room temperature photoluminescence (PL) spectrum of hydrogenated amorphous silicon carbide (a-SiC x :H) thin films was modeled by a joint density of tail states approach. In the frame of these analyses, the density of tail states was defined in terms of empirical Gaussian functions for conduction and valance bands. The PL spectrum was represented in terms of an integral of joint density of states functions and Fermi distribution function. The analyses were performed for various values of energy band gap, Fermi energy and disorder parameter, which is a parameter that represents the width of the energy band tails. Finally, the model was applied to the measured room temperature PL spectra of a-SiC x :H thin films deposited by plasma enhanced chemical vapor deposition system, with various carbon contents, which were determined by X-ray photoelectron spectroscopy measurements. The energy band gap and disorder parameters of the conduction and valance band tails were determined and compared with the optical energies and Urbach energies, obtained by UV–Visible transmittance measurements. As a result of the analyses, it was observed that the proposed model sufficiently represents the room temperature PL spectra of a-SiC x :H thin films. - Highlights: ► Photoluminescence spectra (PL) of the films were modeled. ► In the model, joint density of tail states and Fermi distribution function are used. ► Various values of energy band gap, Fermi energy and disorder parameter are applied. ► The model was applied to the measured PL of the films. ► The proposed model represented the room temperature PL spectrum of the films.

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.

Rational design of coaxial mesoporous birnessite manganese dioxide/amorphous-carbon nanotubes arrays for advanced asymmetric supercapacitors

KAUST Repository

Zhu, Shijin; Zhang, Jie; Ma, Junjun; Zhang, Yuxin; Yao, Kexin

2015-01-01

Coaxial mesoporous MnO2/amorphous-carbon nanotubes have been synthesized via a facile and cost-effective strategy at room temperature. The coaxial double nanotubes of inner (outer) MnO2 and outer (inner) amorphous carbon can be obtained via fine tuning the preparative factors (e.g., deposition order and processing temperature). Furthermore, the electrochemical properties of the coaxial nanotubes were evaluated by cycle voltammetric (CV) and galvanostatic charge-discharge (GC) measurements. The as-prepared coaxial double nanotubes of outer MnO2 and inner amorphous carbon exhibit the optimized pseudocapacitance performance (362 F g-1) with good cycling stability, and ideal rate capability owning to the unique nanostructures. When assembled into two-electrode asymmetric supercapacitor, an energy density of 22.56 W h kg-1 at a power density of 224.9 W kg-1 is obtained. These findings provide a new and facile approach to fabricate high-performance electrode for supercapacitors.

Rational design of coaxial mesoporous birnessite manganese dioxide/amorphous-carbon nanotubes arrays for advanced asymmetric supercapacitors

KAUST Repository

Zhu, Shijin

2015-03-01

Coaxial mesoporous MnO2/amorphous-carbon nanotubes have been synthesized via a facile and cost-effective strategy at room temperature. The coaxial double nanotubes of inner (outer) MnO2 and outer (inner) amorphous carbon can be obtained via fine tuning the preparative factors (e.g., deposition order and processing temperature). Furthermore, the electrochemical properties of the coaxial nanotubes were evaluated by cycle voltammetric (CV) and galvanostatic charge-discharge (GC) measurements. The as-prepared coaxial double nanotubes of outer MnO2 and inner amorphous carbon exhibit the optimized pseudocapacitance performance (362 F g-1) with good cycling stability, and ideal rate capability owning to the unique nanostructures. When assembled into two-electrode asymmetric supercapacitor, an energy density of 22.56 W h kg-1 at a power density of 224.9 W kg-1 is obtained. These findings provide a new and facile approach to fabricate high-performance electrode for supercapacitors.

Evaluation of optical properties of the amorphous carbon film on fused silica

International Nuclear Information System (INIS)

Baydogan, Nilguen Dogan

2004-01-01

Deposition was done using a pulsed filtered cathodic arc with a graphite cathode. The carbon plasma is fully ionised and condenses on the substrate, forming diamond-like material but with amorphous structure. Optical properties of amorphous carbon films on fused-silica glass were investigated and the curves of optical density have a characteristic band at approximately 950 nm. Changes of the colourimetric quantities were evaluated and compared to uncoated fused silica glass. These changes were investigated as a function of the applied substrate bias voltage using the CIE and CIELAB colour systems. It is suggested that the mechanism of absorption is related to an allowed direct transition at the amorphous carbon films on fused silica glass. The optical energy gap of the amorphous carbon film depends on the bias voltage applied to the substrate holder. The optical colour parameters and optical band gap indicated that there is a relation between the dominant wavelength of the reflectance in the visible range and the wavelength of the optical band gap

The Science of Solar System Ices

CERN Document Server

Castillo-Rogez, Julie

2013-01-01

The Science of Solar System Ices The role of laboratory research and simulations in advancing our understanding of solar system ices (including satellites, KBOs, comets, and giant planets) is becoming increasingly important. Understanding ice surface radiation processing, particle and radiation penetration depths, surface and subsurface chemistry, morphology, phases, density, conductivity, etc., are only a few examples of the inventory of issues that are being addressed by Earth-based laboratory research. As a response to the growing need for cross-disciplinary dialog and communication in the planetary ices science community, this book aims to foster focused collaborations among the observational, modeling, and laboratory research communities. The book is a compilation of articles from experts in ices: experimentalists, modelers, and observers (ground-based telescopes and space missions). Most of the contributors featured in this book are renowned experts in their respective fields. Many of these scientists h...

First in situ measurement of the vertical distribution of ice volume in a mesospheric ice cloud during the ECOMA/MASS rocket-campaign

Directory of Open Access Journals (Sweden)

M. Rapp

2009-02-01

Full Text Available We present in situ observations of mesospheric ice particles with a new particle detector which combines a classical Faraday cup with the active photoionization of particles and subsequent detection of photoelectrons. Our observations of charged particles and free electrons within a decaying PMSE-layer reveal that the presence of charged particles is a necessary but not sufficient condition for the presence of PMSE. That is, additional requirements like a sufficiently large electron density – which we here estimate to be on the order of ~100 cm−3 – and the presence of small scale structures (commonly assumed to be caused by turbulence need to be satisfied. Our photoelectron measurements reveal a very strong horizontal structuring of the investigated ice layer, i.e., a very broad layer (82–88 km seen on the upleg is replaced by a narrow layer from 84.5–86 km only 50 km apart on the downleg of the rocket flight. Importantly, the qualitative structure of these photoelectron profiles is in remarkable qualitative agreement with photometer measurements on the same rocket thus demonstrating the reliability of this new technique. We then show that the photoelectron currents are a unique function of the ice particle volume density (and hence ice mass within an uncertainty of only 15% and we derive corresponding altitude profiles of ice volume densities. Derived values are in the range ~2–8×10−14 cm3/cm3 (corresponding to mass densities of ~20–80 ng/m3, and water vapor mixing ratios of 3–12 ppm and are the first such estimates with the unique spatial resolution of an in situ measurement.

Sea Ice Properties and Processes. Proceedings of the W. F. Weeks Sea Ice Symposium Held In San Francisco, California on December 1988

Science.gov (United States)

1990-02-01

probability density functions lected on different types of laboratory grown saline ice and lake ice. Car- fromt Figure I Ofor different laborator y...advection effects as prescribed from a clima - The model is applied to the central gyre of the tological seasonal cycle. Various wind stresses repre

Low-energy electron irradiation induced top-surface nanocrystallization of amorphous carbon film

Science.gov (United States)

Chen, Cheng; Fan, Xue; Diao, Dongfeng

2016-10-01

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 sp2 nanocrystallites in the film top-surface within 4 nm thickness. The formation of sp2 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 sp2 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.

Polarization of positronium in amorphous polar polymers: A case study

Energy Technology Data Exchange (ETDEWEB)

Consolati, G., E-mail: giovanni.consolati@polimi.it; Quasso, F. [Department of Aerospace Science and Technology, Politecnico di Milano, via La Masa, 34, Milano 20156 (Italy)

2013-11-28

The features of positronium in an amorphous copolymer (polyvinyl acetate-crotonic acid) in a range of temperatures including the glass transition were investigated by means of positron annihilation lifetime spectroscopy. In particular, para-positronium lifetime was found to be longer than in a vacuum and to decrease with the temperature. This was attributed to the electron density at the positron (contact density), which is lower than in vacuo due to the presence of polar groups in the copolymer. A three quantum yield experiment confirmed the lifetime results.

Quantifying atom addition reactions on amorphous solid water: a review of recent laboratory advances

Science.gov (United States)

He, Jiao; Vidali, Gianfranco

2018-06-01

Complex organic molecules found in space are mostly formed on and in the ice mantle covering interstellar dust grains. In clouds where ionizing irradiation is insignificant, chemical reactions on the ice mantle are dominated by thermal processes. Modeling of grain surface chemistry requires detailed information from the laboratory, including sticking coefficients, binding energies, diffusion energy barriers, mechanism of reaction, and chemical desorption rates. In this talk, recent laboratory advances in obtaining these information would be reviewed. Specifically, this talk will focus on the efforts in our group in: 1) Determining the mechanism of atomic hydrogen addition reactions on amorphous solid water (ASW); 2) Measuring the chemical desorption coefficient of H+O3-->O2+OH using the time-resolved scattering technique; and 3) Measuring the diffusion energy barrier of volatile molecules on ASW. Further laboratory studies will be suggested.This research was supported by NSF Astronomy & Astrophysics Research Grant #1615897.

Ion implantation and amorphous metals

International Nuclear Information System (INIS)

Hohmuth, K.; Rauschenbach, B.

1981-01-01

This review deals with ion implantation of metals in the high concentration range for preparing amorphous layers (>= 10 at%, implantation doses > 10 16 ions/cm 2 ). Different models are described concerning formation of amorphous phases of metals by ion implantation and experimental results are given. The study of amorphous phases has been carried out by the aid of Rutherford backscattering combined with the channeling technique and using transmission electron microscopy. The structure of amorphous metals prepared by ion implantation has been discussed. It was concluded that amorphous metal-metalloid compounds can be described by a dense-random-packing structure with a great portion of metal atoms. Ion implantation has been compared with other techniques for preparing amorphous metals and the adventages have been outlined

Chemical Evolution of Interstellar Methanol Ice Analogs upon Ultraviolet Irradiation: The Role of the Substrate

Science.gov (United States)

Ciaravella, A.; Jiménez-Escobar, A.; Cosentino, G.; Cecchi-Pestellini, C.; Peres, G.; Candia, R.; Collura, A.; Barbera, M.; Di Cicca, G.; Varisco, S.; Venezia, A. M.

2018-05-01

An important issue in the chemistry of interstellar ices is the role of dust materials. In this work, we study the effect of an amorphous water-rich magnesium silicate deposited onto ZnSe windows on the chemical evolution of ultraviolet-irradiated methanol ices. For comparison, we also irradiate similar ices deposited onto bare ZnSe windows. Silicates are produced at relatively low temperatures exploiting a sol–gel technique. The chemical composition of the synthesized material reflects the forsterite stoichiometry. Si–OH groups and magnesium carbonates are incorporated during the process. The results show that the substrate material does affect the chemical evolution of the ice. In particular, the CO2/CO ratio within the ice is larger for methanol ices deposited onto the silicate substrate as a result of concurrent effects: the photolysis of carbonates present in the adopted substrate as a source of CO2, CO, and carbon and oxygen atoms; reactions of water molecules and hydroxyl radicals released from the substrate with the CO formed in the ice by the photolysis of the methanol ice; and changes in the structure and energy of the silicate surface by ultraviolet irradiation, leading to more favorable conditions for chemical reactions or catalysis at the grain surface. The results of our experiments allow such chemical effects contributed by the various substrate material components to be disentangled.

Heterogeneous ice nucleation of viscous secondary organic aerosol produced from ozonolysis of α-pinene

Science.gov (United States)

Ignatius, Karoliina; Kristensen, Thomas B.; Järvinen, Emma; Nichman, Leonid; Fuchs, Claudia; Gordon, Hamish; Herenz, Paul; Hoyle, Christopher R.; Duplissy, Jonathan; Garimella, Sarvesh; Dias, Antonio; Frege, Carla; Höppel, Niko; Tröstl, Jasmin; Wagner, Robert; Yan, Chao; Amorim, Antonio; Baltensperger, Urs; Curtius, Joachim; Donahue, Neil M.; Gallagher, Martin W.; Kirkby, Jasper; Kulmala, Markku; Möhler, Ottmar; Saathoff, Harald; Schnaiter, Martin; Tomé, Antonio; Virtanen, Annele; Worsnop, Douglas; Stratmann, Frank

2016-05-01

There are strong indications that particles containing secondary organic aerosol (SOA) exhibit amorphous solid or semi-solid phase states in the atmosphere. This may facilitate heterogeneous ice nucleation and thus influence cloud properties. However, experimental ice nucleation studies of biogenic SOA are scarce. Here, we investigated the ice nucleation ability of viscous SOA particles. The SOA particles were produced from the ozone initiated oxidation of α-pinene in an aerosol chamber at temperatures in the range from -38 to -10 °C at 5-15 % relative humidity with respect to water to ensure their formation in a highly viscous phase state, i.e. semi-solid or glassy. The ice nucleation ability of SOA particles with different sizes was investigated with a new continuous flow diffusion chamber. For the first time, we observed heterogeneous ice nucleation of viscous α-pinene SOA for ice saturation ratios between 1.3 and 1.4 significantly below the homogeneous freezing limit. The maximum frozen fractions found at temperatures between -39.0 and -37.2 °C ranged from 6 to 20 % and did not depend on the particle surface area. Global modelling of monoterpene SOA particles suggests that viscous biogenic SOA particles are indeed present in regions where cirrus cloud formation takes place. Hence, they could make up an important contribution to the global ice nucleating particle budget.

An empirical firn-densification model comprising ice-lences

DEFF Research Database (Denmark)

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

2005-01-01

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...... changes reflect a volume change of the ice sheet with no corresponding change of mass, i.e. a volume change that does not influence global sea level....

Nanocomposites of high-density polyethylene with amorphous calcium phosphate: in vitro biomineralization and cytocompatibility of human mesenchymal stem cells

International Nuclear Information System (INIS)

Hild, Nora; Fuhrer, Roland; Mohn, Dirk; Bubenhofer, Stephanie B; Grass, Robert N; Luechinger, Norman A; Stark, Wendelin J; Feldman, Kirill; Dora, Claudio

2012-01-01

Polyethylene is widely used as a component of implants in medicine. Composites made of high-density polyethylene (HDPE) containing different amounts of amorphous calcium phosphate nanoparticles were investigated concerning their in vitro biomedical performance. The nanoparticles were produced by flame spray synthesis and extruded with HDPE, the latter complying with Food and Drug Administration regulations. Mechanical properties such as Young's modulus and contact angle as well as in vitro biomineralization of the nanocomposites hot-pressed into thin films were evaluated. The deposition of a hydroxyapatite layer occurred upon immersion in simulated body fluid. Additionally, a cell culture study with human mesenchymal stem cells for six weeks allowed a primary assessment of the cytocompatibility. Viability assays (alamarBlue and lactate dehydrogenase detection) proved the absence of cytotoxic effects of the scaffolds. Microscopic images after hematoxylin and eosin staining confirmed typical growth and morphology. A preliminary experiment analyzed the alkaline phosphatase activity after two weeks. These findings motivate further investigations on bioactive HDPE in bone tissue engineering. (paper)

Nanocomposites of high-density polyethylene with amorphous calcium phosphate: in vitro biomineralization and cytocompatibility of human mesenchymal stem cells.

Science.gov (United States)

Hild, Nora; Fuhrer, Roland; Mohn, Dirk; Bubenhofer, Stephanie B; Grass, Robert N; Luechinger, Norman A; Feldman, Kirill; Dora, Claudio; Stark, Wendelin J

2012-10-01

Polyethylene is widely used as a component of implants in medicine. Composites made of high-density polyethylene (HDPE) containing different amounts of amorphous calcium phosphate nanoparticles were investigated concerning their in vitro biomedical performance. The nanoparticles were produced by flame spray synthesis and extruded with HDPE, the latter complying with Food and Drug Administration regulations. Mechanical properties such as Young's modulus and contact angle as well as in vitro biomineralization of the nanocomposites hot-pressed into thin films were evaluated. The deposition of a hydroxyapatite layer occurred upon immersion in simulated body fluid. Additionally, a cell culture study with human mesenchymal stem cells for six weeks allowed a primary assessment of the cytocompatibility. Viability assays (alamarBlue and lactate dehydrogenase detection) proved the absence of cytotoxic effects of the scaffolds. Microscopic images after hematoxylin and eosin staining confirmed typical growth and morphology. A preliminary experiment analyzed the alkaline phosphatase activity after two weeks. These findings motivate further investigations on bioactive HDPE in bone tissue engineering.

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.

