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.

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

Directory of Open Access Journals (Sweden)

David J. Anick

2013-04-01

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

Large-Scale Structure and Hyperuniformity of Amorphous Ices

Science.gov (United States)

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

2017-09-01

We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of "surface-area fluctuations"). Our investigation challenges the largely accepted "frozen-liquid" picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.

Theory of amorphous ices.

Science.gov (United States)

Limmer, David T; Chandler, David

2014-07-01

We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer simulations. Along with nonequilibrium transitions between the ergodic liquid and two distinct amorphous solids, we establish coexistence between these two amorphous solids. The phase diagram we predict includes a nonequilibrium triple point where two amorphous phases and the liquid coexist. Whereas the amorphous solids are long-lived and slowly aging glasses, their melting can lead quickly to the formation of crystalline ice. Further, melting of the higher density amorphous solid at low pressures takes place in steps, transitioning to the lower-density glass before accessing a nonequilibrium liquid from which ice coarsens.

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.

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

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

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.

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)

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

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

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...

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.

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)

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.

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

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.

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...

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)

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

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

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

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).

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.

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.

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.

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.

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.

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.

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 %) .

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.

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.

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.

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.

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

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

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.

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.

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.

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.

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.

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.

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.

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.

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

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

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.

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.

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

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

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.

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...

{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

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.

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.

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

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%

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.

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.

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...

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.

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.

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.

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.

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)

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.

Nitrogen-doped amorphous carbon-silicon core-shell structures for high-power supercapacitor electrodes.

Science.gov (United States)

Tali, S A Safiabadi; Soleimani-Amiri, S; Sanaee, Z; Mohajerzadeh, S

2017-02-10

We report successful deposition of nitrogen-doped amorphous carbon films to realize high-power core-shell supercapacitor electrodes. A catalyst-free method is proposed to deposit large-area stable, highly conformal and highly conductive nitrogen-doped amorphous carbon (a-C:N) films by means of a direct-current plasma enhanced chemical vapor deposition technique (DC-PECVD). This approach exploits C 2 H 2 and N 2 gases as the sources of carbon and nitrogen constituents and can be applied to various micro and nanostructures. Although as-deposited a-C:N films have a porous surface, their porosity can be significantly improved through a modification process consisting of Ni-assisted annealing and etching steps. The electrochemical analyses demonstrated the superior performance of the modified a-C:N as a supercapacitor active material, where specific capacitance densities as high as 42 F/g and 8.5 mF/cm 2 (45 F/cm 3 ) on silicon microrod arrays were achieved. Furthermore, this supercapacitor electrode showed less than 6% degradation of capacitance over 5000 cycles of a galvanostatic charge-discharge test. It also exhibited a relatively high energy density of 2.3 × 10 3  Wh/m 3 (8.3 × 10 6  J/m 3 ) and ultra-high power density of 2.6 × 10 8  W/m 3 which is among the highest reported values.

Doping efficiency analysis of highly phosphorous doped epitaxial/amorphous silicon emitters grown by PECVD for high efficiency silicon solar cells

Energy Technology Data Exchange (ETDEWEB)

El-Gohary, H.G.; Sivoththaman, S. [Waterloo Univ., ON (Canada). Dept. of Electrical and Computer Engineering

2008-08-15

The efficient doping of hydrogenated amorphous and crystalline silicon thin films is a key factor in the fabrication of silicon solar cells. The most popular method for developing those films is plasma enhanced chemical vapor deposition (PECVD) because it minimizes defect density and improves doping efficiency. This paper discussed the preparation of different structure phosphorous doped silicon emitters ranging from epitaxial to amorphous films at low temperature. Phosphine (PH{sub 3}) was employed as the doping gas source with the same gas concentration for both epitaxial and amorphous silicon emitters. The paper presented an analysis of dopant activation by applying a very short rapid thermal annealing process (RTP). A spreading resistance profile (SRP) and SIMS analysis were used to detect both the active dopant and the dopant concentrations, respectively. The paper also provided the results of a structural analysis for both bulk and cross-section at the interface using high-resolution transmission electron microscopy and Raman spectroscopy, for epitaxial and amorphous films. It was concluded that a unity doping efficiency could be achieved in epitaxial layers by applying an optimized temperature profile using short time processing rapid thermal processing technique. The high quality, one step epitaxial layers, led to both high conductive and high doping efficiency layers.

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

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 ...

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.

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.)

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.

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.

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

Charge deep-level transient spectroscopy study of high-energy-electron-beam-irradiated hydrogenated amorphous silicon

NARCIS (Netherlands)

Klaver, A.; Nádaždy, V.; Zeman, M.; Swaaiij, R.A.C.M.M.

2006-01-01

We present a study of changes in the defect density of states in hydrogenated amorphous silicon (a-Si:H) due to high-energy electron irradiation using charged deep-level transient spectroscopy. It was found that defect states near the conduction band were removed, while in other band gap regions the

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.