Continuous Estimates of Surface Density and Annual Snow Accumulation with Multi-Channel Snow/Firn Penetrating Radar in the Percolation Zone, Western Greenland Ice Sheet

Science.gov (United States)

Meehan, T.; Marshall, H. P.; Bradford, J.; Hawley, R. L.; Osterberg, E. C.; McCarthy, F.; Lewis, G.; Graeter, K.

2017-12-01

A priority of ice sheet surface mass balance (SMB) prediction is ascertaining the surface density and annual snow accumulation. These forcing data can be supplied into firn compaction models and used to tune Regional Climate Models (RCM). RCMs do not accurately capture subtle changes in the snow accumulation gradient. Additionally, leading RCMs disagree among each other and with accumulation studies in regions of the Greenland Ice Sheet (GrIS) over large distances and temporal scales. RCMs tend to yield inconsistencies over GrIS because of sparse and outdated validation data in the reanalysis pool. Greenland Traverse for Accumulation and Climate Studies (GreenTrACS) implemented multi-channel 500 MHz Radar in multi-offset configuration throughout two traverse campaigns totaling greater than 3500 km along the western percolation zone of GrIS. The multi-channel radar has the capability of continuously estimating snow depth, average density, and annual snow accumulation, expressed at 95% confidence (+-) 0.15 m, (+-) 17 kgm-3, (+-) 0.04 m w.e. respectively, by examination of the primary reflection return from the previous year's summer surface.

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

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=¿V/¿T) of a-IGZO in thin-film transistors as a function of charge-carrier density for different

Development of an amorphous surge blocker for a high voltage acceleration power supply of the neutral beam injectors

International Nuclear Information System (INIS)

Mizuno, Makoto; Ohara, Yoshihiro; Watanabe, Kazuhiro; Ozaki, Akira.

1993-10-01

An amorphous surge blocker for a high voltage acceleration power supply for the neutral beam injectors has been developed. Since the saturation magnetic flux density of the amorphous core is higher than that of the ferrite core, the surge blocker made of amorphous cores can be reduced in size appreciably compared to the conventional ferrite surge blocker. A 350 kV, 0.05 volt-second amorphous surge blocker was designed, fabricated and tested. The amorphous core was made by winding an amorphous tape with a film for the layer insulation and was heat-treated to recover the magnetic characteristics. The core is molded by epoxy resin and installed in a FRP insulator tube filled with SF 6 gas for the insulation. The volt-second measured was higher than the designed value and the electrical breakdown along the cores and between layers was not observed. This test result shows that the amorphous surge blocker is applicable for a dc acceleration power supply for high energy neutral beam injectors. (author)

Properties of p-type amorphous silicon carbide window layers prepared using boron trifluoride

Energy Technology Data Exchange (ETDEWEB)

Gandia, J J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Gutierrez, M T [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Carabe, J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain)

1993-03-01

One set (A) of undoped and three sets (B, C and D) of doped hydrogenated amorphous silicon carbide samples have been made in the framework of a research plan for obtaining high quality p-type window layers by radiofrequency glow discharge of silane-based gas mixtures. The samples of sets A and B were made using different RF-power-density to mass-flow ratios for various methane percentages in the gas mixture. The best carbon incorporation in the amorphous silicon lattice was obtained at the highest RF-power density. The properties of sets C and D, prepared using different RF-power densities and silane and methane proportions have been analysed as functions of the concentration of boron trifluoride with respect to silane. In both cases, the optical gap E[sub G], after a slight initial decrease, remains at a value of approximately 2.1 eV without quenching in the doping ranges covered. The best conductivity obtained is 2x10[sup -7] ([Omega] cm)[sup -1]. IR spectra allow to associate these features with the structural quality of the films. (orig.)

Calorimetric study of water's two glass transitions in the presence of LiCl

Science.gov (United States)

Ruiz, Guadalupe N.; Amann-Winkel, Katrin; Bove, Livia E.; Corti, Horacio R.

2018-01-01

A DSC study of dilute glassy LiCl aqueous solutions in the water-dominated regime provides direct evidence of a glass-to-liquid transition in expanded high density amorphous (eHDA)-type solutions. Similarly, low density amorphous ice (LDA) exhibits a glass transition prior to crystallization to ice Ic. Both glass transition temperatures are independent of the salt concentration, whereas the magnitude of the heat capacity increase differs. By contrast to pure water, the glass transition endpoint for LDA can be accessed in LiCl aqueous solutions above 0.01 mole fraction. Furthermore, we also reveal the endpoint for HDA's glass transition, solving the question on the width of both glass transitions. This suggests that both equilibrated HDL and LDL can be accessed in dilute LiCl solutions, supporting the liquid–liquid transition scenario to understand water's anomalies. PMID:29442107

Diffusion of Lithium Ions in Amorphous and Crystalline Poly(ethylene oxide)_3:LiCF_3SO_3 Polymer Electrolytes

International Nuclear Information System (INIS)

Xue, Sha; Liu, Yingdi; Li, Yaping; Teeters, Dale; Crunkleton, Daniel W.; Wang, Sanwu

2017-01-01

The PEO_3:LiCF_3SO_3 polymer electrolyte has attracted significant research due to high conductivity and enhanced stability in lithium polymer batteries. Most experimental studies have shown that amorphous PEO lithium salt electrolytes have higher conductivity than the crystalline ones. Other studies, however, have shown that crystalline PEO salt complexes can conduct ions. As a result, further theoretical investigations are warranted to help clarify the issue. In this work, we use density functional theory with the climbing image nudged elastic band method to investigate the atomic-scale mechanism of lithium ion transport in the polymer electrolytes. We also use density functional theory and ab initio molecular dynamics simulations to obtain the amorphous structure of PEO_3:LiCF_3SO_3. The diffusion pathways and activation energies of lithium ions in both crystalline and amorphous PEO_3:LiCF_3SO_3 are determined. In crystalline PEO_3:LiCF_3SO_3, the activation energy for the low-barrier diffusion pathway is approximately 1.0 eV. In the amorphous phase, the value is 0.6 eV. This result would support the experimental observation that amorphous PEO_3:LiCF_3SO_3 has higher ionic conductivity than the crystalline phase.

First in situ measurement of the vertical distribution of ice volume in a mesospheric ice cloud during the ECOMA/MASS rocket-campaign

Energy Technology Data Exchange (ETDEWEB)

Rapp, M.; Strelnikova, I.; Strelnikov, B. [Leibniz-Institute of Atmospheric Physics, Kuehlungsborn (DE)] (and others)

2009-07-01

We present in situ observations of mesospheric ice particles with a new particle detector which combines a classical Faraday cup with the active photoionization of particles and subsequent detection of photoelectrons. Our observations of charged particles and free electrons within a decaying PMSE-layer reveal that the presence of charged particles is a necessary but not sufficient condition for the presence of PMSE. That is, additional requirements like a sufficiently large electron density - which we here estimate to be on the order of {proportional_to}100 cm{sup -3} - and the presence of small scale structures (commonly assumed to be caused by turbulence) need to be satisfied. Our photoelectron measurements reveal a very strong horizontal structuring of the investigated ice layer, i.e., a very broad layer (82-88 km) seen on the upleg is replaced by a narrow layer from 84.5-86 km only 50 km apart on the downleg of the rocket flight. Importantly, the qualitative structure of these photoelectron profiles is in remarkable qualitative agreement with photometer measurements on the same rocket thus demonstrating the reliability of this new technique. We then show that the photoelectron currents are a unique function of the ice particle volume density (and hence ice mass) within an uncertainty of only 15% and we derive corresponding altitude profiles of ice volume densities. Derived values are in the range {proportional_to}2-8 x 10{sup -14} cm{sup 3}/cm{sup 3} (corresponding to mass densities of {proportional_to}20-80 ng/m{sup 3}, and water vapor mixing ratios of 3-12 ppm) and are the first such estimates with the unique spatial resolution of an in situ measurement. (orig.)

First in situ measurement of the vertical distribution of ice volume in a mesospheric ice cloud during the ECOMA/MASS rocket-campaign

Directory of Open Access Journals (Sweden)

M. Rapp

2009-02-01

Full Text Available We present in situ observations of mesospheric ice particles with a new particle detector which combines a classical Faraday cup with the active photoionization of particles and subsequent detection of photoelectrons. Our observations of charged particles and free electrons within a decaying PMSE-layer reveal that the presence of charged particles is a necessary but not sufficient condition for the presence of PMSE. That is, additional requirements like a sufficiently large electron density – which we here estimate to be on the order of ~100 cm⁻³ – and the presence of small scale structures (commonly assumed to be caused by turbulence need to be satisfied. Our photoelectron measurements reveal a very strong horizontal structuring of the investigated ice layer, i.e., a very broad layer (82–88 km seen on the upleg is replaced by a narrow layer from 84.5–86 km only 50 km apart on the downleg of the rocket flight. Importantly, the qualitative structure of these photoelectron profiles is in remarkable qualitative agreement with photometer measurements on the same rocket thus demonstrating the reliability of this new technique. We then show that the photoelectron currents are a unique function of the ice particle volume density (and hence ice mass within an uncertainty of only 15% and we derive corresponding altitude profiles of ice volume densities. Derived values are in the range ~2–8×10⁻¹⁴ cm³/cm³ (corresponding to mass densities of ~20–80 ng/m³, and water vapor mixing ratios of 3–12 ppm and are the first such estimates with the unique spatial resolution of an in situ measurement.

Ion-beam doping of amorphous silicon with germanium isovalent impurity

International Nuclear Information System (INIS)

Khokhlov, A.F.; Mashin, A.I.; Ershov, A.V.; Mashin, N.I.; Ignat'eva, E.A.

1988-01-01

Experimental data on ion-beam doping of amorphous silicon containing minor germanium additions by donor and acceptor impurity are presented. Doping of a-Si:Ge films as well as of a-Si layers was performed by implantation of 40 keV energy B + ions or 120 keV energy phosphorus by doses from 3.2x10 13 up to 1.3x10 17 cm -2 . Ion current density did not exceed 1 μA/cm 2 . Radiation defect annealing was performed at 400 deg C temperature during 30 min. Temperature dependences of conductivity in the region of 160-500 K were studied. It is shown that a-Si:Ge is like hydrogenized amorphous silicon in relation to doping

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.

Glass polymorphism in amorphous germanium probed by first-principles computer simulations

Science.gov (United States)

Mancini, G.; Celino, M.; Iesari, F.; Di Cicco, A.

2016-01-01

The low-density (LDA) to high-density (HDA) transformation in amorphous Ge at high pressure is studied by first-principles molecular dynamics simulations in the framework of density functional theory. Previous experiments are accurately reproduced, including the presence of a well-defined LDA-HDA transition above 8 GPa. The LDA-HDA density increase is found to be about 14%. Pair and bond-angle distributions are obtained in the 0-16 GPa pressure range and allowed us a detailed analysis of the transition. The local fourfold coordination is transformed in an average HDA sixfold coordination associated with different local geometries as confirmed by coordination number analysis and shape of the bond-angle distributions.

Electrodeposition of amorphous Ni-P coatings onto Nd-Fe-B permanent magnet substrates

Energy Technology Data Exchange (ETDEWEB)

Ma, C.B [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China); Cao, F.H [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China); Zhang, Z. [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China)]. E-mail: eaglezzy@zjuem.zju.edu.cn; Zhang, J.Q [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China); State Key Laboratory for Corrosion and Protection of Metals, Institute of Metal Research, The Chinese Academy of Sciences, Shenyang 110016 (China)

2006-12-15

Decorative and protective Ni-P amorphous coatings were electroplated onto NdFeB permanent magnet from an ortho-phosphorous acid contained bath. The influences of the main electroplating technological parameters including current density, bath pH, bath temperature and H{sub 3}PO{sub 3} on the structure and chemical composition of Ni-P coatings were investigated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques in conjunction with X-ray diffraction (XRD), scanning transmission electron microscopy (SEM) and X-ray energy-dispersive spectrometry (EDX). The optimized amorphous Ni-P coated NdFeB can stand for ca. 180 h against neutral 3.0 wt.% NaCl salt spray without any pitting corrosion. Meanwhile, the results also showed that large phosphorous content is the precondition for Ni-P coatings to possess the amorphous structure, but too much high phosphorous content can damage the amorphous structure due to the separation of superfluous P from Ni{sub 2}P/Ni{sub 3}P and the resultant formation of multi-phase coatings (such as Ni{sub 2}P-P)

Perpendicular magnetic anisotropy of amorphous ferromagnetic CoSiB/[Pt,Au] multilayer

International Nuclear Information System (INIS)

Jeong, S.; Yim, H. I.

2012-01-01

Perpendicular magnetic anisotropy is being widely studied as a possible candidate for a high density spin-transfer torque magnetic random access memory. The key issues of a high-density spin-transfer torque magnetic random access memory are decreasing the switching current and the high thermal stability. In order to solve these problems, two approaches are suggested: One is the development a new amorphous ferromagnetic material as a pinned layer for a multilayer with a low saturated magnetization (M s ) value because of the interface roughness between the two layers. The other is a search for the most suitable materials with high perpendicular magnetic anisotropy in order to have high thermal stability. In this work, we present an amorphous ferromagnetic Co 75 Si 15 B 10 material and compare the magnetic properties of a [CoSiB (0.3, 0.4, 0.5 nm)/Pt (1.4 nm)] 5 multilayer and new combinations [CoSiB (0.3, 0.4, 0.5 nm)/Au (1.5 nm)] 5 .

Observations of the interstellar ice grain feature in the Taurus molecular clouds

International Nuclear Information System (INIS)

Whittet, D.C.B.; Longmore, A.J.; Baines, D.W.T.; Evans, A.

1984-01-01

Although water ice was originally proposed as a major constituent of the interstellar grain population, the advent of infrared astronomy has shown that the expected absorption due to O-H stretching vibrations at 3 μm is illusive. Observations have in fact revealed that the carrier of this feature is apparently restricted to regions deep within dense molecular clouds. However, the exact carrier of this feature is still controversial, and many questions remain as to the conditions required for its appearance. The Taurus molecular clouds were selected for observations, in the form of a preliminary survey in the 2-4 μm window. It is concluded that the carrier of the 3μm absorption feature appears to reside in the general cloud medium and is probably amorphous water ice. (author)

Possibility for hole doping into amorphous InGaZnO4 films prepared by RF sputtering

International Nuclear Information System (INIS)

Kobayashi, Kenkichiro; Kohno, Yoshiumi; Tomita, Yasumasa; Maeda, Yasuhisa; Matsushima, Shigenori

2011-01-01

Amorphous InGaZnO 4 (IGZO) films codoped with Al and N atoms were prepared by sputtering of targets consisting of IGZO and AlN powders in Ar + O 2 atmospheres. No hole-conductivity is seen in films deposited at 2 x 10 -3 Torr, whereas hole-conductivity is found in films deposited at 2 x 10 -2 Torr at radio frequency powers of 60-80 W in 0.3-0.6% O 2 atmospheres. The amorphous p-type IGZO film has the resistivity of 210 Wcm, hole-density of 7.5 x 10 17 cm -3 , and mobility of 0.4 cm 2 /Vs. The rectification characteristic is obtained for a device constructed from Au, amorphous p-type IGZO, and amorphous n-type IGZO. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Small scale variability of snow properties on Antarctic sea ice

Science.gov (United States)

Wever, Nander; Leonard, Katherine; Paul, Stephan; Jacobi, Hans-Werner; Proksch, Martin; Lehning, Michael

2016-04-01

Snow on sea ice plays an important role in air-ice-sea interactions, as snow accumulation may for example increase the albedo. Snow is also able to smooth the ice surface, thereby reducing the surface roughness, while at the same time it may generate new roughness elements by interactions with the wind. Snow density is a key property in many processes, for example by influencing the thermal conductivity of the snow layer, radiative transfer inside the snow as well as the effects of aerodynamic forcing on the snowpack. By comparing snow density and grain size from snow pits and snow micro penetrometer (SMP) measurements, highly resolved density and grain size profiles were acquired during two subsequent cruises of the RV Polarstern in the Weddell Sea, Antarctica, between June and October 2013. During the first cruise, SMP measurements were done along two approximately 40 m transects with a horizontal resolution of approximately 30 cm. During the second cruise, one transect was made with approximately 7.5 m resolution over a distance of 500 m. Average snow densities are about 300 kg/m3, but the analysis also reveals a high spatial variability in snow density on sea ice in both horizontal and vertical direction, ranging from roughly 180 to 360 kg/m3. This variability is expressed by coherent snow structures over several meters. On the first cruise, the measurements were accompanied by terrestrial laser scanning (TLS) on an area of 50x50 m2. The comparison with the TLS data indicates that the spatial variability is exhibiting similar spatial patterns as deviations in surface topology. This suggests a strong influence from surface processes, for example wind, on the temporal development of density or grain size profiles. The fundamental relationship between variations in snow properties, surface roughness and changes therein as investigated in this study is interpreted with respect to large-scale ice movement and the mass balance.

Laboratory Studies of Ethane Ice Relevant to Outer Solar System Surfaces

Science.gov (United States)

Moore, Marla H.; Hudson, Reggie; Raines, Lily

2009-01-01

Oort Cloud comets, as well as TNOs Makemake (2045 FYg), Quaoar, and Pluto, are known to contain ethane. However, even though this molecule is found on several outer Solar System objects relatively little information is available about its amorphous and crystalline phases. In new experiments, we have prepared ethane ices at temperatures applicable to the outer Solar System, and have heated and ion-irradiated these ices to study phase changes and ethane's radiation chemistry using mid-IR spectroscopy (2.2 - 16.6 microns). Included in our work is the meta-stable phase that exists at 35 - 55 K. These results, including newly obtained optical constants, are relevant to ground-based observational campaigns, the New Horizons mission, and supporting laboratory work. An improved understanding of solid-phase ethane may contribute to future searches for this and other hydrocarbons in the outer Solar System.

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 %).

Positrons in amorphous alloys

International Nuclear Information System (INIS)

Moser, Pierre.

1981-07-01

Positron annihilation techniques give interesting informations about ''empty spaces'' in amorphous alloys. The results of an extensive research work on the properties of either pre-existing or irradiation induced ''empty spaces'' in four amorphous alloys are presented. The pre-existing empty spaces appear to be small vacancy-like defects. The irradiation induced defects are ''close pairs'' with widely distributed configurations. There is a strong interaction between vacancy like and interstitial like components. A model is proposed, which explains the radiation resistance mechanism of the amorphous alloys. An extensive joint research work to study four amorphous alloys, Fe 80 B 20 ,Fe 40 Ni 40 P 14 B 6 , Cu 50 Ti 50 , Pd 80 Si 20 , is summarized

Adsorption of selenium by amorphous iron oxyhydroxide and manganese dioxide

Science.gov (United States)

Balistrieri, L.S.; Chao, T.T.

1990-01-01

is reflected in decreasing equilibrium constants for selenite with increasing adsorption density and both experimental observations and modeling results suggest that manganese dioxide has fewer sites of higher energy for selenite adsorption than amorphous iron oxyhydroxide. Modeling and interpreting the adsorption of phosphate, molybdate, and silicate on the oxides are made difficult by the lack of constraint in choosing surface species and the fact that equally good fits can be obtained with different surface species. Finally, predictions of anion competition using the model results from single adsorbate systems are not very successful because the model does not account for surface site heterogeneity. Selenite adsorption data from a multi-adsorbate system could be fit if the equilibrium constant for selenite is decreased with increasing anion adsorption density. ?? 1990.

Determination of CME 3D parameters based on a new full ice-cream cone model

Science.gov (United States)

Na, Hyeonock; Moon, Yong-Jae

2017-08-01

In space weather forecast, it is important to determine three-dimensional properties of CMEs. Using 29 limb CMEs, we examine which cone type is close to a CME three-dimensional structure. We find that most CMEs have near full ice-cream cone structure which is a symmetrical circular cone combined with a hemisphere. We develop a full ice-cream cone model based on a new methodology that the full ice-cream cone consists of many flat cones with different heights and angular widths. By applying this model to 12 SOHO/LASCO halo CMEs, we find that 3D parameters from our method are similar to those from other stereoscopic methods (i.e., a triangulation method and a Graduated Cylindrical Shell model). In addition, we derive CME mean density (ρmean=Mtotal/Vcone) based on the full ice-cream cone structure. For several limb events, we determine CME mass by applying the Solarsoft procedure (e.g., cme_mass.pro) to SOHO/LASCO C3 images. CME volumes are estimated from the full ice-cream cone structure. From the power-law relationship between CME mean density and its height, we estimate CME mean densities at 20 solar radii (Rs). We will compare the CME densities at 20 Rs with their corresponding ICME densities.

Electronic structure effects in liquid water studied by photoelectron spectroscopy and density functional theory

Energy Technology Data Exchange (ETDEWEB)

Nordlund, Dennis; Odelius, Michael; Bluhm, Hendrik; Ogasawara, Hirohito; Pettersson, Lars G.M.; Nilsson, Anders

2008-04-29

We present valence photoelectron emission spectra of liquid water in comparison with gas-phase water, ice close to the melting point, low temperature amorphous and crystalline ice. All aggregation states have major electronic structure changes relative to the free molecule, with rehybridization and development of bonding and anti-bonding states accompanying the hydrogen bond formation. Sensitivity to the local structural order, most prominent in the shape and splitting of the occupied 3a{sub 1} orbital, is understood from the electronic structure averaging over various geometrical structures, and reflects the local nature of the orbital interaction.

Calculation of amorphous silica solubilities at 25° to 300°C and apparent cation hydration numbers in aqueous salt solutions using the concept of effective density of water

Science.gov (United States)

Fournier, Robert O.; Williams, Marshall L.

1983-01-01

The solubility of amorphous silica in aqueous salt solutions at 25° to 300°C can be calculated using information on its solubility in pure water and a model in which the activity of water in the salt solution is defined to equal the effective density. pe, of “free” water in that solution. At temperatures of 100°C and above, pe closely equals the product of the density of the solution times the weight fraction of water in the solution. At 25°C, a correction parameter must be applied to pe that incorporates a term called the apparent cation hydration number, h. Because of the many assumptions and other uncertainties involved in determining values of h, by the model used here, the reported numbers are not necessarily real hydration numbers even though they do agree with some published values determined by activity and diffusion methods. Whether or not h is a real hydration number, it would appear to be useful in its inclusion within a more extensive activity coefficient term that describes the departure of silica solubilities in concentrated salt solutions from expected behavior according to the model presented here. Values of h can be calculated from measured amorphous silica solubilities in salt solutions at 25°C provided there is no complexing of dissolved silica with the dissolved salt, or if the degree of complexing is known. The previously postulated aqueous silica-sulfate complexing in aqueous Na2SO4 solutions is supported by results of the present effective density of water model

Laser-induced cracks in ice due to temperature gradient and thermal stress

Science.gov (United States)

Yang, Song; Yang, Ying-Ying; Zhang, Jing-Yuan; Zhang, Zhi-Yan; Zhang, Ling; Lin, Xue-Chun

2018-06-01

This work presents the experimental and theoretical investigations on the mechanism of laser-induce cracks in ice. The laser-induced thermal gradient would generate significant thermal stress and lead to the cracking without thermal melting in the ice. The crack density induced by a pulsed laser in the ice critically depends on the laser scanning speed and the size of the laser spot on the surface, which determines the laser power density on the surface. A maximum of 16 cracks within an area of 17 cm × 10 cm can be generated when the laser scanning speed is at 10 mm/s and the focal point of the laser is right on the surface of the ice with a laser intensity of ∼4.6 × 107 W/cm2. By comparing the infrared images of the ice generated at various experimental conditions, it was found that a larger temperature gradient would result in more laser-induced cracks, while there is no visible melting of the ice by the laser beam. The data confirm that the laser-induced thermal stress is the main cause of the cracks created in the ice.

Vibrational and optical properties of amorphous metals: Progress report, July 1, 1987--June 30, 1988

International Nuclear Information System (INIS)

Lannin, J.S.

1988-02-01

Substantial progress has been achieved in the three areas of Raman scattering, inelastic neutron scattering and optical studies of amorphous metal alloys. In the Raman area, studies of amorphous disilicides of Ni and W, a-NiSi 2 and a-WSi 2 , were obtained that provide information on both the dynamics and short range order in the amorphous phase. Measurements of the Raman spectra have been compared to the neutron weighted densities of states of the corresponding crystalline systems. A detailed evaluation of the inelastic neutron spectra of the concentrated Ni alloy of a-Ni/sub .95/Tb/sub .05/ has recently been completed. Optical measurements of the real and imaginary parts of the dielectric function of a-Ni/sub .95/Tb/sub .05/ were also performed during this year using the technique of spectroscopic ellipsometry. Raman scattering measurements were performed on the amorphous state of the counterpart of the high temperature superconductor of crystalline YBa 2 Cu 3 O/sub x/

Geophysical Investigations of Habitability in Ice-Covered Ocean Worlds

Science.gov (United States)

Vance, Steven D.; Panning, Mark P.; Stähler, Simon; Cammarano, Fabio; Bills, Bruce G.; Tobie, Gabriel; Kamata, Shunichi; Kedar, Sharon; Sotin, Christophe; Pike, William T.; Lorenz, Ralph; Huang, Hsin-Hua; Jackson, Jennifer M.; Banerdt, Bruce

2018-01-01

Geophysical measurements can reveal the structures and thermal states of icy ocean worlds. The interior density, temperature, sound speed, and electrical conductivity thus characterize their habitability. We explore the variability and correlation of these parameters using 1-D internal structure models. We invoke thermodynamic consistency using available thermodynamics of aqueous MgSO4, NaCl (as seawater), and NH3; pure water ice phases I, II, III, V, and VI; silicates; and any metallic core that may be present. Model results suggest, for Europa, that combinations of geophysical parameters might be used to distinguish an oxidized ocean dominated by MgSO4 from a more reduced ocean dominated by NaCl. In contrast with Jupiter's icy ocean moons, Titan and Enceladus have low-density rocky interiors, with minimal or no metallic core. The low-density rocky core of Enceladus may comprise hydrated minerals or anhydrous minerals with high porosity. Cassini gravity data for Titan indicate a high tidal potential Love number (k2>0.6), which requires a dense internal ocean (ρocean>1,200 kg m-3) and icy lithosphere thinner than 100 km. In that case, Titan may have little or no high-pressure ice, or a surprisingly deep water-rock interface more than 500 km below the surface, covered only by ice VI. Ganymede's water-rock interface is the deepest among known ocean worlds, at around 800 km. Its ocean may contain multiple phases of high-pressure ice, which will become buoyant if the ocean is sufficiently salty. Callisto's interior structure may be intermediate to those of Titan and Europa, with a water-rock interface 250 km below the surface covered by ice V but not ice VI.

Optical waveguiding in amorphous tellurium oxide thin films

Energy Technology Data Exchange (ETDEWEB)

Nayak, Ranu; Gupta, Vinay; Dawar, A.L.; Sreenivas, K

2003-11-24

Optical waveguiding characteristics of amorphous TeO{sub 2-x} films deposited by reactive sputtering under different O{sub 2}:Ar gas mixtures are investigated on fused quartz and Corning glass substrates. Infra-red absorption band in the range 641-658 cm{sup -1} confirmed the formation of a Te-O bond, and a 20:80 O{sub 2}:Ar gas mixture ratio is found to be optimum for achieving highly uniform and transparent films at a high deposition rate. As grown amorphous films exhibited a large band gap (3.76 eV); a high refractive index value (2.042-2.052) with low dispersion over a wide wavelength range of 500-2000 nm. Optical waveguiding with low propagation loss of 0.26 dB/cm at 633 nm is observed on films subjected to a post-deposition annealing treatment at 200 deg. C. Packing density and etch rates have been determined and correlated with the lowering of optical propagation loss in the annealed films.

Crystalline and amorphous solid phases in the classical hard sphere system

International Nuclear Information System (INIS)

Aguilera-Navarro, V.C.; Souza, R.F.T.; Llano, M. de; Mini, S.

1984-01-01

A qualitative crystalline, as well as amorphous, solid behavior is simultaneously extracted for a classical hard sphere system from its known virial power series expansion in the density augmented by only one further virial coefficient, taken from an extrapolated estimate of the Cauchy-Hadamard radius of convergence criterion. Results are compared with computer simulation data. (Author) [pt

First principles simulation of amorphous InSb

Science.gov (United States)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-05-01

Ab initio molecular dynamics simulations based on density functional theory have been performed to generate a model of amorphous InSb by quenching from the melt. The resulting network is mostly tetrahedral with a minor fraction (10%) of atoms in a fivefold coordination. The structural properties are in good agreement with available x-ray diffraction and extended x-ray-absorption fine structure data and confirm the proposed presence of a sizable fraction of homopolar In-In and Sb-Sb bonds whose concentration in our model amounts to about 20% of the total number of bonds.

γ-irradiation effect on electronic properties in hydrogenated amorphous silicon

International Nuclear Information System (INIS)

Shirafuji, J.; Nagata, S.; Shirakawa, K.

1986-01-01

γ-irradiation effect on electron transport and photoelectric properties in glow-discharge hydrogenated amorphous silicon is investigated mainly by means of time-of-flight measurement. Although the electron transport changes from non-dispersive to dispersive when the total dose on γ-rays is increased, the electron mobility at room temperature is affected only slightly by γ-irradiation. The γ-irradiation introduces dominantly Si dangling bonds, allowing to study the recombination characteristic as a function of dangling bond density under controllable conditions. It is found that the electron recombination lifetime is inversely proportional to the dangling bond density. (author)

Amorphous-tetrahedral diamondlike carbon layered structures resulting from film growth energetics

Science.gov (United States)

Siegal, M. P.; Barbour, J. C.; Provencio, P. N.; Tallant, D. R.; Friedmann, T. A.

1998-08-01

High-resolution transmission electron microscopy (HRTEM) shows that amorphous-tetrahedral diamondlike carbon (a-tC) films grown by pulsed-laser deposition on Si(100) consist of three-to-four layers, depending on the growth energetics. We estimate the density of each layer using both HRTEM image contrast and Rutherford backscattering spectrometry. The first carbon layer and final surface layer have relatively low density. The bulk of the film between these two layers has higher density. For films grown under the most energetic conditions, there exists a superdense a-tC layer between the interface and bulk layers. The density of all four layers, and the thickness of the surface and interfacial layers, correlate well with the energetics of the depositing carbon species.

Structural amorphous steels

International Nuclear Information System (INIS)

Lu, Z.P.; Liu, C.T.; Porter, W.D.; Thompson, J.R.

2004-01-01

Recent advancement in bulk metallic glasses, whose properties are usually superior to their crystalline counterparts, has stimulated great interest in fabricating bulk amorphous steels. While a great deal of effort has been devoted to this field, the fabrication of structural amorphous steels with large cross sections has remained an alchemist's dream because of the limited glass-forming ability (GFA) of these materials. Here we report the discovery of structural amorphous steels that can be cast into glasses with large cross-section sizes using conventional drop-casting methods. These new steels showed interesting physical, magnetic, and mechanical properties, along with high thermal stability. The underlying mechanisms for the superior GFA of these materials are discussed

Mass balance of the Antarctic ice sheet.

Science.gov (United States)

Wingham, D J; Shepherd, A; Muir, A; Marshall, G J

2006-07-15

The Antarctic contribution to sea-level rise has long been uncertain. While regional variability in ice dynamics has been revealed, a picture of mass changes throughout the continental ice sheet is lacking. Here, we use satellite radar altimetry to measure the elevation change of 72% of the grounded ice sheet during the period 1992-2003. Depending on the density of the snow giving rise to the observed elevation fluctuations, the ice sheet mass trend falls in the range -5-+85Gtyr-1. We find that data from climate model reanalyses are not able to characterise the contemporary snowfall fluctuation with useful accuracy and our best estimate of the overall mass trend-growth of 27+/-29Gtyr-1-is based on an assessment of the expected snowfall variability. Mass gains from accumulating snow, particularly on the Antarctic Peninsula and within East Antarctica, exceed the ice dynamic mass loss from West Antarctica. The result exacerbates the difficulty of explaining twentieth century sea-level rise.

The effect of sea ice on the solar energy budget in the astmosphere-sea ice-ocean system: A model study

Science.gov (United States)

Jin, Z.; Stamnes, Knut; Weeks, W. F.; Tsay, Si-Chee

1994-01-01

A coupled one-dimensional multilayer and multistream radiative transfer model has been developed and applied to the study of radiative interactions in the atmosphere, sea ice, and ocean system. The consistent solution of the radiative transfer equation in this coupled system automatically takes into account the refraction and reflection at the air-ice interface and allows flexibility in choice of stream numbers. The solar radiation spectrum (0.25 micron-4.0 micron) is divided into 24 spectral bands to account adequately for gaseous absorption in the atmosphere. The effects of ice property changes, including salinity and density variations, as well as of melt ponds and snow cover variations over the ice on the solar energy distribution in the entire system have been studied quantitatively. The results show that for bare ice it is the scattering, determined by air bubbles and brine pockets, in just a few centimeters of the top layer of ice that plays the most important role in the solar energy absorption and partitioning in the entire system. Ice thickness is important to the energy distribution only when the ice is thin, while the absorption in the atmosphere is not sensitive to ice thickness exceeds about 70 cm. The presence of clouds moderates all the sensitivities of the absorptive amounts in each layer to the variations in the ice properties and ice thickness. Comparisons with observational spectral albedo values for two simple ice types are also presented.