Low-density to high-density transition in Ce75Al23Si2 metallic glass

International Nuclear Information System (INIS)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z; Fang, Y Z; Wu, F M; Yang, K; Li, A G; Yan, S; Yu, X H; Lathe, C

2010-01-01

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce 75 Al 23 Si 2 metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T x ) between them with a turning point at about 2 GPa. Compared with Ce 75 Al 25 metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T x and changes their slopes dT x /dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

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

High transmittance contrast in amorphous to hexagonal phase of Ge2Sb2Te5: Reversible NIR-window

Science.gov (United States)

Singh, Palwinder; Singh, A. P.; Kanda, Neetu; Mishra, Monu; Gupta, Govind; Thakur, Anup

2017-12-01

Ge2Sb2Te5 (GST) is one of the best phase change materials because of its splendid set of properties, viz., high thermal stability, fast crystallization speed, good endurance, scalability, and reliability. Phase transition [amorphous → face centered cubic (fcc) → hexagonal close packed (hcp)] of GST thin films with annealing was studied using X-ray diffraction. Thin films in amorphous, fcc, and hcp phases are highly, medium, and negligible transparent in the near infra-red region, respectively. The optical transmission in amorphous, fcc, and hcp phases is ˜92%, ˜46%, and ˜2%, respectively, at the wavelength of 2740 nm. At 2740 nm, a high transmission contrast (˜90%) is observed with phase transition from the amorphous to hcp phase. By utilizing large transmission contrast, it is demonstrated that GST can be availed as a potential candidate for reversible near infra-red-window. The sharp change in optical transmission with phase transition can be understood from the change in density of states in the valence band.

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)

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.

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

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

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.

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

Directory of Open Access Journals (Sweden)

Claude R. Joiris

2016-01-01

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

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 ...

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

Excessively High Vapor Pressure of Al-based Amorphous Alloys

Directory of Open Access Journals (Sweden)

Jae Im Jeong

2015-10-01

Full Text Available Aluminum-based amorphous alloys exhibited an abnormally high vapor pressure at their approximate glass transition temperatures. The vapor pressure was confirmed by the formation of Al nanocrystallites from condensation, which was attributed to weight loss of the amorphous alloys. The amount of weight loss varied with the amorphous alloy compositions and was inversely proportional to their glass-forming ability. The vapor pressure of the amorphous alloys around 573 K was close to the vapor pressure of crystalline Al near its melting temperature, 873 K. Our results strongly suggest the possibility of fabricating nanocrystallites or thin films by evaporation at low temperatures.

Serially Connected Micro Amorphous Silicon Solar Cells for Compact High-Voltage Sources

Directory of Open Access Journals (Sweden)

Jiyoon Nam

2016-01-01

Full Text Available We demonstrate a compact amorphous silicon (a-Si solar module to be used as high-voltage power supply. In comparison with the organic solar module, the main advantages of the a-Si solar module are its compatibility with photolithography techniques and relatively high power conversion efficiency. The open circuit voltage of a-Si solar cells can be easily controlled by serially interconnecting a-Si solar cells. Moreover, the a-Si solar module can be easily patterned by photolithography in any desired shapes with high areal densities. Using the photolithographic technique, we fabricate a compact a-Si solar module with noticeable photovoltaic characteristics as compared with the reported values for high-voltage power supplies.

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.

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.

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

Thermodynamics of high-pressure ice polymorphs : ices III and V

NARCIS (Netherlands)

Tchijov, [No Value; Ayala, RB; Leon, GC; Nagornov, O

Thermodynamic properties of high-pressure ice polymorphs, ices III and V, are studied theoretically. The results of TIP4P molecular dynamics simulations in the NPT ensemble are used to calculate the temperature dependence of the specific volume of ices III and V at pressures 0.25 and 0.5 GPa,

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.

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

Impact of hydrogen dilution on optical properties of intrinsic hydrogenated amorphous silicon films prepared by high density plasma chemical vapor deposition for solar cell applications

Science.gov (United States)

Chen, Huai-Yi; Lee, Yao-Jen; Chang, Chien-Pin; Koo, Horng-Show; Lai, Chiung-Hui

2013-01-01

P-i-n single-junction hydrogenated amorphous silicon (a-Si:H) thin film solar cells were successfully fabricated in this study on a glass substrate by high density plasma chemical vapor deposition (HDP-CVD) at low power of 50 W, low temperature of 200°C and various hydrogen dilution ratios (R). The open circuit voltage (Voc ), short circuit current density (Jsc ), fill factor (FF) and conversion efficiency (η) of the solar cell as well as the refractive index (n) and absorption coefficient (α) of the i-layer at 600 nm wavelength rise with increasing R until an abrupt drop at high hydrogen dilution, i.e. R > 0.95. However, the optical energy bandgap (Eg ) of the i-layer decreases with the R increase. Voc and α are inversely correlated with Eg . The hydrogen content affects the i-layer and p/i interface quality of the a-Si:H thin film solar cell with an optimal value of R = 0.95, which corresponds to solar cell conversion efficiency of 3.85%. The proposed a-Si:H thin film solar cell is expected to be improved in performance.

Characterizing Arctic Sea Ice Topography Using High-Resolution IceBridge Data

Science.gov (United States)

Petty, Alek; Tsamados, Michel; Kurtz, Nathan; Farrell, Sinead; Newman, Thomas; Harbeck, Jeremy; Feltham, Daniel; Richter-Menge, Jackie

2016-01-01

We present an analysis of Arctic sea ice topography using high resolution, three-dimensional, surface elevation data from the Airborne Topographic Mapper, flown as part of NASA's Operation IceBridge mission. Surface features in the sea ice cover are detected using a newly developed surface feature picking algorithm. We derive information regarding the height, volume and geometry of surface features from 2009-2014 within the Beaufort/Chukchi and Central Arctic regions. The results are delineated by ice type to estimate the topographic variability across first-year and multi-year ice regimes.

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

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

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.