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...

Modeling and Grid Generation of Iced Airfoils

Science.gov (United States)

Vickerman, Mary B.; Baez, Marivell; Braun, Donald C.; Hackenberg, Anthony W.; Pennline, James A.; Schilling, Herbert W.

2007-01-01

SmaggIce Version 2.0 is a software toolkit for geometric modeling and grid generation for two-dimensional, singleand multi-element, clean and iced airfoils. A previous version of SmaggIce was described in Preparing and Analyzing Iced Airfoils, NASA Tech Briefs, Vol. 28, No. 8 (August 2004), page 32. To recapitulate: Ice shapes make it difficult to generate quality grids around airfoils, yet these grids are essential for predicting ice-induced complex flow. This software efficiently creates high-quality structured grids with tools that are uniquely tailored for various ice shapes. SmaggIce Version 2.0 significantly enhances the previous version primarily by adding the capability to generate grids for multi-element airfoils. This version of the software is an important step in streamlining the aeronautical analysis of ice airfoils using computational fluid dynamics (CFD) tools. The user may prepare the ice shape, define the flow domain, decompose it into blocks, generate grids, modify/divide/merge blocks, and control grid density and smoothness. All these steps may be performed efficiently even for the difficult glaze and rime ice shapes. Providing the means to generate highly controlled grids near rough ice, the software includes the creation of a wrap-around block (called the "viscous sublayer block"), which is a thin, C-type block around the wake line and iced airfoil. For multi-element airfoils, the software makes use of grids that wrap around and fill in the areas between the viscous sub-layer blocks for all elements that make up the airfoil. A scripting feature records the history of interactive steps, which can be edited and replayed later to produce other grids. Using this version of SmaggIce, ice shape handling and grid generation can become a practical engineering process, rather than a laborious research effort.

Structural and dynamical properties of the Cu{sub 46}Zr{sub 54} alloy in crystalline, amorphous and liquid state: A molecular dynamic study

Energy Technology Data Exchange (ETDEWEB)

Valencia-Balvin, Camilo, E-mail: cavalen@fisica.udea.edu.c [Instituto de Fisica, Universidad de Antioquia, A.A. 1226 Medellin (Colombia); ITM Institucion Universitaria, A.A 54959 Medellin (Colombia); Loyola, Claudia [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Osorio-Guillen, Jorge [Instituto de Fisica, Universidad de Antioquia, A.A. 1226 Medellin (Colombia); Gutierrez, Gonzalo [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile)

2010-12-15

Molecular dynamics simulations for the crystal, amorphous and liquid Cu{sub 46}Zr{sub 54} alloy were carried out on a system with up to 2000 particles, using a pairwise potential of the Rosato-Guillope-Legrand type. All simulations were done in the microcanonical ensemble, for a initial density of 5.76 g/cm{sup 3}, at different temperatures. A detailed analysis has been made by means of the pair-correlation function, coordination number, angle distribution, diffusion coefficient and vibrational density of states. We compared the main peaks of the amorphous phase with experimental data, obtaining a good agreement. The analysis of coordination number for the amorphous phase shows that the main building block of this phase are distorted icosahedron.

Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying

Directory of Open Access Journals (Sweden)

Goedele Craye

2015-12-01

Full Text Available 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.

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.

Applications in the Nuclear Industry for Corrosion-Resistant Amorphous-Metal Thermal-Spray Coatings

International Nuclear Information System (INIS)

Farmer, J; Choi, J

2007-01-01

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

The influence of structural changes on electrical and magnetic characteristics of amorphous powder of the nixmoy alloy

Directory of Open Access Journals (Sweden)

Ribić-Zelenović Lenka

2006-01-01

Full Text Available Nickel and molybdenum alloy powder was electrodeposited on a titanium cathode from a NiSO4⋅7H2O and (NH46 Mo7O24⋅4H2O ammonium solution. The desired chemical composition, structure, size and shape of particles in the powder samples were achieved by an appropriate choice of electrolysis parameters (current density, composition and temperature of the solution, cathode material and electrolysis duration. Metal coatings form in the current density range 15 mA cm-2density is greater than 40mA cm-2 then powders form. The chemical composition of powder samples depends on the current density of electrodeposition. The molybdenum content in the powder increases with the increase of current density (in the low current density range, while in the higher current density range the molybdenum content in the alloy decreases with the increase of the current density of deposition. Smaller sized particles form at higher current density. X-ray analysis, differential scanning calorimetric and measurements of the temperature dependence of electric resistance and magnetic permeability of the powder samples were all used to establish a predominantly amorphous structure of the powder samples formed at the current density of j≥70mA cm-2. The crystalline particle content in the powder samples increases with the decrease of the current density of deposition. Powder heating causes structural changes. The process of thermal stabilization of nickel and molybdenum amorphous powders takes place in the temperature interval from 463K to 573K and causes a decrease in electrical resistance and increase in magnetic permeability. The crystallization temperature depends on the value of current density of powder electrodeposition. Powder formed at j=180 mA cm-2 begins to crystallize at 573K, while the powder deposited at j=50 mA cm-2 begins to crystallize at 673K. Crystallization of the powder causes a decrease in electric resistivity and magnetic

Hydrogen in disordered and amorphous solids

International Nuclear Information System (INIS)

Bambakidis, G; Bowman, R.C.

1986-01-01

This book presents information on the following topoics: elements of the theory of amorphous semiconductors; electronic structure of alpha-SiH; fluctuation induced gap states in amorphous hydrogenated silicon; hydrogen on semiconductor surfaces; the influence of hydrogen on the defects and instabilities in hydrogenated amorphous silicon; deuteron magnetic resonance in some amorphous semiconductors; formation of amorphous metals by solid state reactions of hydrogen with an intermetallic compound; NMR studies of the hydrides of disordered and amorphous alloys; neutron vibrational spectroscopy of disordered metal-hydrogen system; dynamical disorder of hydrogen in LaNi /SUB 5-y/ M /SUB y/ hydrides studied by quasi-elastic neutron scattering; recent studies of intermetallic hydrides; tritium in Pd and Pd /SUB 0.80/ Sg /SUB 0.20/ ; and determination of hydrogen concentration in thin films of absorbing materials

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

Science.gov (United States)

Zhang, Fabi; Li, Haiou; Cui, Yi-Tao; Li, Guo-Ling; Guo, Qixin

2018-04-01

The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

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

Science.gov (United States)

Barber, D. G.; Ehn, J. K.; Pućko, M.; Rysgaard, S.; Deming, J. W.; Bowman, J. S.; Papakyriakou, T.; Galley, R. J.; Søgaard, D. H.

2014-10-01

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 becomes available to a cold atmosphere and surface winds are low, allowing for supersaturation of the near-surface boundary layer. Ice grown in a pond cut in young ice at the mouth of Young Sound, NE Greenland, in March 2012, showed that expanding frost flower clusters began forming as soon as the ice 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 primarily originated from the surface brine skim. Ikaite crystals were observed to form within an hour in both frost flowers and the thin pond ice. Average ikaite concentrations were 1013 µmol kg-1 in frost flowers and 1061 µmol kg-1 in the surface slush layer. Chamber flux measurements confirmed an efflux 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 and confirmed the general pattern of primary oceanic origin versus negligible atmospheric deposition.

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

Physics of amorphous metals

CERN Document Server

Kovalenko, Nikolai P; Krey, Uwe

2008-01-01

The discovery of bulk metallic glasses has led to a large increase in the industrial importance of amorphous metals, and this is expected to continue. This book is the first to describe the theoretical physics of amorphous metals, including the important theoretical development of the last 20 years.The renowned authors stress the universal aspects in their description of the phonon or magnon low-energy excitations in the amorphous metals, e.g. concerning the remarkable consequences of the properties of these excitations for the thermodynamics at low and intermediate temperatures. Tunneling

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.

Amorphous surface layer versus transient amorphous precursor phase in bone - A case study investigated by solid-state NMR spectroscopy.

Science.gov (United States)

Von Euw, Stanislas; Ajili, Widad; Chan-Chang, Tsou-Hsi-Camille; Delices, Annette; Laurent, Guillaume; Babonneau, Florence; Nassif, Nadine; Azaïs, Thierry

2017-09-01

The presence of an amorphous surface layer that coats a crystalline core has been proposed for many biominerals, including bone mineral. In parallel, transient amorphous precursor phases have been proposed in various biomineralization processes, including bone biomineralization. Here we propose a methodology to investigate the origin of these amorphous environments taking the bone tissue as a key example. This study relies on the investigation of a bone tissue sample and its comparison with synthetic calcium phosphate samples, including a stoichiometric apatite, an amorphous calcium phosphate sample, and two different biomimetic apatites. To reveal if the amorphous environments in bone originate from an amorphous surface layer or a transient amorphous precursor phase, a combined solid-state nuclear magnetic resonance (NMR) experiment has been used. The latter consists of a double cross polarization 1 H→ 31 P→ 1 H pulse sequence followed by a 1 H magnetization exchange pulse sequence. The presence of an amorphous surface layer has been investigated through the study of the biomimetic apatites; while the presence of a transient amorphous precursor phase in the form of amorphous calcium phosphate particles has been mimicked with the help of a physical mixture of stoichiometric apatite and amorphous calcium phosphate. The NMR results show that the amorphous and the crystalline environments detected in our bone tissue sample belong to the same particle. The presence of an amorphous surface layer that coats the apatitic core of bone apatite particles has been unambiguously confirmed, and it is certain that this amorphous surface layer has strong implication on bone tissue biogenesis and regeneration. Questions still persist on the structural organization of bone and biomimetic apatites. The existing model proposes a core/shell structure, with an amorphous surface layer coating a crystalline bulk. The accuracy of this model is still debated because amorphous calcium

Amorphous nanoparticles — Experiments and computer simulations

International Nuclear Information System (INIS)

Hoang, Vo Van; Ganguli, Dibyendu

2012-01-01

The data obtained by both experiments and computer simulations concerning the amorphous nanoparticles for decades including methods of synthesis, characterization, structural properties, atomic mechanism of a glass formation in nanoparticles, crystallization of the amorphous nanoparticles, physico-chemical properties (i.e. catalytic, optical, thermodynamic, magnetic, bioactivity and other properties) and various applications in science and technology have been reviewed. Amorphous nanoparticles coated with different surfactants are also reviewed as an extension in this direction. Much attention is paid to the pressure-induced polyamorphism of the amorphous nanoparticles or amorphization of the nanocrystalline counterparts. We also introduce here nanocomposites and nanofluids containing amorphous nanoparticles. Overall, amorphous nanoparticles exhibit a disordered structure different from that of corresponding bulks or from that of the nanocrystalline counterparts. Therefore, amorphous nanoparticles can have unique physico-chemical properties differed from those of the crystalline counterparts leading to their potential applications in science and technology.

Research Progress on Fe-based Amorphous Coatings

Directory of Open Access Journals (Sweden)

LIANG Xiu-bing

2017-09-01

Full Text Available The latest research progresses on Fe-based amorphous coatings were reviewed. The typical alloy system and the classification of Fe-based amorphous coatings were clarified. The status, progress and development of the Fe-based amorphous coatings prepared by thermal spray processing and laser cladding process were discussed. The main mechanical properties and potential applications of the Fe-based amorphous coatings were also described. Furthermore, based on the main problems mentioned above, the future development of the Fe-based amorphous coatings was discussed, including the exploitation preparation technologies of high amorphous content of the Fe-based coatings, the development of the low cost and high performance Fe-based coating alloys system, the broadening application of Fe-based amorphous coatings, and so on.

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...... before single molecules are available for the formation of crystal nuclei, thus stabilizing the amorphous form....

Late-Holocene climate evolution at the WAIS Divide site, West Antarctica: Bubble number-density estimates

Science.gov (United States)

Fegyveresi, John M.; Alley, R.B.; Spencer, M.K.; Fitzpatrick, J.J.; Steig, E.J.; White, J.W.C.; McConnell, J.R.; Taylor, K.C.

2011-01-01

A surface cooling of ???1.7??C occurred over the ???two millennia prior to ???1700 CE at the West Antarctic ice sheet (WAIS) Divide site, based on trends in observed bubble number-density of samples from the WDC06A ice core, and on an independently constructed accumulation-rate history using annual-layer dating corrected for density variations and thinning from ice flow. 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. Numberdensity is conserved in bubbly ice following pore close-off, allowing reconstruction of either paleotemperature or paleo-accumulation rate if the other is known. A quantitative late-Holocene paleoclimate reconstruction is presented for West Antarctica using data obtained from the WAIS Divide WDC06A ice core and a steady-state bubble number-density model. The resultant temperature history agrees closely with independent reconstructions based on stable-isotopic ratios of ice. The ???1.7??C cooling trend observed is consistent with a decrease in Antarctic summer duration from changing orbital obliquity, although it remains possible that elevation change at the site contributed part of the signal. Accumulation rate and temperature dropped together, broadly consistent with control by saturation vapor pressure.

Ab initio molecular dynamics simulation of the liquid and amorphous structure of Mg65Cu25Gd10 alloy

International Nuclear Information System (INIS)

Gao, R.; Zhao, Y.F.; Liu, X.J.; Liu, Z.K.; Hui, X.

2013-01-01

The liquid and amorphous structures of Mg 65 Cu 25 Gd 10 alloy were studied by using molecular dynamics methods within the frame of density functional theory. The generalized and partial pair correlation functions, structure factors, coordination numbers and bond pairs for this alloy were analyzed. It is shown that this alloy exhibit typical characterization of liquid structure at the temperature higher than 750 K, and of amorphous structure with shoulders on the second diffuse peaks of the pair correlation functions curves at room temperature. The local short and medium range ordering tends to be increased with the decrease of temperature. Both the liquid and the amorphous structures are mainly composed of icosahedral type of bond pairs. Perfect and distorted icosahedra can be differentiated from the atomic configuration of the amorphous alloy

The Effect of Spatial Heterogeneities on Nucleation Kinetics in Amorphous Aluminum Alloys

Science.gov (United States)

Shen, Ye

The mechanical property of the Al based metallic glass could be enhanced significantly by introducing the high number density of Al-fcc nanocrystals (1021 ˜1023 m-3) to the amorphous matrix through annealing treatments, which motivates the study of the nucleation kinetics for the microstructure control. With the presence of a high number density (1025 m-3) of aluminum-like medium range order (MRO), the Al-Y-Fe metallic glass is considered to be spatially heterogeneous. Combining the classical nucleation theory with the structural configuration, a MRO seeded nucleation model has been proposed and yields theoretical steady state nucleation rates consistent with the experimental results. In addition, this model satisfies all the thermodynamic and kinetic constraints to be reasonable. Compared with the Al-Y-Fe system, the primary crystallization onset temperature decreases significantly and the transient delay time (tau) is shorter in the Al-Y-Fe-Pb(In) systems because the insoluble Pb and In nanoparticles in the amorphous matrix served as extrinsic spatial heterogeneity to provide the nucleation sites for Al-fcc precipitation and the high-resolution transmission electron microscopy (HRTEM) images of the Pb-Al interface revealed a good wetting behavior between the Al and Pb nanoparticles. The study of the transient delay time (tau) could provide insight on the transport behavior during the nucleation and a more convenient approach to evaluate the delay time has been developed by measuring the Al-Y-Fe amorphous alloy glass transition temperature (Tg) shift with the increasing annealing time (tannealing) in FlashDSC. The break point in the Tg vs. log(tannealing) plot has been identified to correspond to the delay time by the TEM characterization. FlashDSC tests with different heating rates and different compositions (Al-Y-Fe-Pb and Zn-Mg-Ca-Yb amorphous alloys) further confirmed the break point and delay time relationship. The amorphous matrix composition and the

Heat transport in McMurdo Sound first-year fast ice

Science.gov (United States)

Trodahl, H. J.; McGuinness, M. J.; Langhorne, P. J.; Collins, K.; Pantoja, A. E.; Smith, I. J.; Haskell, T. G.

2000-05-01

We have monitored the temperature field within first-year sea ice in McMurdo Sound over two winter seasons, with sufficient resolution to determine the thermal conductivity from the thermal waves propagating down through the ice. Data reduction has been accomplished by direct reference to energy conservation, relating the rate of change of the internal energy density to the divergence of the heat current density. Use of this procedure, rather than the wave attenuation predicted by the thermal diffusion equation, avoids difficulties arising from a strongly temperature dependent thermal diffusivity. The thermal conductivity is an input parameter for ice growth and climate models, and the values commonly used in the models are predicted to depend on temperature, salinity, and the volume fraction of air. The present measurements were performed at depths in the ice where the air volume is small and the salinity is nearly constant, and they permit the determination of the absolute magnitude of the thermal conductivity and its temperature dependence. The weak temperature dependence is similar to that predicted by the models in the literature, but the magnitude is smaller by ˜10% than the predicted value most commonly used in climate and sea ice models. In the first season we find an additional scatter in the results at driving temperature gradients larger than ˜10-15 °C/m. We suggest that the scatter arises from a nonlinear contribution to the heat current, possibly associated with the onset of convective motion in brine inclusions. Episodic convective events are also observed. We have further determined the growth rate of the ice and compared it with the rate explained by the heat flux from the ice-water interface. The data show a sudden rise of growth rate, without a rise in heat flux through the ice, which coincides in time and depth with the appearance of platelet ice. Finally, we discuss the observation of radiative solar heating at depth in the ice and

The Effect of Volcanic Ash Composition on Ice Nucleation Affinity

Science.gov (United States)

Genareau, K. D.; Cloer, S.; Primm, K.; Woods, T.; Tolbert, M. A.