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

Low-density to high-density transition in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z [International Center for New-Structured Materials, Zhejiang University, Hangzhou 310027 (China); Fang, Y Z; Wu, F M [College of Mathematics, Physics and Information Engineering, Zhejiang Normal University, Jinhua 321004, Zhejiang (China); Yang, K; Li, A G; Yan, S; Yu, X H [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203 (China); Lathe, C, E-mail: qiaoshizeng@gmail.co, E-mail: jiangjz@zju.edu.c [HASYLAB am DESY, Notkestrasse 85, Hamburg D-22603 (Germany)

2010-09-22

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T{sub x}) between them with a turning point at about 2 GPa. Compared with Ce{sub 75}Al{sub 25} metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T{sub x} and changes their slopes dT{sub x}/dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

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

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

Possible Mechanisms for Turbofan Engine Ice Crystal Icing at High Altitude

Science.gov (United States)

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

2016-01-01

A thermodynamic model is presented to describe possible mechanisms of ice formation on unheated surfaces inside a turbofan engine compression system from fully glaciated ice crystal clouds often formed at high altitude near deep convective weather systems. It is shown from the analysis that generally there could be two distinct types of ice formation: (1) when the "surface freezing fraction" is in the range of 0 to 1, dominated by the freezing of water melt from fully or partially melted ice crystals, the ice structure is formed from accretion with strong adhesion to the surface, and (2) when the "surface melting fraction" is the range of 0 to 1, dominated by the further melting of ice crystals, the ice structure is formed from accumulation of un-melted ice crystals with relatively weak bonding to the surface. The model captures important qualitative trends of the fundamental ice-crystal icing phenomenon reported earlier (Refs. 1 and 2) from the research collaboration work by NASA and the National Research Council (NRC) of Canada. Further, preliminary analysis of test data from the 2013 full scale turbofan engine ice crystal icing test (Ref. 3) conducted in the NASA Glenn Propulsion Systems Laboratory (PSL) has also suggested that (1) both types of ice formation occurred during the test, and (2) the model has captured some important qualitative trend of turning on (or off) the ice crystal ice formation process in the tested engine low pressure compressor (LPC) targeted area under different icing conditions that ultimately would lead to (or suppress) an engine core roll back (RB) event.

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.

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.

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

High-Gain Avalanche Rushing amorphous Photoconductor (HARP) detector

Energy Technology Data Exchange (ETDEWEB)

Tanioka, K. [NHK Science and Technical Research Laboratories, 1-10-11 Kinuta, Setagaya-ku, Tokyo 157-8510 (Japan)], E-mail: tanioka.k-jg@nhk.or.jp

2009-09-01

We have been studying a very sensitive image sensor since the early 1980s. In 1985, the author found for the first time that an experimental pickup tube with an amorphous selenium photoconductive target exhibits high sensitivity with excellent picture quality because of a continuous and stable avalanche multiplication phenomenon. We named the pickup tube with an amorphous photoconductive layer operating in the avalanche-mode 'HARP': High-gain Avalanche Rushing amorphous Photoconductor. A color camera equipped with the HARP pickup tubes has a maximum sensitivity of 11 lx at F8. This means that the HARP camera is about 100 times as sensitive as that of CCD camera for broadcasting. This ultrahigh-sensitivity HARP pickup tube is a powerful tool for reporting breaking news at night and other low-light conditions, the production of scientific programs, and numerous other applications, including medical diagnoses, biotech research, and nighttime surveillance. In addition, since the HARP target can convert X-rays into electrons directly, it should be possible to exploit this capability to produce X-ray imaging devices with unparalleled levels of resolution and sensitivity.

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.

Amorphous silicon as high index photonic material

Science.gov (United States)

Lipka, T.; Harke, A.; Horn, O.; Amthor, J.; Müller, J.

2009-05-01

Silicon-on-Insulator (SOI) photonics has become an attractive research topic within the area of integrated optics. This paper aims to fabricate SOI-structures for optical communication applications with lower costs compared to standard fabrication processes as well as to provide a higher flexibility with respect to waveguide and substrate material choice. Amorphous silicon is deposited on thermal oxidized silicon wafers with plasma-enhanced chemical vapor deposition (PECVD). The material is optimized in terms of optical light transmission and refractive index. Different a-Si:H waveguides with low propagation losses are presented. The waveguides were processed with CMOS-compatible fabrication technologies and standard DUV-lithography enabling high volume production. To overcome the large mode-field diameter mismatch between incoupling fiber and sub-μm waveguides three dimensional, amorphous silicon tapers were fabricated with a KOH etched shadow mask for patterning. Using ellipsometric and Raman spectroscopic measurements the material properties as refractive index, layer thickness, crystallinity and material composition were analyzed. Rapid thermal annealing (RTA) experiments of amorphous thin films and rib waveguides were performed aiming to tune the refractive index of the deposited a-Si:H waveguide core layer after deposition.

Large-deformation and high-strength amorphous porous carbon nanospheres

Science.gov (United States)

Yang, Weizhu; Mao, Shimin; Yang, Jia; Shang, Tao; Song, Hongguang; Mabon, James; Swiech, Wacek; Vance, John R.; Yue, Zhufeng; Dillon, Shen J.; Xu, Hangxun; Xu, Baoxing

2016-04-01

Carbon is one of the most important materials extensively used in industry and our daily life. Crystalline carbon materials such as carbon nanotubes and graphene possess ultrahigh strength and toughness. In contrast, amorphous carbon is known to be very brittle and can sustain little compressive deformation. Inspired by biological shells and honeycomb-like cellular structures in nature, we introduce a class of hybrid structural designs and demonstrate that amorphous porous carbon nanospheres with a thin outer shell can simultaneously achieve high strength and sustain large deformation. The amorphous carbon nanospheres were synthesized via a low-cost, scalable and structure-controllable ultrasonic spray pyrolysis approach using energetic carbon precursors. In situ compression experiments on individual nanospheres show that the amorphous carbon nanospheres with an optimized structure can sustain beyond 50% compressive strain. Both experiments and finite element analyses reveal that the buckling deformation of the outer spherical shell dominates the improvement of strength while the collapse of inner nanoscale pores driven by twisting, rotation, buckling and bending of pore walls contributes to the large deformation.

Development of large area, high efficiency amorphous silicon solar cell

Energy Technology Data Exchange (ETDEWEB)

Yoon, K.S.; Kim, S.; Kim, D.W. [Yu Kong Taedok Institute of Technology (Korea, Republic of)

1996-02-01

The objective of the research is to develop the mass-production technologies of high efficiency amorphous silicon solar cells in order to reduce the costs of solar cells and dissemination of solar cells. Amorphous silicon solar cell is the most promising option of thin film solar cells which are relatively easy to reduce the costs. The final goal of the research is to develop amorphous silicon solar cells having the efficiency of 10%, the ratio of light-induced degradation 15% in the area of 1200 cm{sup 2} and test the cells in the form of 2 Kw grid-connected photovoltaic system. (author) 35 refs., 8 tabs., 67 figs.

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)

High Pressure and High Temperature State of Oxygen Enriched Ice

Science.gov (United States)

LI, M.; Zhang, S.; Jeanloz, R.; Militzer, B.

2016-12-01

Interior models for Uranus and Neptune include a hydrogen/helium/water outer envelope and a core of rock and metal at the center, with superionic water-rich ice proposed as comprising an intermediate layer. Here we consider an oxygen-enriched ice, such as H2O2 hydrogen peroxide (± water), that could form through chemical reaction between water-rich and underlying rocky (i.e., oxygen-rich) layers. As oxygen and its compounds (e.g., H2O, SiO2) form metallic fluids at pressures above 100-150 GPa, the problem amounts to considering oxygen alloying of semiconducting or metallic water. The density of H2O2 is 1.45 g/cc at ambient pressure and 0° C, increasing to 1.71 g/cc in the solid state at about -20° C. There are no Hugoniot data beyond 30 GPa, so we estimated Hugoniots for H2O2 with different initial densities, using both a mixing model based on Hugoniot data for H2O2 and 1/2 O2 (molar volume summation under pressure) and ab initio calculations for unreacted H2O2. The results agree with each other to pressures of about 200 GPa, and the ab initio calculations show evidence of a superionic state at temperatures as low as 500 K, much lower than for water ice. Hydrogen peroxide is expected to be liquid along planetary isentropes for Uranus and Neptune, suggesting that H2O2 may not be present as a pure compound in these planets. Instead, oxygen-enriched H2O ice may be the relevant form of water and oxygen, and might be produced in the laboratory by way of dynamic compression of H2O2 or laser-heating of statically compressed H2O + O2 and/or H2O2.

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.

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.}.

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

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.

Amorphous and nanocrystalline phase formation in highly-driven Al-based binary alloys

International Nuclear Information System (INIS)

Kalay, Yunus Eren

2008-01-01

deviation indicates an adiabatic type solidification path where heat of fusion is reabsorbed. It is interesting that this particle size range is also consistent with the appearance of a microcellular growth. While no glass formation is observed within this system, the smallest size powders appear to consist of a mixture of nanocrystalline Si and Al. Al-Sm alloys have been investigated within a composition range of 34 to 42 wt% Sm. Gas atomized powders of Al-Sm are investigated to explore the morphological and structural hierarchy that correlates with different degrees of departure from full equilibrium conditions. The resultant powders show a variety of structural selection with respect to amount of undercooling, with an amorphous structure appearing at the highest cooling rates. Because of the chaotic nature of gas atomization, Cu-block melt-spinning is used to produce a homogeneous amorphous structure. The as-quenched structure within Al-34 to 42 wt% Sm consists of nanocrystalline fcc-Al (on the order of 5 nm) embedded in an amorphous matrix. The nucleation density of fcc-Al after initial crystallization is on the order of 10 22 -10 23 m -3 , which is 10 5 -10 6 orders of magnitude higher than what classical nucleation theory predicts. Detailed analysis of liquid and as-quenched structures using high energy synchrotron X-ray diffraction, high energy transmission electron microscopy, and atom probe tomography techniques revealed an Al-Sm network similar in appearance to a medium range order (MRO) structure. A model whereby these MRO clusters promote the observed high nucleation density of fcc-Al nanocrystals is proposed. The devitrification path was identified using high temperature, in-situ, high energy synchrotron X-ray diffraction techniques and the crystallization kinetics were described using an analytical Johnson-Mehl-Avrami (JMA) approach.

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.

Amorphous germanium as an electron or hole blocking contact on high-purity germanium detectors

International Nuclear Information System (INIS)

Hansen, W.L.; Haller, E.E.