2017-12-01

Understanding the role that volcanic ash plays in ice nucleation is important for knowledge of lightning generation in both volcanic plumes and in clouds developing downwind from active volcanoes. Volcanic ash has long been suggested to influence heterogeneous ice nucleation following explosive eruptions, but determining precisely how composition and mineralogy affects ice nucleation affinity (INA) is poorly constrained. For the study presented here, volcanic ash samples with different compositions and mineral/glass contents were tested in both the deposition and immersion modes, following the methods presented in Schill et al. (2015). Bulk composition was determined with X-ray fluorescence (XRF), grain size distribution was determined with laser diffraction particle size analysis (LDPSA), and mineralogy was determined with X-ray diffraction (XRD) and scanning electron microscopy (SEM). Results of the deposition-mode experiments reveal that there is no relationship between ice saturation ratios (Sice) and either mineralogy or bulk ash composition, as all samples have similar Sice ratios. In the immersion-mode experiments, frozen fractions were determined from -20 °C to -50 °C using three different amounts of ash (0.5, 1.0, and 2.0 wt% of slurry). Results from the immersion freezing reveal that the rhyolitic samples (73 wt% SiO2) nucleate ice at higher temperatures compared to the basaltic samples (49 wt% SiO2). There is no observed correlation between frozen fractions and mineral content of ash samples, but the two most efficient ice nuclei are rhyolites that contain the greatest proportion of amorphous glass (> 90 %), and are enriched in K2O relative to transition metals (MnO and TiO2), the latter of which show a negative correlation with frozen fraction. Higher ash abundance in water droplets increases the frozen fraction at all temperatures, indicating that ash amount plays the biggest role in ice nucleation. If volcanic ash can reach sufficient abundance (�

Amorphous iron (II) carbonate

DEFF Research Database (Denmark)

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

2012-01-01

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...

Amorphization of ceramics by ion beams

International Nuclear Information System (INIS)

McHargue, C.J.; Farlow, G.C.; White, C.W.; Williams, J.M.; Appleton, B.R.; Naramoto, H.

1984-01-01

The influence of the implantation parameters fluence, substrate temperature, and chemical species on the formation of amorphous phases in Al 2 O 3 and α-SiC was studied. At 300 0 K, fluences in excess of 10 17 ions.cm -2 were generally required to amorphize Al 2 O 3 ; however, implantation of zirconium formed the amorphous phase at a fluence of 4 x 10 16 Zr.cm -2 . At 77 0 K, the threshold fluence was lowered to about 2 x 10 15 Cr.cm -2 . Single crystals of α-SiC were amorphized at 300 0 K by a fluence of 2 x 10 14 Cr.cm -2 or 1 x 10 15 N.cm -2 . Implantation at 1023 0 K did not produce the amorphous phase in SiC. The micro-indentation hardness of the amorphous material was about 60% of that of the crystalline counterpart

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...

Ice formation in PEM fuel cells operated isothermally at sub-freezing temperatures

Energy Technology Data Exchange (ETDEWEB)

Mukundan, Rangachary [Los Alamos National Laboratory; Luhan, Roger W [Los Alamos National Laboratory; Davey, John R [Los Alamos National Laboratory; Spendelow, Jacob S [Los Alamos National Laboratory; Borup, Rodney L [Los Alamos National Laboratory; Hussey, Daniel S [NIST; Jacobson, David L [NIST; Arif, Muhammad [NIST

2009-01-01

The effect of MEA and GDL structure and composition on the performance of single-PEM fuel cells operated isothermally at subfreezing temperatures is presented. The cell performance and durability are not only dependent on the MEA/GDL materials used but also on their interfaces. When a cell is operated isothermally at sub-freezing temperatures in constant current mode, the water formation due to the current density initially hydrates the membrane/ionomer and then forms ice in the catalyst layer/GDL. An increase in high frequency resistance was also observed in certain MEAs where there is a possibility of ice formation between the catalyst layer and GDL leading to a loss in contact area. The total water/ice holding capacity for any MEA was lower at lower temperatures and higher current densities. The durability of MEAs subjected to multiple isothermal starts was better for LANL prepared MEAs as compared to commercial MEAs, and cloth GDLs when compared to paper GDLs. The ice formation was monitored using high-resolution neutron radiography and was found to be concentrated near the cathode catalyst layer. However, there was significant ice formation in the GDLs especially at the higher temperature ({approx} -10 C) and lower current density (0.02 A/cm{sup 2}) operations. These results are consistent with the longer-term durability observations that show more severe degradation at the lower temperatures.

Pressure-volume-temperature and excess molar volume prediction of amorphous and crystallizable polymer blends by equation of state

Institute of Scientific and Technical Information of China (English)

Fakhri Yousefi; Hajir Karimi; Maryam Gomar

2015-01-01

In this work the statistical mechanical equation of state was developed for volumetric properties of crystal ine and amorphous polymer blends. The Ihm–Song–Mason equations of state (ISMEOS) based on temperature and density at melting point (Tm andρm) as scaling constants were developed for crystalline polymers such as poly(propylene glycol)+poly(ethylene glycol)-200 (PPG+PEG-200), poly(ethylene glycol) methyl ether-300 (PEGME-350)+PEG-200 and PEGME-350+PEG-600. Furthermore, for amorphous polymer blends con-taining poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)+polystyrene (PS) and PS+poly(vinylmethylether) (PVME), the density and surface tension at glass transition (ρg andγg) were used for estimation of second Virial coefficient. The calculation of second Virial coefficients (B2), effective van der Waals co-volume (b) and correction factor (α) was required for judgment about applicability of this model. The obtained results by ISMEOS for crys-talline and amorphous polymer blends were in good agreement with the experimental data with absolute aver-age deviations of 0.84%and 1.04%, respectively.

The self-activation and synergy of amorphous Re nanoparticle – Si nanowire composites for the electrocatalytic hydrogen evolution

International Nuclear Information System (INIS)

Yang, Lulu; Lu, Shunkai; Wang, Hui; Shao, Qi; Liao, Fan; Shao, Mingwang

2017-01-01

Highlights: • Amorphous Re nanoparticle modified Si nanowire nanocomposites were prepared. • An interesting self-activation phenomenon was observed in HER process. • Re/SiNW showed synergy in HER process. • The optimal mass ratio of Re: Si was determined to be 31.1: 68.9. - Abstract: Amorphous rhenium nanoparticles modified silicon nanowires were prepared via reducing Re ion by Si−H bonds, which were employed to electrocatalysize the hydrogen evolution reaction because amorphous structure may have excellent catalytic activity. It is interesting that an obvious self-activation for Re/Si catalysts was observed with the current density enhanced by 2.2 times its previous value at 400 mV after a 3,000 s of continuous cyclic voltammetry scanning, and the catalytic performance remained steady thereafter. The optimal electrocatalytic performance was found with the Re: Si mass ratio of 31.1: 68.9, resulting in a Tafel slope of 81 mV·dec −1 and overpotential of 100 mV at current density of 10 mA·cm −2 .

Effects of oil and chemically treated oil on nearshore under-ice meiofauna studied in-situ

Energy Technology Data Exchange (ETDEWEB)

Cross, W.E.; Martin, C.M.

1987-01-01

Meiofauna were collected during May 1982 in the soft bottom layer of nearshore landfast ice at Cape Hatt, northern Baffin Island. Average abundance of all ice meiofauna was 54,000 individualsm/sup -2/. Densities of all meiofauna groups were spatially variable, but only nematodes and cyclopoid copepods showed evidence of progressive temporal change between 18 May and 2 June. Undisturbed, enclosed areas of the under-ice surface were treated with oil on 23-24 May. Dispersed oil was in contact with the ice for 5 hours, whereas untreated oil and solidified oil remained in the enclosures for the duration of the study (12 days post-treatment). Sampling was carried out in areas where oil contacted the ice and moved away or in areas near oil that remained in contact with the under-ice surface. Five hours after treatment, oil concentrations in the water within the enclosures were similar (0.15-0.28 ppm) in untreated oil, solidified oil and control enclosures. In contrast, dispersed oil concentrations were 5.8-36.5 ppm. Densities of all copepods and polychaetes decreased dramatically in each dispersed oil enclosure by the second post-spill day, and slight density increases were evident by the tenth post-spill day. Harpacticoid copepods apparently were more sensitive to dispersed oil than were cyclopoid copepods. Densities of nematodes and cyclopoid copepod nauplii were not affected by dispersed oil. Densities of nematodes, polychaetes and all copepods were not affected by untreated or solidified oil, but there was some evidence of a stimulatory effect of those treatments on some copepod groups and life stages. 24 refs., 2 figs., 4 tabs.

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.|info:eu-repo/dai/nl/304831905; van de Wal, R.S.W.|info:eu-repo/dai/nl/101899556; 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

Crystalline to amorphous transformation in silicon

International Nuclear Information System (INIS)

Cheruvu, S.M.

1982-09-01

In the present investigation, an attempt was made to understand the fundamental mechanism of crystalline-to-amorphous transformation in arsenic implanted silicon using high resolution electron microscopy. A comparison of the gradual disappearance of simulated lattice fringes with increasing Frenkel pair concentration with the experimental observation of sharp interfaces between crystalline and amorphous regions was carried out leading to the conclusion that when the defect concentration reaches a critical value, the crystal does relax to an amorphous state. Optical diffraction experiments using atomic models also supported this hypothesis. Both crystalline and amorphous zones were found to co-exist with sharp interfaces at the atomic level. Growth of the amorphous fraction depends on the temperature, dose rate and the mass of the implanted ion. Preliminary results of high energy electron irradiation experiments at 1.2 MeV also suggested that clustering of point defects occurs near room temperature. An observation in a high resolution image of a small amorphous zone centered at the core of a dislocation is presented as evidence that the nucleation of an amorphous phase is heterogeneous in nature involving clustering or segregation of point defects near existing defects

Circulation and Respiration in Ice-covered Alaskan Arctic Lakes

Science.gov (United States)

MacIntyre, S.; Cortés, A.

2016-12-01

Arctic lakes are ice-covered 9 months of the year. For some of this time, the sediments heat the overlying water, and respiration in the sediments increases specific conductivity, depletes oxygen, and produces greenhouse gases (GHG). Whether anoxia forms and whether the greenhouse gases are sequestered at depth depends on processes inducing circulation and upward fluxes. Similarly, whether the GHG are released at ice off depends on the extent of vertical mixing at that time. Using time series meteorological data and biogeochemical arrays with temperature, specific conductivity, and optical oxygen sensors in 5 lakes ranging from 1 to 150 ha, we illustrate the connections between meteorological forcing and within lake processes including gravity currents resulting from increased density just above the sediment water interface and internal waves including those induced by winds acting on the surface of the ice and at ice off. CO2 production was well predicted by the initial rate of oxygen drawdown near the bottom at ice on and that the upward density flux depended on lake size, with values initially high in all lakes but near molecular in lakes of a few hectares in size by mid-winter. Both CO2 production and within lake vertical fluxes were independent of the rate of cooling in fall and subsequent within lake temperatures under the ice. Anoxia formed near the sediments in all 5 lakes with the concentration of CH4 dependent, in part, on lake size and depth. Twenty to fifty percent of the greenhouse gases produced under the ice remained in the lakes by the time thermal stratification was established in summer despite considerable internal wave induced mixing at the time of ice off. These observations and analysis lay a framework for understanding the links between within lake hydrodynamics, within year variability, and the fraction of greenhouse gases produced over the winter which evade at ice off.

FDTD simulation of amorphous silicon waveguides for microphotonics applications

Science.gov (United States)

Fantoni, A.; Lourenço, P.; Pinho, P.; Vieira, M.,

2017-05-01

In this work we correlate the dimension of the waveguide with small variations of the refractive index of the material used for the waveguide core. We calculate the effective modal refractive index for different dimensions of the waveguide and with slightly variation of the refractive index of the core material. These results are used as an input for a set of Finite Difference Time Domain simulation, directed to study the characteristics of amorphous silicon waveguides embedded in a SiO2 cladding. The study considers simple linear waveguides with rectangular section for studying the modal attenuation expected at different wavelengths. Transmission efficiency is determined analyzing the decay of the light power along the waveguides. As far as near infrared wavelengths are considered, a-Si:H shows a behavior highly dependent on the light wavelength and its extinction coefficient rapidly increases as operating frequency goes into visible spectrum range. The simulation results show that amorphous silicon can be considered a good candidate for waveguide material core whenever the waveguide length is as short as a few centimeters. The maximum transmission length is highly affected by the a-Si:H defect density, the mid-gap density of states and by the waveguide section area. The simulation results address a minimum requirement of 300nm×400nm waveguide section in order to keep attenuation below 1 dB cm-1.

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.

PECVD deposition of device-quality intrinsic amorphous silicon at high growth rate

Energy Technology Data Exchange (ETDEWEB)

Carabe, J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Gandia, J J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Gutierrez, M T [Inst. de Energias Renovables, CIEMAT, Madrid (Spain)

1993-11-01

The combined influence of RF-power density (RFP) and silane flow-rate ([Phi]) on the deposition rate of plasma-enhanced chemical vapour deposition (PECVD) intrinsic amorphous silicon has been investigated. The correlation of the results obtained from the characterisation of the material with the silane deposition efficiency, as deduced from mass spectrometry, has led to an interpretation allowing to deposit intrinsic amorphous-silicon films having an optical gap of 1.87 eV and a photoconductive ratio (ratio of ambient-temperature conductivities under 1 sun AM1 and in dark) of 6 orders of magnitude at growth rates up to 10 A/s, without any structural modification of the PECVD system used. Such results are considered of high relevance regarding industrial competitiveness. (orig.)

Amorphous tantala and its relationship with the molten state

Science.gov (United States)

Alderman, O. L. G.; Benmore, C. J.; Neuefeind, J.; Coillet, E.; Mermet, A.; Martinez, V.; Tamalonis, A.; Weber, R.

2018-04-01

The structure factors of molten T a2O5 and N b2O5 have been measured by high-energy x-ray and pulsed neutron diffraction. These are compared to transmission-mode x-ray diffraction through a self-supported 15-μm ion-beam sputtered amorphous tantala film. Atomistic models derived from the diffraction data by means of empirical potential structure refinement reveal that tantala and niobia liquids are very close to isomorphous, as confirmed by measurement of a molten mixture, T a0.8N b1.2O5 . Nonetheless, peak Nb-O bond lengths are about 1 % shorter than those for Ta-O, at temperatures, T*=T /Tmelt , scaled to the melting points. Mean coordination numbers are nM O≃5.6 (1 ) ,nO M≃2.23 (4 ) in the liquid state, and nTaO≃6.6 (2 ) ,nOTa≃2.63 (8 ) in the solid. The liquids are built from five- and six-fold M -O polyhedra which connect principally by corner sharing, with a minority of edge sharing; a-T a2O5 on the other hand has a local structure more akin to the crystalline polymorphs, built primarily from six- and seven-fold polyhedra, with a larger degree of edge sharing. The structural differences between liquid and amorphous T a2O5 , coupled with observations of increasing peak bond lengths upon cooling, are consistent with the interpretation that the amorphous film reaches a supercooled liquidlike metastable equilibrium during deposition. In other words, the amorphous film shares a common progenitor state with a hypothetical glass quenched from a fragile melt. In addition, we show that recent classical interatomic potentials do not fully reproduce the diffraction data, and infer that inclusion of attractive (non-Coulombic) Ta-Ta interactions is important, particularly for obtaining the correct degree of edge sharing, coordination numbers, and densities. Nanoscale inhomogeneity of the amorphous film is confirmed by the observation of small-angle x-ray scattering.

Interplay of the Glass Transition and the Liquid-Liquid Phase Transition in Water

Science.gov (United States)

Giovambattista, Nicolas; Loerting, Thomas; Lukanov, Boris R.; Starr, Francis W.

2012-01-01

Water has multiple glassy states, often called amorphous ices. Low-density (LDA) and high-density (HDA) amorphous ice are separated by a dramatic, first-order like phase transition. It has been argued that the LDA-HDA transformation connects to a first-order liquid-liquid phase transition (LLPT) above the glass transition temperature Tg. Direct experimental evidence of the LLPT is challenging to obtain, since the LLPT occurs at conditions where water rapidly crystallizes. In this work, we explore the implications of a LLPT on the pressure dependence of Tg(P) for LDA and HDA by performing computer simulations of two water models – one with a LLPT, and one without. In the absence of a LLPT, Tg(P) for all glasses nearly coincide. When there is a LLPT, different glasses exhibit dramatically different Tg(P) which are directly linked with the LLPT. Available experimental data for Tg(P) are only consistent with the scenario including a LLPT. PMID:22550566

Swift heavy ion-beam induced amorphization and recrystallization of yttrium iron garnet

International Nuclear Information System (INIS)

Costantini, Jean-Marc; Miro, Sandrine; Beuneu, François; Toulemonde, Marcel

2015-01-01

Pure and (Ca and Si)-substituted yttrium iron garnet (Y 3 Fe 5 O 12 or YIG) epitaxial layers and amorphous films on gadolinium gallium garnet (Gd 3 Ga 5 O 12 , or GGG) single crystal substrates were irradiated by 50 MeV 32 Si and 50 MeV (or 60 MeV) 63 Cu ions for electronic stopping powers larger than the threshold value (∼4 MeV μm −1 ) for amorphous track formation in YIG crystals. Conductivity data of crystalline samples in a broad ion fluence range (10 11 –10 16 cm −2 ) are modeled with a set of rate equations corresponding to the amorphization and recrystallization induced in ion tracks by electronic excitations. The data for amorphous layers confirm that a recrystallization process takes place above ∼10 14 cm −2 . Cross sections for both processes deduced from this analysis are discussed in comparison to previous determinations with reference to the inelastic thermal-spike model of track formation. Micro-Raman spectroscopy was also used to follow the related structural modifications. Raman spectra show the progressive vanishing and randomization of crystal phonon modes in relation to the ion-induced damage. For crystalline samples irradiated at high fluences (⩾10 14 cm −2 ), only two prominent broad bands remain like for amorphous films, thereby reflecting the phonon density of states of the disordered solid, regardless of samples and irradiation conditions. The main band peaked at ∼660 cm −1 is assigned to vibration modes of randomized bonds in tetrahedral (FeO 4 ) units. (paper)

Influence of disorder on localization and density of states in amorphous carbon nitride thin films systems rich in π-bonded carbon atoms

International Nuclear Information System (INIS)

Alibart, F.; Lejeune, M.; Durand Drouhin, O.; Zellama, K.; Benlahsen, M.

2010-01-01

We discuss in this paper the evolution of both the density of states (DOS) located between the band-tail states and the DOS around the Fermi level N(E F ) in amorphous carbon nitride films (a-CN x ) as a function of the total nitrogen partial pressure ratio in the Ar/N 2 plasma mixture. The films were deposited by three different deposition techniques and their microstructure was characterized using a combination of infrared and Raman spectroscopy and optical transmission experiments, completed with electrical conductivity measurements, as a function of temperature. The observed changes in the optoelectronic properties are attributed to the modification in the atomic bonding structures, which were induced by N incorporation, accompanied by an increase in the sp 2 carbon bonding configurations and their relative disorder. The electrical conductivity variation was interpreted in terms of local effects on the nature and energy distribution of π and π* states.

Amorphous silicon based particle detectors

OpenAIRE

Wyrsch, N.; Franco, A.; Riesen, Y.; Despeisse, M.; Dunand, S.; Powolny, F.; Jarron, P.; Ballif, C.

2012-01-01

Radiation hard monolithic particle sensors can be fabricated by a vertical integration of amorphous silicon particle sensors on top of CMOS readout chip. Two types of such particle sensors are presented here using either thick diodes or microchannel plates. The first type based on amorphous silicon diodes exhibits high spatial resolution due to the short lateral carrier collection. Combination of an amorphous silicon thick diode with microstrip detector geometries permits to achieve micromete...

Traveling cluster approximation for uncorrelated amorphous systems

International Nuclear Information System (INIS)

Kaplan, T.; Sen, A.K.; Gray, L.J.; Mills, R.

1985-01-01

In this paper, the authors apply the TCA concepts to spatially disordered, uncorrelated systems (e.g., fluids or amorphous metals without short-range order). This is the first approximation scheme for amorphous systems that takes cluster effects into account while preserving the Herglotz property for any amount of disorder. They have performed some computer calculations for the pair TCA, for the model case of delta-function potentials on a one-dimensional random chain. These results are compared with exact calculations (which, in principle, taken into account all cluster effects) and with the CPA, which is the single-site TCA. The density of states for the pair TCA clearly shows some improvement over the CPA, and yet, apparently, the pair approximation distorts some of the features of the exact results. They conclude that the effects of large clusters are much more important in an uncorrelated liquid metal than in a substitutional alloy. As a result, the pair TCA, which does quite a nice job for alloys, is not adequate for the liquid. Larger clusters must be treated exactly, and therefore an n-TCA with n > 2 must be used

Rapid changes in ice core gas records - Part 1: On the accuracy of methane synchronisation of ice cores

Science.gov (United States)

Köhler, P.

2010-08-01

Methane synchronisation is a concept to align ice core records during rapid climate changes of the Dansgaard/Oeschger (D/O) events onto a common age scale. However, atmospheric gases are recorded in ice cores with a log-normal-shaped age distribution probability density function, whose exact shape depends mainly on the accumulation rate on the drilling site. This age distribution effectively shifts the mid-transition points of rapid changes in CH4 measured in situ in ice by about 58% of the width of the age distribution with respect to the atmospheric signal. A minimum dating uncertainty, or artefact, in the CH4 synchronisation is therefore embedded in the concept itself, which was not accounted for in previous error estimates. This synchronisation artefact between Greenland and Antarctic ice cores is for GRIP and Byrd less than 40 years, well within the dating uncertainty of CH4, and therefore does not calls the overall concept of the bipolar seesaw into question. However, if the EPICA Dome C ice core is aligned via CH4 to NGRIP this synchronisation artefact is in the most recent unified ice core age scale (Lemieux-Dudon et al., 2010) for LGM climate conditions of the order of three centuries and might need consideration in future gas chronologies.

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

Directory of Open Access Journals (Sweden)

Fabi Zhang

2018-04-01

Full Text Available The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

Modeling chemical and topological disorder in irradiation-amorphized silicon carbide

International Nuclear Information System (INIS)

Yuan Xianglong; Hobbs, Linn W.

2002-01-01

In order to explore the relationship of chemical disorder to topological disorder during irradiation-induced amorphization of silicon carbide, a topological analysis of homonuclear bond distribution, atom coordination number and network ring size distribution has been carried out for imposed simulated disorder, equilibrated with molecular dynamics (MD) procedures utilizing a Tersoff potential. Starting configurations included random atom positions, β-SiC coordinates chemically disordered over a range of chemical disorder parameters and atom coordinates generated from earlier MD simulations of embedded collision cascades. For random starting positions in embedded simulations, the MD refinement converged to an average Si coordination of 4.3 and an average of 1.4 Si-Si and 1.0 C-C bonds per Si and C site respectively. A chemical disorder threshold was observed (χ≡N C-C /N Si-C >0.3-0.4), below which range MD equilibration resulted in crystalline behavior at all temperatures and above which a glass transition was observed. It was thus concluded that amorphization is driven by a critical concentration of homonuclear bonds. About 80% of the density change at amorphization was attributable to threshold chemical disorder, while significant topological changes occurred only for larger values of the chemical disorder parameter

Detecting high spatial variability of ice shelf basal mass balance, Roi Baudouin Ice Shelf, Antarctica

Directory of Open Access Journals (Sweden)

S. Berger

2017-11-01

Full Text Available Ice shelves control the dynamic mass loss of ice sheets through buttressing and their integrity depends on the spatial variability of their basal mass balance (BMB, i.e. the difference between refreezing and melting. Here, we present an improved technique – based on satellite observations – to capture the small-scale variability in the BMB of ice shelves. As a case study, we apply the methodology to the Roi Baudouin Ice Shelf, Dronning Maud Land, East Antarctica, and derive its yearly averaged BMB at 10 m horizontal gridding. We use mass conservation in a Lagrangian framework based on high-resolution surface velocities, atmospheric-model surface mass balance and hydrostatic ice-thickness fields (derived from TanDEM-X surface elevation. Spatial derivatives are implemented using the total-variation differentiation, which preserves abrupt changes in flow velocities and their spatial gradients. Such changes may reflect a dynamic response to localized basal melting and should be included in the mass budget. Our BMB field exhibits much spatial detail and ranges from −14.7 to 8.6 m a−1 ice equivalent. Highest melt rates are found close to the grounding line where the pressure melting point is high, and the ice shelf slope is steep. The BMB field agrees well with on-site measurements from phase-sensitive radar, although independent radar profiling indicates unresolved spatial variations in firn density. We show that an elliptical surface depression (10 m deep and with an extent of 0.7 km × 1.3 km lowers by 0.5 to 1.4 m a−1, which we tentatively attribute to a transient adaptation to hydrostatic equilibrium. We find evidence for elevated melting beneath ice shelf channels (with melting being concentrated on the channel's flanks. However, farther downstream from the grounding line, the majority of ice shelf channels advect passively (i.e. no melting nor refreezing toward the ice shelf front. Although the absolute, satellite

A zero density change phase change memory material: GeTe-O structural characteristics upon crystallisation.

Science.gov (United States)

Zhou, Xilin; Dong, Weiling; Zhang, Hao; Simpson, Robert E

2015-06-11

Oxygen-doped germanium telluride phase change materials are proposed for high temperature applications. Up to 8 at.% oxygen is readily incorporated into GeTe, causing an increased crystallisation temperature and activation energy. The rhombohedral structure of the GeTe crystal is preserved in the oxygen doped films. For higher oxygen concentrations the material is found to phase separate into GeO2 and TeO2, which inhibits the technologically useful abrupt change in properties. Increasing the oxygen content in GeTe-O reduces the difference in film thickness and mass density between the amorphous and crystalline states. For oxygen concentrations between 5 and 6 at.%, the amorphous material and the crystalline material have the same density. Above 6 at.% O doping, crystallisation exhibits an anomalous density change, where the volume of the crystalline state is larger than that of the amorphous. The high thermal stability and zero-density change characteristic of Oxygen-incorporated GeTe, is recommended for efficient and low stress phase change memory devices that may operate at elevated temperatures.

Applications in the Nuclear Industry for Thermal Spray Amorphous Metal and Ceramic Coatings

Science.gov (United States)

Blink, J.; Farmer, J.; Choi, J.; Saw, C.

2009-06-01

Amorphous metal and ceramic thermal spray coatings have been developed with excellent corrosion resistance and neutron absorption. These coatings, with further development, could be cost-effective options to enhance the corrosion resistance of drip shields and waste packages, and limit nuclear criticality in canisters for the transportation, aging, and disposal of spent nuclear fuel. Iron-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 waste package and drip shield applications, although 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, nonporous coatings with the high-velocity oxy-fuel process. This article summarizes the performance of these coatings as corrosion-resistant barriers and as neutron absorbers. This article also presents a simple cost model to quantify the economic benefits possible with these new materials.

Enhanced Cycleability of Amorphous MnO₂ by Covering on α-MnO₂ Needles in an Electrochemical Capacitor.

Science.gov (United States)

Liu, Quanbing; Ji, Shan; Yang, Juan; Wang, Hui; Pollet, Bruno G; Wang, Rongfang

2017-08-24

An allomorph MnO₂@MnO₂ core-shell nanostructure was developed via a two-step aqueous reaction method. The data analysis of Scanning Electron Microscopy, Transmission Electron Microscopy, X-Ray Diffraction and N₂ adsorption-desorption isotherms experiments indicated that this unique architecture consisted of a porous layer of amorphous-MnO₂ nano-sheets which were well grown onto the surface of α-MnO₂ nano-needles. Cyclic voltammetry experiments revealed that the double-layer charging and Faradaic pseudo -capacity of the MnO₂@MnO₂ capacitor electrode contributed to a specific capacitance of 150.3 F·g -1 at a current density of 0.1 A·g -1 . Long cycle life experiments on the as-prepared MnO₂@MnO₂ sample showed nearly a 99.3% retention after 5000 cycles at a current density of 2 A·g -1 . This retention value was found to be significantly higher than those reported for amorphous MnO₂-based capacitor electrodes. It was also found that the remarkable cycleability of the MnO₂@MnO₂ was due to the supporting role of α-MnO₂ nano-needle core and the outer amorphous MnO₂ layer.

Origins of amorphous interstellar grains

International Nuclear Information System (INIS)

Hasegawa, H.

1984-01-01

The existence of amorphous interstellar grains has been suggested from infrared observations. Some carbon stars show the far infrared emission with a lambda -1 wavelength dependence. Far infrared emission supposed to be due to silicate grains often show the lambda -1 wavelength dependence. Mid infrared spectra around 10 μm have broad structure. These may be due to the amorphous silicate grains. The condition that the condensed grains from the cosmic gas are amorphous is discussed. (author)

Amorphous-polycrystal transition induced by laser pulse in self-ion implanted silicon

International Nuclear Information System (INIS)

Foti, G.; Rimini, E.; Vitali, G.; Bertolotti, M.

1977-01-01

Reflection high energy electron diffraction has been used to investigate the amorphous to polycrystalline structure transition in silicon induced by laser pulse. The power density of the ruby laser pulse, in the free generation mode, has been maintained below the threshold to induce surface damage. Depth analysis has been carried out in silicon crystal using the channeling effect technique. (orig.) [de

Recent advances in co-amorphous drug formulations

DEFF Research Database (Denmark)

Dengale, Swapnil Jayant; Grohganz, Holger; Rades, Thomas

2016-01-01

with other amorphous stabilization techniques. Because of this, several research groups started to investigate the co-amorphous formulation approach, resulting in an increasing amount of scientific publications over the last few years. This study provides an overview of the co-amorphous field and its recent......Co-amorphous drug delivery systems have recently gained considerable interest in the pharmaceutical field because of their potential to improve oral bioavailability of poorly water-soluble drugs through drug dissolution enhancement as a result of the amorphous nature of the material. A co...... findings. In particular, we investigate co-amorphous formulations from the viewpoint of solid dispersions, describe their formation and mechanism of stabilization, study their impact on dissolution and in vivo performance and briefly outline the future potentials....

Use of Vertically Integrated Ice in WRF-Based Forecasts of Lightning Threat

Science.gov (United States)

McCaul, E. W., jr.; Goodman, S. J.

2008-01-01

Previously reported methods of forecasting lightning threat using fields of graupel flux from WRF simulations are extended to include the simulated field of vertically integrated ice within storms. Although the ice integral shows less temporal variability than graupel flux, it provides more areal coverage, and can thus be used to create a lightning forecast that better matches the areal coverage of the lightning threat found in observations of flash extent density. A blended lightning forecast threat can be constructed that retains much of the desirable temporal sensitivity of the graupel flux method, while also incorporating the coverage benefits of the ice integral method. The graupel flux and ice integral fields contributing to the blended forecast are calibrated against observed lightning flash origin density data, based on Lightning Mapping Array observations from a series of case studies chosen to cover a wide range of flash rate conditions. Linear curve fits that pass through the origin are found to be statistically robust for the calibration procedures.

Sea ice - Multiyear cycles and white ice

Science.gov (United States)

Ledley, T. S.

1985-01-01

The multiyear thickness cycles represent one of the interesting features of the sea ice studies performed by Semtner (1976) and Washington et al. (1976) with simple thermodynamic models of sea ice. In the present article, a description is given of results which show that the insulating effect of snow on the surface of the sea ice is important in producing these multiyear cycles given the physics included in the model. However, when the formation of white ice is included, the cycles almost disappear. White ice is the ice which forms at the snow-ice interface when the snow layer becomes thick enough to depress the ice below the water level. Water infiltrates the snow by coming through the ice at leads and generally freezes there, forming white ice.

Open circuit voltage-decay behavior in amorphous p-i-n solar due to injection

Science.gov (United States)

Smrity, Manu; Dhariwal, S. R.

2018-05-01

The paper deals with the basic recombination processes at the dangling bond and the band tail states at various levels of injection, expressed in terms of short-circuit current density and their role in the behavior of amorphous solar cells. As the level of injection increases the fill factor decreases whereas the open circuit voltage increases very slowly, showing a saturation tendency. Calculations have been done for two values of tail state densities and shows that with an increase in tail state densities both, the fill factor and open circuit voltage decreases, results an overall degradation of the solar cell.

A theory-based parameterization for heterogeneous ice nucleation and implications for the simulation of ice processes in atmospheric models

Science.gov (United States)

Savre, J.; Ekman, A. M. L.