1976-10-01

Experiments were performed in an attempt to make thin n + contacts on high-purity germanium by the solid phase/sup 1)/ epitaxial regrowth of arsenic doped amorphous germanium. After cleaning the crystal surface with argon sputtering and trying many combinations of layers, it was not found possible to induce recrystallization below 400 0 C. However, it was found that simple thermally evaporated amorphous Ge made fairly good electron or hole blocking contacts. Excellent spectrometers have been made with amorphous Ge replacing the n + contact. As presently produced, the amorphous Ge contact diodes show a large variation in high-voltage leakage current

Amorphous structure evolution of high power diode laser cladded Fe–Co–B–Si–Nb coatings

International Nuclear Information System (INIS)

Zhu Yanyan; Li Zhuguo; Huang Jian; Li Min; Li Ruifeng; Wu Yixiong

2012-01-01

Highlights: ► Fabricated amorphous composited coating by high power diode laser cladding with single track. ► Lower dilution and higher scanning speed are desired to obtain higher amorphous phase fraction. ► White spots phase with high content of Nb embedded in the amorphous matrix. - Abstract: Fe–Co–B–Si–Nb coatings were fabricated on the surface of low carbon steel using high power diode laser cladding of [(Fe 0.5 Co 0.5 ) 0.75 B 0.2 Si 0.05 ] 95.7 Nb 4.3 amorphous powders at three different scanning speeds of 6, 17 and 50 m/s. At each scanning speed, laser power was optimized to obtain low dilution ratio. Scanning electron microscopy, X-ray diffraction, transmission electron microscopy with energy dispersive spectrometer and electron probe micro analysis were carried out to characterize the microstructure and chemical composition of the cladded coatings. Differential scanning calorimetry was also carried out to investigate the fraction of the amorphous phase. The results showed that dilution ratio and scanning speed were the two main factors for fabricating Fe–Co–B–Si–Nb amorphous coating by high power diode laser cladding. Low dilution ratio was crucial for the formation of amorphous phase. When the dilution ratio was low, the fraction of amorphous phase in the cladded coatings increased upon increasing the scanning speed.

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

Nanoplasmonically Engineered Interfaces on Amorphous TiO2 for Highly Efficient Photocatalysis in Hydrogen Evolution.

Science.gov (United States)

Liang, Huijun; Meng, Qiuxia; Wang, Xiaobing; Zhang, Hucheng; Wang, Jianji

2018-04-25

The nanoplasmonic metal-driven photocatalytic activity depends heavily on the spacing between metal nanoparticles (NPs) and semiconductors, and this work shows that ethylene glycol (EG) is an ideal candidate for interface spacer. Controlling the synthetic systems at pH 3, the composite of Ag NPs with EG-stabilized amorphous TiO 2 (Ag/TiO 2 -3) was synthesized by the facile light-induced reduction. It is verified that EG spacers can set up suitable geometric arrangement in the composite: the twin hydroxyls act as stabilizers to bind Ag NPs and TiO 2 together and the nonconductive alkyl chains consisting only of two CH 2 are able to separate the two building blocks completely and also provide the shortest channels for an efficient transfer of radiation energies to reach TiO 2 . Employed as photocatalysts in hydrogen evolution under visible light, amorphous TiO 2 hardly exhibits the catalytic activity due to high defect density, whereas Ag/TiO 2 -3 represents a remarkably high catalytic efficiency. The enhancement mechanism of the reaction rate is proposed by the analysis of the compositional, structural, and optical properties from a series of Ag/TiO 2 composites.

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...

Annealing behavior of high permeability amorphous alloys

International Nuclear Information System (INIS)

Rabenberg, L.

1980-06-01

Effects of low temperature annealing on the magnetic properties of the amorphous alloy Co 71 4 Fe 4 6 Si 9 6 B 14 4 were investigated. Annealing this alloy below 400 0 C results in magnetic hardening; annealing above 400 0 C but below the crystallization temperature results in magnetic softening. Above the crystallization temperature the alloy hardens drastically and irreversibly. Conventional and high resolution transmission electron microscopy were used to show that the magnetic property changes at low temperatures occur while the alloy is truly amorphous. By imaging the magnetic microstructures, Lorentz electron microscopy has been able to detect the presence of microscopic inhomogeneities in this alloy. The low temperature annealing behavior of this alloy has been explained in terms of atomic pair ordering in the presence of the internal molecular field. Lorentz electron microscopy has been used to confirm this explanation

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

Improving Arctic Sea Ice Edge Forecasts by Assimilating High Horizontal Resolution Sea Ice Concentration Data into the US Navy’s Ice Forecast Systems

Science.gov (United States)

2016-06-13

1735-2015 © Author(s) 2015. CC Attribution 3.0 License. Improving Arctic sea ice edge forecasts by assimilating high horizontal resolution sea ice...concentration data into the US Navy’s ice forecast systems P. G. Posey1, E. J. Metzger1, A. J. Wallcraft1, D. A. Hebert1, R. A. Allard1, O. M. Smedstad2...error within the US Navy’s operational sea ice forecast systems gained by assimilating high horizontal resolution satellite-derived ice concentration

Study on applicability of highly corrosion-resistant amorphous coating techniques to components of reprocessing plant

International Nuclear Information System (INIS)

Ebata, Makoto; Okuyama, Gen; Chiba, Shigeru; Matsunaga, Tsunebumi

1991-01-01

In view of the growing need for prolongation of lives of reprocessing plant installations, we recently investigated the applicability of highly corrosion-resistant amorphous coating techniques to such plant components as to be subjected to a badly corrosive environment created by high temperatures, boiling nitric acid (HNO 3 ), etc. As the result, giving a preference to the Ta-based amorphous alloys exhibiting high corrosion-resistance in HNO 3 solutions, we made specimens of stainless steel plates coated with the above amorphous alloys through the sputtering process thereof. To our satisfaction, these specimens successfully passed various HNO 3 corrosion tests as described later on. Ta-based amorphous films give cathodic protection to 310 Nb stainless steel plates, and that with extremely low corrosion rates of themselves as protecting agents. For these reasons, we are confident that there will be no practical problems at all, in case we adopt stainless steel plates partially coated with such amorphous alloys for use in a nitric-acid environment. In this paper, we explain the comparative tests for various amorphous alloys with different compositions, referring also to the thus-selected Ta-based amorphous alloy along with several kinds of corrosion tests specially arranged for the same alloy. (author)

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.