2015-05-01

A new parameterization for heterogeneous ice nucleation constrained by laboratory data and based on classical nucleation theory is introduced. Key features of the parameterization include the following: a consistent and modular modeling framework for treating condensation/immersion and deposition freezing, the possibility to consider various potential ice nucleating particle types (e.g., dust, black carbon, and bacteria), and the possibility to account for an aerosol size distribution. The ice nucleating ability of each aerosol type is described using a contact angle (θ) probability density function (PDF). A new modeling strategy is described to allow the θ PDF to evolve in time so that the most efficient ice nuclei (associated with the lowest θ values) are progressively removed as they nucleate ice. A computationally efficient quasi Monte Carlo method is used to integrate the computed ice nucleation rates over both size and contact angle distributions. The parameterization is employed in a parcel model, forced by an ensemble of Lagrangian trajectories extracted from a three-dimensional simulation of a springtime low-level Arctic mixed-phase cloud, in order to evaluate the accuracy and convergence of the method using different settings. The same model setup is then employed to examine the importance of various parameters for the simulated ice production. Modeling the time evolution of the θ PDF is found to be particularly crucial; assuming a time-independent θ PDF significantly overestimates the ice nucleation rates. It is stressed that the capacity of black carbon (BC) to form ice in the condensation/immersion freezing mode is highly uncertain, in particular at temperatures warmer than -20°C. In its current version, the parameterization most likely overestimates ice initiation by BC.

Colors and the evolution of amorphous galaxies

International Nuclear Information System (INIS)

Gallagher, J.S. III; Hunter, D.A.

1987-01-01

UBVRI and H-alpha photometric observations are presented for 16 amorphous galaxies and a comparison sample of Magellanic irregular (Im) and Sc spiral galaxies. These data are analyzed in terms of star-formation rates and histories in amorphous galaxies. Amorphous galaxies have mean global colors and star-formation rates per unit area that are similar to those in giant Im systems, despite differences in spatial distributions of star-forming centers in these two galactic structural classes. Amorphous galaxies differ from giant Im systems in having somewhat wider scatter in relationships between B - V and U - B colors, and between U - B and L(H-alpha)/L(B). This scatter is interpreted as resulting from rapid variations in star-formation rates during the recent past, which could be a natural consequence of the concentration of star-forming activity into centrally located, supergiant young stellar complexes in many amorphous galaxies. While the unusual spatial distribution and intensity of star formation in some amorphous galaxies is due to interactions with other galaxies, several amorphous galaxies are relatively isolated and thus the processes must be internal. The ultimate evolutionary fate of rapidly evolving amorphous galaxies remains unknown. 77 references

Multipole moments of water molecules in clusters and ice Ih from first principles calculations

International Nuclear Information System (INIS)

Batista, E.R.; Xantheas, S.S.; Jonsson, H.

1999-01-01

We have calculated molecular multipole moments for water molecules in clusters and in ice Ih by partitioning the charge density obtained from first principles calculations. Various schemes for dividing the electronic charge density among the water molecules were used. They include Bader close-quote s zero flux surfaces and Voronoi partitioning schemes. A comparison was also made with an induction model including dipole, dipole-quadrupole, quadrupole-quadrupole polarizability and first hyperpolarizability as well as fixed octopole and hexadecapole moments. We have found that the different density partitioning schemes lead to widely different values for the molecular multipoles, illustrating how poorly defined molecular multipoles are in clusters and condensed environments. For instance, the magnitude of the molecular dipole moment in ice Ih ranges between 2.3 D and 3.1 D depending on the partitioning scheme used. Within each scheme, though, the value for the molecular dipole moment in ice is larger than in the hexamer. The magnitude of the molecular dipole moment in the clusters shows a monotonic increase from the gas phase value to the one in ice Ih, with the molecular dipole moment in the water ring hexamer being smaller than the one in ice Ih for all the partitioning schemes used. copyright 1999 American Institute of Physics

Neutron Scattering Analysis of Water's Glass Transition and Micropore Collapse in Amorphous Solid Water.

Science.gov (United States)

Hill, Catherine R; Mitterdorfer, Christian; Youngs, Tristan G A; Bowron, Daniel T; Fraser, Helen J; Loerting, Thomas

2016-05-27

The question of the nature of water's glass transition has continued to be disputed over many years. Here we use slow heating scans (0.4  K min^{-1}) of compact amorphous solid water deposited at 77 K and an analysis of the accompanying changes in the small-angle neutron scattering signal, to study mesoscale changes in the ice network topology. From the data we infer the onset of rotational diffusion at 115 K, a sudden switchover from nondiffusive motion and enthalpy relaxation of the network at 121  K, in excellent agreement with the glass transition onset deduced from heat capacity and dielectric measurements. This indicates that water's glass transition is linked with long-range transport of water molecules on the time scale of minutes and, thus, clarifies its nature. Furthermore, the slow heating rates combined with the high crystallization resistance of the amorphous sample allow us to identify the glass transition end point at 136 K, which is well separated from the crystallization onset at 144 K-in contrast to all earlier experiments in the field.

Effect of gamma irradiation on density and thermal expansion changes of uniaxial oriented LLDPE

International Nuclear Information System (INIS)

Kacarevic-Popovic, Z.; Kostoski, D.; Novakovic, Lj.

1998-01-01

Complete text of publication follows. It is well known that gamma irradiation induces cross-linking in the amorphous phase of isotropic polyethylene, or chain scission in highly oriented fibers and films. Thermomechanical behavior and values of density are the reflection of the changes induced by gamma irradiation. Namely, scission of macromolecules, in general, increases thermal expansion coefficient and decreases density and vice versa. On the other hand, as it is well known, the thermal expansion behavior of oriented polymers shows marked anisotropy. It was found that many highly oriented polymers show a negative coefficient of thermal expansion in the draw direction and a positive coefficient in the transverse direction. It has been suggested that, apart from any intrinsic crystalline contribution, a significant part of the negative thermal expansion coefficients obtained for highly oriented polymers arises from the effect of entropy internal stresses in the amorphous regions. From our previous work, the thermal coefficients in draw direction of irradiated samples rise in the glass transition temperature range and it was related to the effects of cross-linking in the amorphous phase of LDPE. In our present work we observed initial decrease in density with absorbed dose, up to 35 kGy, and subsequent increase up to a dose of 500 kGy. The observed increase in thermal expansion coefficient followed the changes in density and is related to the parallel processes of chain scission and net cross-linking in the amorphous phase of LLDPE, induced by gamma irradiation

Trapping of CH4, CO, and CO2 in Amorphous Water Ice

Science.gov (United States)

Mastrapa, R. M. E.; Brown, R. H.; Anicich, V. G.; Cohen, B. A.; Dai, W.; Lunine, J. I.

1999-09-01

In this study, CO, CH4, and CO2 were trapped in H2O at temperatures as low as 20 K and pressures between 10-5 and 10-8 Torr. IR spectra were taken of each sample before sublimation to confirm the presence of volatiles. The samples were then heated at rates from 0.25 K/min to 1 K/min and the escape ranges were measured with a mass spectrometer. The volatiles escaped from the ice mixtures in temperature ranges similar to those found in previous work (1, 2, 3), namely 48-52 K, 145-160 K, 170-185 K. H2O is released from 150 K to 185 K. However, the temperature range of escape is strongly dependent on deposition temperature and heating rate. If the deposition temperature is below the point where the solid volatile rapidly sublimates in the ambient environment of our experiment, then the first range of volatile escape is centered around it's sublimation point, and there is little of the volatile remaining from 170-185 K. The location of the third escape range shifts to lower temperatures with slower sublimation rate. It was determined that 0.5 K/min is the ideal sample heating rate to determine these escape ranges. In our data, the infrared spectrum of CO trapped in water ice shows a splitting of the 2145 cm-1 solid CO line into two bands at 2343 cm-1 and 2135 cm-1. These shifts are similar to those seen by Sandford, et al. (4). (1) Bar-Nun, A., G. Herman, D. Laufer, and M. L. Rappaport, (1985), Icarus, 63, 317-332. (2) Bar-Nun, A., J. Dror, E. Kochavi, and D. Laufer, (1987), Physical Review B, 35, no. 5, 2427-2435. (3) Hudson, R. L., and B. Donn, (1991), Icarus, 94, 326-332. (4) Sandford, S. A., L. J. Allamandola, A. G. G. M. Tielens, and G. J. Valero, (1988), Astrophysical Journal, 329, 498-510.

Analysis and evaluation for practical application of photovoltaic power generation system. Analysis and evaluation for thin substrate polycrystalline solar cells (alloy-base amorphous materials, PIN layers, strains in the interface, and effects of impurities); Taiyoko hatsuden system jitsuyoka no tame no kaiseki hyoka. Usumaku taiyo denchi jitsuyoka no tame no kaiseki hyoka (gokinkei amorphous zairyo pin kakuso kaimen ni okeru yugami fujunbutsu nado no eikyo)

Energy Technology Data Exchange (ETDEWEB)

Matsuda, A; Oeda, H; Yamasaki, S; Hata, N; Kondo, M; Toshima, Y; Sakata, I; Ganguly, G; Suzuki, A; Kamei, T; Okushi, H; Nonaka, H; Oda, N; Katagiri, H; Ichimura, N; Kokubu, K; Nakamura, K; Sekikawa, T; Yamanaka, M [Electrotechnical Laboratory, Tsukuba (Japan)

1994-12-01

Described herein are the results of the FY1994 research program for analysis and evaluation for thin film solar cells. The study on quantitative analysis of hydrogen atoms in a plasma determines quantity of hydrogen atoms in the plasma of monosilane diluted with hydrogen. It is found, contrary to expectation, that quantity of hydrogen atoms in the plasma decreases as it is more diluted with hydrogen. The study on light-induced degradation of the thin chlorine-base amorphous silicon films confirms that the plasma CVD method with 20% of dichlorosilane gas added to monosilane gas produces the thin amorphous silicon film 3 times faster than the conventional method. The thin film has essentially the same defect density as the one prepared by the conventional method, showing good photoelectric characteristics. The thin film of chlorinated amorphous silicon has a 1 digit lower defect density than the conventional one of amorphous silicon, as revealed by the accelerated degradation test with irradiated laser light and the constant current method to determine saturated defect density. 3 figs.

Observation of correlation effects in the hopping transport in amorphous silicon

International Nuclear Information System (INIS)

Voegele, V.; Kalbitzer, S.; Boehringer, K.

1985-01-01

Amorphous silicon films have been modified by the implantation of Au or Si ions. The d.c. conductivity, measured between 300 and 15 K, was found to exhibit hopping exponents m which increase with decreasing temperature. Depending on the varied defect densities, m ranges between the limits of 1/4 and 1. These results can be explained by variable-range-hopping theory, if a Coulomb correlation term is included. (author)

Aero-thermal optimization of in-flight electro-thermal ice protection systems in transient de-icing mode

International Nuclear Information System (INIS)

Pourbagian, Mahdi; Habashi, Wagdi G.

2015-01-01

Highlights: • We introduce an efficient methodology for the optimization of a de-icing system. • We can replace the expensive CHT simulation by ROM without loosing much accuracy. • We propose different criteria affecting the energy usage and aerodynamic performance. • These criteria can significantly improve the performance of the de-icing system. - Abstract: Even if electro-thermal ice protection systems (IPS) consume less energy when operating in de-icing mode than in anti-icing mode, they still need to be optimized for energy usage. The optimization, however, should also take into account the effect of the de-icing system on the aerodynamic performance. The present work offers an optimization framework in which both thermal and aerodynamic viewpoints are taken into account in formulating various objective and constraint functions by considering the energy consumption, the thickness, the volume, the shape and the location of the accreted ice on the surface as the key parameters affecting the energy usage and the aerodynamic performance. The design variables include the power density and the activation time of the electric heating blankets. A derivative-free technique, called the mesh adaptive direct search (MADS) method, is used to carry out the optimization process, which would normally need a large number of unsteady conjugate heat transfer (CHT) calculations for the IPS simulation. To avoid such prohibitive computations, reduced-order modeling (ROM) is used to construct simplified low-dimensional CHT models. The approach is illustrated through several test cases, in which different combinations of objective and constraint functions, design variables and cycling sequence patterns are examined. In these test cases, the energy consumption is significantly reduced compared to the experiments by improving the spatial and temporal distribution of the thermal energy usage. The results show the benefits of the approach in bringing energy, safety and

A Bayesian Retrieval of Greenland Ice Sheet Internal Temperature from Ultra-wideband Software-defined Microwave Radiometer (UWBRAD) Measurements

Science.gov (United States)

Duan, Y.; Durand, M. T.; Jezek, K. C.; Yardim, C.; Bringer, A.; Aksoy, M.; Johnson, J. T.

2017-12-01

The ultra-wideband software-defined microwave radiometer (UWBRAD) is designed to provide ice sheet internal temperature product via measuring low frequency microwave emission. Twelve channels ranging from 0.5 to 2.0 GHz are covered by the instrument. A Greenland air-borne demonstration was demonstrated in September 2016, provided first demonstration of Ultra-wideband radiometer observations of geophysical scenes, including ice sheets. Another flight is planned for September 2017 for acquiring measurements in central ice sheet. A Bayesian framework is designed to retrieve the ice sheet internal temperature from simulated UWBRAD brightness temperature (Tb) measurements over Greenland flight path with limited prior information of the ground. A 1-D heat-flow model, the Robin Model, was used to model the ice sheet internal temperature profile with ground information. Synthetic UWBRAD Tb observations was generated via the partially coherent radiation transfer model, which utilizes the Robin model temperature profile and an exponential fit of ice density from Borehole measurement as input, and corrupted with noise. The effective surface temperature, geothermal heat flux, the variance of upper layer ice density, and the variance of fine scale density variation at deeper ice sheet were treated as unknown variables within the retrieval framework. Each parameter is defined with its possible range and set to be uniformly distributed. The Markov Chain Monte Carlo (MCMC) approach is applied to make the unknown parameters randomly walk in the parameter space. We investigate whether the variables can be improved over priors using the MCMC approach and contribute to the temperature retrieval theoretically. UWBRAD measurements near camp century from 2016 was also treated with the MCMC to examine the framework with scattering effect. The fine scale density fluctuation is an important parameter. It is the most sensitive yet highly unknown parameter in the estimation framework

CO-ices in embedded Young Stellar Objects

Science.gov (United States)

Teixeira, Teresa Cláeira V. S.

1998-09-01

significance of the results is discussed. Excellent fits to the nonpolar component of the CO-ices along the observed lines-of-sight are produced with ion irradiated pure CO ices. The possible origin of the ion irradiation is discussed, covering flares on the YSOs, cosmic rays and X-ray and UV processing. Predictions are made for the abundance of CO2 and methanol in the mantles. Furthermore, a comparison is made between the results of observations of CO and H2 O ices towards the Taurus and Ophiuchus dark clouds. The column densities of the ices are compared with the visual extinction, Av, through the clouds, and with the 1.3mm continuum emission from the YSOs. The inclusion of the objects in Taurus observed in this work resulted in the appearance of a discontinuity in the relation between the water-ice column density and Av, at the value of Av for which the optical depth at 3 microns (the wavelength of the water-ice absorption feature) is unity. Finally, all the observations and results discussed throughout the thesis are brought together to address their implications in the current understanding of the conditions in Taurus and Ophiuchus. Thesis and published paper available at http://www.obs.aau.dk/~tct/

Effects of Thermobaricity on Coupled Ice-Mixed Layer Thermodynamics

National Research Council Canada - National Science Library

Roth, Mathias

2003-01-01

.... This density structure often leads to entrainment and affects both the mixed layer depth and the ice thickness, Thermobaricity, the combined dependence of seawater thermal expansion on temperature...