High pressure ices are not the end of the story for large icy moons habitability: experimental studies of salts effects on high pressure ices and the implications for icy worlds large hydrosphere structure and chemical evolution

Science.gov (United States)

Journaux, Baptiste; Abramson, Evan; Brown, J. Michael; Bollengier, Olivier

2017-10-01

The presence of several phases of deep high-pressure ices in large icy moons hydrosphere has often been pointed as a major limitation for the habitability of an uppermost ocean. As they are gravitationally stable bellow liquid H2O, they are thought to act as a chemical barrier between the rocky bed and the ocean. Solutes, including salt species such as NaCl and MgSO4, have been suggested inside icy world oceans from remote sensing, magnetic field measurements and chondritic material alteration models. Unfortunately, the pressures and temperatures inside these hydrospheres are very different from the one found in Earth aqueous environments, so most of our current thermodynamic databases do not cover the range of conditions relevant for modeling realistically large icy worlds interiors.Recent experimental results have shown that the presence of solutes, and more particularly salts, in equilibrium with high pressure ices have large effects on the stability, buoyancy and chemistry of all the phases present at these extreme conditions.In particular brines have been measured to be sometimes more dense than the high pressure ices at melting conditions, possibly creating several oceanic layer "sandwiched" in between two ices shells or in contact with the rocky bed.Other effects currently being investigated by our research group also covers ice melting curve depressions that depend on the salt species and incorporation of solutes inside the crystallographic lattice of high pressure ices. Both of these could have very important implication at the planetary scale, enabling thicker/deeper liquid oceans, and allowing chemical transportation through the high pressure ice layer in large icy worlds.We will present the latest results obtained in-situ using diamond anvil cell high pressure allowing to probe the density, chemistry and thermodynamic properties of high pressure ice and aqueous solutions in equilibrium with Na-Mg-SO4-Cl ionic species.We will also discuss the new

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).

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%.

Unidirectional threshold switching in Ag/Si-based electrochemical metallization cells for high-density bipolar RRAM applications

Science.gov (United States)

Wang, Chao; Song, Bing; Li, Qingjiang; Zeng, Zhongming

2018-03-01

We herein present a novel unidirectional threshold selector for cross-point bipolar RRAM array. The proposed Ag/amorphous Si based threshold selector showed excellent threshold characteristics in positive field, such as high selectivity ( 105), steep slope (type RRAM. By integrating a bipolar RRAM device with the selector, experiments showed that the undesired sneak was significantly suppressed, indicating its potentiality for high-density integrated nonvolatile memory applications.

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

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 .

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)

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)

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

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)

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

Energy Technology Data Exchange (ETDEWEB)

Ueta, S.; Sasaki, T., E-mail: ueta@geo.titech.ac.jp, E-mail: takanori@geo.titech.ac.jp [Earth and Planetary Sciences, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 152-8551 (Japan)

2013-10-01

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

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...

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.

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

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)

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.

Amorphous and nanocrystalline phase formation in highly-driven Al-based binary alloys

Energy Technology Data Exchange (ETDEWEB)

Kalay, Yunus Eren [Iowa State Univ., Ames, IA (United States)

2009-01-01

each other. This deviation indicates an adiabatic type solidification path where heat of fusion is reabsorbed. It is interesting that this particle size range is also consistent with the appearance of a microcellular growth. While no glass formation is observed within this system, the smallest size powders appear to consist of a mixture of nanocrystalline Si and Al. Al-Sm alloys have been investigated within a composition range of 34 to 42 wt% Sm. Gas atomized powders of Al-Sm are investigated to explore the morphological and structural hierarchy that correlates with different degrees of departure from full equilibrium conditions. The resultant powders show a variety of structural selection with respect to amount of undercooling, with an amorphous structure appearing at the highest cooling rates. Because of the chaotic nature of gas atomization, Cu-block melt-spinning is used to produce a homogeneous amorphous structure. The as-quenched structure within Al-34 to 42 wt% Sm consists of nanocrystalline fcc-Al (on the order of 5 nm) embedded in an amorphous matrix. The nucleation density of fcc-Al after initial crystallization is on the order of 10²²-10²³m^-3, which is 10⁵-10⁶ orders of magnitude higher than what classical nucleation theory predicts. Detailed analysis of liquid and as-quenched structures using high energy synchrotron X-ray diffraction, high energy transmission electron microscopy, and atom probe tomography techniques revealed an Al-Sm network similar in appearance to a medium range order (MRO) structure. A model whereby these MRO clusters promote the observed high nucleation density of fcc-Al nanocrystals is proposed. The devitrification path was identified using high temperature, in-situ, high energy synchrotron X-ray diffraction techniques and the crystallization kinetics were described using an analytical Johnson-Mehl-Avrami (JMA) approach.

Improving co-amorphous drug formulations by the addition of the highly water soluble amino acid proline

DEFF Research Database (Denmark)

Jensen, Katrine Birgitte Tarp; Löbmann, Korbinian; Rades, Thomas

2014-01-01

Co-amorphous drug amino acid mixtures were previously shown to be a promising approach to create physically stable amorphous systems with the improved dissolution properties of poorly water-soluble drugs. The aim of this work was to expand the co-amorphous drug amino acid mixture approach...... by combining the model drug, naproxen (NAP), with an amino acid to physically stabilize the co-amorphous system (tryptophan, TRP, or arginine, ARG) and a second highly soluble amino acid (proline, PRO) for an additional improvement of the dissolution rate. Co-amorphous drug-amino acid blends were prepared...... the molecular interactions in the form of hydrogen bonds between all three components in the mixture. A salt formation between the acidic drug, NAP, and the basic amino acid, ARG, was found in co-amorphous NAP–ARG. In comparison to crystalline NAP, binary NAP–TRP and NAP–ARG, it could be shown that the highly...

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

Evaluation of the astrophysical origin of a vertical high-energy neutrino event in IceCube using IceTop information

Energy Technology Data Exchange (ETDEWEB)

Stahlberg, Martin; Auffenberg, Jan; Rongen, Martin; Kemp, Julian; Hansmann, Bengt; Schaufel, Merlin; Wiebusch, Christopher [RWTH Aachen, III. Physikalisches Institut B, Otto-Blumenthal-Strasse, 52074 Aachen (Germany); Collaboration: IceCube-Collaboration

2015-07-01

A main goal of the IceCube neutrino observatory is the detection of high-energy astrophysical neutrinos. IceCube's surface detector component IceTop is an array of 81 stations comprised of two Cherenkov-light detecting tanks, each of which is filled with clear ice and contains two photomultiplier modules. IceTop allows for the detection of cosmic-ray induced air-showers above energies of a few 100 TeV. In addition, the atmospheric origin of neutrino events detected with IceCube can be verified by the observation of a coincident air-shower component on the surface with IceTop. In 2014, a vertically down-going high-energy muon neutrino event starting in IceCube has been observed. The astrophysical origin of this event is tested by a close examination of the IceTop data. The outcome of this analysis is used to assess the potential of the proposed IceTop extension, IceVeto, which further increases the geometrical acceptance of the surface detector.

Minor-Cu doped soft magnetic Fe-based FeCoBCSiCu amorphous alloys with high saturation magnetization

Science.gov (United States)

Li, Yanhui; Wang, Zhenmin; Zhang, Wei

2018-05-01

The effects of Cu alloying on the amorphous-forming ability (AFA) and magnetic properties of the P-free Fe81Co5B11C2Si1 amorphous alloy were investigated. Addition of ≤ 1.0 at.% Cu enhances the AFA of the base alloy without significant deterioration of the soft magnetic properties. The Fe80.5Co5B11C2Si1Cu0.5 alloy with the largest critical thickness for amorphous formation of ˜35 μm possesses a high saturation magnetization (Bs) of ˜1.78 T, low coercivity of ˜14.6 A/m, and good bending ductility upon annealing in a wide temperature range of 513-553 K with maintaining the amorphous state. The fabrication of the new high-Fe-content Fe-Co-B-C-Si-Cu amorphous alloys by minor doping of Cu gives a guideline to developing high Bs amorphous alloys with excellent AFA.

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

Inverse stochastic-dynamic models for high-resolution Greenland ice core records

DEFF Research Database (Denmark)

Boers, Niklas; Chekroun, Mickael D.; Liu, Honghu

2017-01-01

as statistical properties such as probability density functions, waiting times and power spectra, with no need for any external forcing. The crucial ingredients for capturing these properties are (i) high-resolution training data, (ii) cubic drift terms, (iii) nonlinear coupling terms between the 18O and dust......Proxy records from Greenland ice cores have been studied for several decades, yet many open questions remain regarding the climate variability encoded therein. Here, we use a Bayesian framework for inferring inverse, stochastic-dynamic models from 18O and dust records of unprecedented, subdecadal...

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.

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...

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....

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.

FY1995 study of high density near-contact magnetic recording using spin valve head; 1995 nendo spin valve head ni yoru chokomitsudo near contact jiki kiroku no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

Development of high performance spin valves formed by amorphous magnetic layer and head-medium interface with nano-thickness molecular film for realizing an ultra-high density of 20 Gbit/in{sup 2} using contact recording. The giant magnetoresistance effect was investigated for spin valves using very thin amorphous magnetic layer. In amorphous-CoFeB/Cu/ Co spin valves, the maximum MR ratio of 6% was achieved at the thickness of the amorphous layer of 2 nm. The spin valves with the amorphous layer exhibit very good thermal stability. Design guideline for molecularly thin lubricant was established using newly derived lubrication equation considering lubricant porosity. Novel method for accurately measuring surface force due to molecularly thin lubricant was developed by using Michelson interferometry to detect cantilever displacement, which enabled two-dimensional transient force measurement. (NEDO)

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

Inverse stochastic–dynamic models for high-resolution Greenland ice core records

Directory of Open Access Journals (Sweden)

N. Boers

2017-12-01

Full Text Available Proxy records from Greenland ice cores have been studied for several decades, yet many open questions remain regarding the climate variability encoded therein. Here, we use a Bayesian framework for inferring inverse, stochastic–dynamic models from δ18O and dust records of unprecedented, subdecadal temporal resolution. The records stem from the North Greenland Ice Core Project (NGRIP, and we focus on the time interval 59–22 ka b2k. Our model reproduces the dynamical characteristics of both the δ18O and dust proxy records, including the millennial-scale Dansgaard–Oeschger variability, as well as statistical properties such as probability density functions, waiting times and power spectra, with no need for any external forcing. The crucial ingredients for capturing these properties are (i high-resolution training data, (ii cubic drift terms, (iii nonlinear coupling terms between the δ18O and dust time series, and (iv non-Markovian contributions that represent short-term memory effects.