CHEMICAL PROCESSING OF PURE AMMONIA AND AMMONIA-WATER ICES INDUCED BY HEAVY IONS

Energy Technology Data Exchange (ETDEWEB)

Bordalo, V.; Da Silveira, E. F. [Departamento de Fisica/Laboratorio do Acelerador Van de Graaff, Pontificia Universidade Catolica do Rio de Janeiro, Rua Marques de S. Vicente 225, 22451-900 Rio de Janeiro, RJ (Brazil); Lv, X. Y.; Domaracka, A.; Rothard, H.; Boduch, P. [Centre de Recherche sur les Ions, les Materiaux et la Photonique (CEA/CNRS/ENSICAEN/Universite de Caen-Basse Normandie), CIMAP-CIRIL-GANIL, Boulevard Henri Becquerel, BP 5133, F-14070 Caen Cedex 05 (France); Seperuelo Duarte, E., E-mail: vbordalo@fis.puc-rio.br [Grupo de Fisica e Astronomia, Instituto Federal do Rio de Janeiro, Rua Lucio Tavares 1045, 26530-060 Nilopolis, RJ (Brazil)

2013-09-10

Cosmic rays are possibly the main agents to prevent the freeze-out of molecules onto grain surfaces in cold dense clouds. Ammonia (NH{sub 3}) is one of the most abundant molecules present in dust ice mantles, with a concentration of up to 15% relative to water (H{sub 2}O). FTIR spectroscopy is used to monitor pure NH{sub 3} and NH{sub 3}-H{sub 2}O ice samples as they are irradiated with Ni and Zn ion beams (500-600 MeV) at GANIL/France. New species, such as hydrazine (N{sub 2}H{sub 4}), diazene (N{sub 2}H{sub 2} isomers), molecular hydrogen (H{sub 2}), and nitrogen (N{sub 2}) were identified after irradiation of pure NH{sub 3} ices. Nitrous oxide (N{sub 2}O), nitrogen oxide (NO), nitrogen dioxide (NO{sub 2}), and hydroxylamine (NH{sub 2}OH) are some of the products of the NH{sub 3}-H{sub 2}O ice radiolysis. The spectral band at 6.85 {mu}m was observed after irradiation of both types of ice. Besides the likely contribution of ammonium (NH{sub 4}{sup +}) and amino (NH{sub 2}) radicals, data suggest a small contribution of NH{sub 2}OH to this band profile after high fluences of irradiation of NH{sub 3}-H{sub 2}O ices. The spectral shift of the NH{sub 3} ''umbrella'' mode (9.3 {mu}m) band is parameterized as a function of NH{sub 3}/H{sub 2}O ratio in amorphous ices. Ammonia and water destruction cross-sections are obtained, as well as the rate of NH{sub 3}-H{sub 2}O (1:10) ice compaction, measured by the OH dangling bond destruction cross-section. Ammonia destruction is enhanced in the presence of H{sub 2}O in the ice and a power law relationship between stopping power and NH{sub 3} destruction cross-section is verified. Such results may provide relevant information for the evolution of molecular species in dense molecular clouds.

Ice and ocean velocity in the Arctic marginal ice zone: Ice roughness and momentum transfer

Directory of Open Access Journals (Sweden)

Sylvia T. Cole

2017-09-01

Full Text Available The interplay between sea ice concentration, sea ice roughness, ocean stratification, and momentum transfer to the ice and ocean is subject to seasonal and decadal variations that are crucial to understanding the present and future air-ice-ocean system in the Arctic. In this study, continuous observations in the Canada Basin from March through December 2014 were used to investigate spatial differences and temporal changes in under-ice roughness and momentum transfer as the ice cover evolved seasonally. Observations of wind, ice, and ocean properties from four clusters of drifting instrument systems were complemented by direct drill-hole measurements and instrumented overhead flights by NASA operation IceBridge in March, as well as satellite remote sensing imagery about the instrument clusters. Spatially, directly estimated ice-ocean drag coefficients varied by a factor of three with rougher ice associated with smaller multi-year ice floe sizes embedded within the first-year-ice/multi-year-ice conglomerate. Temporal differences in the ice-ocean drag coefficient of 20–30% were observed prior to the mixed layer shoaling in summer and were associated with ice concentrations falling below 100%. The ice-ocean drag coefficient parameterization was found to be invalid in September with low ice concentrations and small ice floe sizes. Maximum momentum transfer to the ice occurred for moderate ice concentrations, and transfer to the ocean for the lowest ice concentrations and shallowest stratification. Wind work and ocean work on the ice were the dominant terms in the kinetic energy budget of the ice throughout the melt season, consistent with free drift conditions. Overall, ice topography, ice concentration, and the shallow summer mixed layer all influenced mixed layer currents and the transfer of momentum within the air-ice-ocean system. The observed changes in momentum transfer show that care must be taken to determine appropriate parameterizations

Ice cream structure modification by ice-binding proteins.

Science.gov (United States)

Kaleda, Aleksei; Tsanev, Robert; Klesment, Tiina; Vilu, Raivo; Laos, Katrin

2018-04-25

Ice-binding proteins (IBPs), also known as antifreeze proteins, were added to ice cream to investigate their effect on structure and texture. Ice recrystallization inhibition was assessed in the ice cream mixes using a novel accelerated microscope assay and the ice cream microstructure was studied using an ice crystal dispersion method. It was found that adding recombinantly produced fish type III IBPs at a concentration 3 mg·L -1 made ice cream hard and crystalline with improved shape preservation during melting. Ice creams made with IBPs (both from winter rye, and type III IBP) had aggregates of ice crystals that entrapped pockets of the ice cream mixture in a rigid network. Larger individual ice crystals and no entrapment in control ice creams was observed. Based on these results a model of ice crystals aggregates formation in the presence of IBPs was proposed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ultrafast carrier dynamics in tetrahedral amorphous carbon: carrier trapping versus electron-hole recombination

International Nuclear Information System (INIS)

Carpene, E; Mancini, E; Dallera, C; Schwen, D; Ronning, C; Silvestri, S De

2007-01-01

We report the investigation of the ultrafast carrier dynamics in thin tetrahedral amorphous carbon films by means of femtosecond time-resolved reflectivity. We estimated the electron-phonon relaxation time of a few hundred femtoseconds and we observed that under low optical excitation photo-generated carriers decay according to two distinct mechanisms attributed to trapping by defect states and direct electron-hole recombination. With high excitation, when photo-carrier and trap densities are comparable, a unique temporal evolution develops, as the time dependence of the trapping process becomes degenerate with the electron-hole recombination. This experimental evidence highlights the role of defects in the ultrafast electronic dynamics and is not specific to this particular form of carbon, but has general validity for amorphous and disordered semiconductors

Structural change upon annealing of amorphous GeSbTe grown on Si(111)

Energy Technology Data Exchange (ETDEWEB)

Bragaglia, V., E-mail: bragaglia@pdi-berlin.de; Jenichen, B.; Giussani, A.; Perumal, K.; Riechert, H.; Calarco, R. [Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5-7, 10117 Berlin (Germany)

2014-08-07

The structural change upon annealing of an amorphous GeSbTe (GST) film deposited by molecular beam epitaxy on a Si(111) substrate is studied by means of X-ray diffraction (XRD), X-ray reflectivity (XRR), and atomic force microscopy (AFM). XRD profiles reveal that both metastable cubic and stable hexagonal phases are obtained with a single out-of-plane orientation. XRR study shows a density increase and consequent thickness decrease upon annealing, in accordance with literature. From both, the XRD and the AFM study, it emerges that the crystalline substrate acts as a template for the film, favoring the crystallization of the amorphous GST into the [111] oriented metastable cubic phase, and the latter turns into the [0001] stable hexagonal phase for higher annealing temperature.

Inverse Resistance Change Cr2Ge2Te6-Based PCRAM Enabling Ultralow-Energy Amorphization.

Science.gov (United States)

Hatayama, Shogo; Sutou, Yuji; Shindo, Satoshi; Saito, Yuta; Song, Yun-Heub; Ando, Daisuke; Koike, Junichi

2018-01-24

Phase-change random access memory (PCRAM) has attracted much attention for next-generation nonvolatile memory that can replace flash memory and can be used for storage-class memory. Generally, PCRAM relies on the change in the electrical resistance of a phase-change material between high-resistance amorphous (reset) and low-resistance crystalline (set) states. Herein, we present an inverse resistance change PCRAM with Cr 2 Ge 2 Te 6 (CrGT) that shows a high-resistance crystalline reset state and a low-resistance amorphous set state. The inverse resistance change was found to be due to a drastic decrease in the carrier density upon crystallization, which causes a large increase in contact resistivity between CrGT and the electrode. The CrGT memory cell was demonstrated to show fast reversible resistance switching with a much lower operating energy for amorphization than a Ge 2 Sb 2 Te 5 memory cell. This low operating energy in CrGT should be due to a small programmed amorphous volume, which can be realized by a high-resistance crystalline matrix and a dominant contact resistance. Simultaneously, CrGT can break the trade-off relationship between the crystallization temperature and operating speed.

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....... The first part concerns time series analysis of ice core data obtained from the Greenland Ice Sheet. We analyze parts of the time series where DO-events occur using the so-called transfer operator and compare the results with time series from a simple model capable of switching by either undergoing...

Proton dynamics and the phase diagram of dense water ice.

Science.gov (United States)

Hernandez, J-A; Caracas, R

2018-06-07

All the different phases of water ice between 2 GPa and several megabars are based on a single body-centered cubic sub-lattice of oxygen atoms. They differ only by the behavior of the hydrogen atoms. In this study, we investigate the dynamics of the H atoms at high pressures and temperatures in water ice from first-principles molecular dynamics simulations. We provide a detailed analysis of the O-H⋯O bonding dynamics over the entire stability domain of the body-centered cubic (bcc) water ices and compute transport properties and vibrational density-of-states. We report the first ab initio evidence for a plastic phase of water and we propose a coherent phase diagram for bcc water ices compatible with the two groups of melting curves and with the multiple anomalies reported in ice VII around 15 GPa.

Eulerian Method for Ice Crystal Icing

NARCIS (Netherlands)

Norde, Ellen; van der Weide, Edwin Theodorus Antonius; Hoeijmakers, Hendrik Willem Marie

In this study, an ice accretion method aimed at ice crystal icing in turbofan engines is developed and demonstrated for glaciated as well as mixed-phase icing conditions. The particle trajectories are computed by an Eulerian trajectory method. The effects of heat transfer and phase change on the

Molecular-dynamics study of amorphization by introduction of chemical disorder in crystalline NiZr2

International Nuclear Information System (INIS)

Massobrio, C.; Pontikis, V.; Martin, G.

1990-01-01

By means of constant-temperature, constant-pressure molecular dynamics, we investigate the crystal-to-amorphous transformation of the intermetallic alloy NiZr 2 resulting from the introduction of antisite defects. We constructed an n-body potential in the framework of the second-moment approximation of the tight-binding description of the electronic density of states. This modeling of the interatomic forces is successful in reproducing both static and thermodynamic properties of the real material. The imposition of chemical disorder quantified by the appropriate value of the long-range-order parameter, S, engenders a volume expansion followed by relaxation to a stationary state characterized by lower density and higher potential energy. The behavior of the pair distribution functions, g(r), reveals that amorphization takes place for values of S≤0.6, the corresponding volume expansion being of the order of 2%. Moreover the thermodynamic states obtained by chemical destabilization and rapid quenching from the liquid state are nearly identical. On the time scale of our simulations (10 -10 s), no detectable long-range diffusion of either species follows the introduction of chemical disorder. Some relevant features of the pair distribution functions (first and second peak positions, number of nearest neighbors) are in good agreement with those obtained experimentally from amorphous NiZr 2 samples generated by rapid quenching

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.

Experimental provocation of 'ice-cream headache' by ice cubes and ice water.

Science.gov (United States)

Mages, Stephan; Hensel, Ole; Zierz, Antonia Maria; Kraya, Torsten; Zierz, Stephan

2017-04-01

Background There are various studies on experimentally provoked 'ice-cream headache' or 'headache attributed to ingestion or inhalation of a cold stimulus' (HICS) using different provocation protocols. The aim of this study was to compare two provocation protocols. Methods Ice cubes pressed to the palate and fast ingestion of ice water were used to provoke HICS and clinical features were compared. Results The ice-water stimulus provoked HICS significantly more often than the ice-cube stimulus (9/77 vs. 39/77). Ice-water-provoked HICS had a significantly shorter latency (median 15 s, range 4-97 s vs. median 68 s, range 27-96 s). There was no difference in pain localisation. Character after ice-cube stimulation was predominantly described as pressing and after ice-water stimulation as stabbing. A second HICS followed in 10/39 (26%) of the headaches provoked by ice water. Lacrimation occurred significantly more often in volunteers with than in those without HICS. Discussion HICS provoked by ice water was more frequent, had a shorter latency, different pain character and higher pain intensity than HICS provoked by ice cubes. The finding of two subsequent HICS attacks in the same volunteers supports the notion that two types of HICS exist. Lacrimation during HICS indicates involvement of the trigeminal-autonomic reflex.

Processing-dependent thermal stability of a prototypical amorphous metal oxide

Science.gov (United States)

Zeng, Li; Moghadam, Mahyar M.; Buchholz, D. Bruce; Li, Ran; Keane, Denis T.; Dravid, Vinayak P.; Chang, Robert P. H.; Voorhees, Peter W.; Marks, Tobin J.; Bedzyk, Michael J.

2018-05-01

Amorphous metal oxides (AMOs) are important candidate materials for fabricating next-generation thin-film transistors. While much attention has been directed toward the synthesis and electrical properties of AMOs, less is known about growth conditions that allow AMOs to retain their desirable amorphous state when subjected to high operating temperatures. Using in situ x-ray scattering and level-set simulations, we explore the time evolution of the crystallization process for a set of amorphous I n2O3 thin films synthesized by pulsed-laser deposition at deposition temperatures (Td) of -50, -25, and 0 °C. The films were annealed isothermally and the degree of crystallinity was determined by a quantitative analysis of the time-evolved x-ray scattering patterns. As expected, for films grown at the same Td, an increase in the annealing temperature TA led to a shorter delay prior to the onset of crystallization, and a faster crystallization rate. Moreover, when lowering the deposition temperature by 25 °C, a 40 °C increase in annealing temperature is needed to achieve the same time interval for the crystals to grow from 10 to 90% volume fraction of the sample. Films grown at Td=0 ∘C exhibited strong cubic texture after crystallization. A level-set method was employed to quantitatively model the texture that develops in the microstructures and to determine key parameters, such as the interface growth velocity, the nucleation density, and the activation energy. The differences observed in the crystallization processes are attributed to the changes in the atomic structure of the oxide and possible nanocrystalline inclusions that formed during the deposition of the amorphous phase.

Amorphous silicon thin-film solar cells on glass fiber textiles

Energy Technology Data Exchange (ETDEWEB)

Plentz, Jonathan, E-mail: jonathan.plentz@leibniz-ipht.de; Andrä, Gudrun; Pliewischkies, Torsten; Brückner, Uwe; Eisenhawer, Björn; Falk, Fritz

2016-02-15

Graphical abstract: - Highlights: • Amorphous silicon solar cells on textile glass fiber fabrics are demonstrated. • Open circuit voltages of 883 mV show shunt-free contacting on non-planar fabrics. • Short-circuit current densities of 3.7 mA/cm{sup 2} are limited by transmission losses. • Fill factors of 43.1% and pseudo fill factors of 70.2% show high series resistance. • Efficiencies of 1.4% and pseudo efficiencies of 2.1% realized on textile fabrics. - Abstract: In this contribution, amorphous silicon thin-film solar cells on textile glass fiber fabrics for smart textiles are prepared and the photovoltaic performance is characterized. These solar cells on fabrics delivered open circuit voltages up to 883 mV. This shows that shunt-free contacting of the solar cells was successful, even in case of non-planar fabrics. The short-circuit current densities up to 3.7 mA/cm{sup 2} are limited by transmission losses in a 10 nm thin titanium layer, which was used as a semi-transparent contact. The low conductivity of this layer limits the fill factor to 43.1%. Pseudo fill factors, neglecting the series resistance, up to 70.2% were measured. Efficiencies up to 1.4% and pseudo efficiencies up to 2.1% were realized on textile fabrics. A transparent conductive oxide could further improve the efficiency to above 5%.

Accretion growth of water-ice grains in astrophysically-relevant dusty plasma experiment

Science.gov (United States)

Chai, Kil-Byoung; Marshall, Ryan; Bellan, Paul

2016-10-01

The grain growth process in the Caltech water-ice dusty plasma experiment has been studied using a high-speed camera equipped with a long-distance microscope lens. It is found that (i) the ice grain number density decreases four-fold as the average grain length increases from 20 to 80 um, (ii) the ice grain length has a log-normal distribution rather than a power-law dependence, and (iii) no collisions between ice grains are apparent. The grains have a large negative charge so the agglomeration growth is prevented by their strong mutual repulsion. It is concluded that direct accretion of water molecules is in good agreement with the observed ice grain growth. The volumetric packing factor of the ice grains must be less than 0.25 in order for the grain kinetic energy to be sufficiently small to prevent collisions between ice grains; this conclusion is consistent with ice grain images showing a fractal character.

Influence of the anodic etching current density on the morphology of the porous SiC layer

Directory of Open Access Journals (Sweden)

Anh Tuan Cao

2014-03-01

Full Text Available In this report, we fabricated a porous layer in amorphous SiC thin films by using constant-current anodic etching in an electrolyte of aqueous diluted hydrofluoric acid. The morphology of the porous amorphous SiC layer changed as the anodic current density changed: At low current density, the porous layer had a low pore density and consisted of small pores that branched downward. At moderate current density, the pore size and depth increased, and the pores grew perpendicular to the surface, creating a columnar pore structure. At high current density, the porous structure remained perpendicular, the pore size increased, and the pore depth decreased. We explained the changes in pore size and depth at high current density by the growth of a silicon oxide layer during etching at the tips of the pores.

Ice nucleation properties of fine ash particles from the Eyjafjallajökull eruption in April 2010