Inverse stochastic-dynamic models for high-resolution Greenland ice core records

Science.gov (United States)

Boers, Niklas; Chekroun, Mickael D.; Liu, Honghu; Kondrashov, Dmitri; Rousseau, Denis-Didier; Svensson, Anders; Bigler, Matthias; Ghil, Michael

2017-12-01

Proxy records from Greenland ice cores have been studied for several decades, yet many open questions remain regarding the climate variability encoded therein. Here, we use a Bayesian framework for inferring inverse, stochastic-dynamic models from δ18O and dust records of unprecedented, subdecadal temporal resolution. The records stem from the North Greenland Ice Core Project (NGRIP), and we focus on the time interval 59-22 ka b2k. Our model reproduces the dynamical characteristics of both the δ18O and dust proxy records, including the millennial-scale Dansgaard-Oeschger variability, as well as statistical properties such as probability density functions, waiting times and power spectra, with no need for any external forcing. The crucial ingredients for capturing these properties are (i) high-resolution training data, (ii) cubic drift terms, (iii) nonlinear coupling terms between the δ18O and dust time series, and (iv) non-Markovian contributions that represent short-term memory effects.

Amorphous silica in ultra-high performance concrete: First hour of hydration

Energy Technology Data Exchange (ETDEWEB)

Oertel, Tina, E-mail: tina.oertel@isc.fraunhofer.de [Fraunhofer-Institute for Silicate Research ISC, Neunerplatz 2, 97082 Würzburg (Germany); Chair for Inorganic Chemistry I, Universität Bayreuth, Universitätsstr. 30, 95440 Bayreuth (Germany); Hutter, Frank [Fraunhofer-Institute for Silicate Research ISC, Neunerplatz 2, 97082 Würzburg (Germany); Helbig, Uta, E-mail: uta.helbig@th-nuernberg.de [Chair for Crystallography and X-ray Methods, Technische Hochschule Nürnberg Georg Simon Ohm, Wassertorstraße 10, 90489 Nürnberg (Germany); Sextl, Gerhard [Fraunhofer-Institute for Silicate Research ISC, Neunerplatz 2, 97082 Würzburg (Germany); Chair for Chemical Technology of Advanced Materials, Julius Maximilian Universität, Röntgenring 11, 97070 Würzburg (Germany)

2014-04-01

Amorphous silica in the sub-micrometer size range is widely used to accelerate cement hydration. Investigations including properties of silica which differ from the specific surface area are rare. In this study, the reactivity of varying types of silica was evaluated based on their specific surface area, surface silanol group density, content of silanol groups and solubility in an alkaline suspension. Pyrogenic silica, silica fume and silica synthesized by hydrolysis and condensation of alkoxy silanes, so-called Stoeber particles, were employed. Influences of the silica within the first hour were further examined in pastes with water/cement ratios of 0.23 using in-situ X-ray diffraction, cryo scanning electron microscopy and pore solution analysis. It was shown that Stoeber particles change the composition of the pore solution. Na{sup +}, K{sup +}, Ca{sup 2+} and silicate ions seem to react to oligomers. The extent of this reaction might be highest for Stoeber particles due to their high reactivity.

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

Crystalline-Amorphous Core−Shell Silicon Nanowires for High Capacity and High Current Battery Electrodes

KAUST Repository

Cui, Li-Feng

2009-01-14

Silicon is an attractive alloy-type anode material for lithium ion batteries because of its highest known capacity (4200 mAh/g). However silicon\\'s large volume change upon lithium insertion and extraction, which causes pulverization and capacity fading, has limited its applications. Designing nanoscale hierarchical structures is a novel approach to address the issues associated with the large volume changes. In this letter, we introduce a core-shell design of silicon nanowires for highpower and long-life lithium battery electrodes. Silicon crystalline- amorphous core-shell nanowires were grown directly on stainless steel current collectors by a simple one-step synthesis. Amorphous Si shells instead of crystalline Si cores can be selected to be electrochemically active due to the difference of their lithiation potentials. Therefore, crystalline Si cores function as a stable mechanical support and an efficient electrical conducting pathway while amorphous shells store Li ions. We demonstrate here that these core-shell nanowires have high charge storage capacity (̃1000 mAh/g, 3 times of carbon) with ̃90% capacity retention over 100 cycles. They also show excellent electrochemical performance at high rate charging and discharging (6.8 A/g, ̃20 times of carbon at 1 h rate). © 2009 American Chemical Society.

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.

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.

High Density Silver Nanowire Arrays using Self-ordered Anodic Aluminum Oxide (AAO) Membrane

OpenAIRE

Han, Young-Hwan

2008-01-01

High density silver nanowire arrays were synthesized through the self-ordered Anodic Aluminum Oxide (AAO) template. The pore size in the AAO membrane was confirmed by processing the widening porosity with a honeycomb structure with cross sections of 20nm, 50nm, and 100nm, by SEM. Pore numbers by unit area were consistent; only pore size changed. The synthesized silver nanowire, which was crystallized, was dense in the cross sections of the amorphous AAO membrane. The synthesized silver nanowi...

Amorphous Cu-Ag films with high stability

International Nuclear Information System (INIS)

Reda, I.M.; Hafner, J.; Pongratz, P.; Wagendristel, A.; Bangert, H.; Bhat, P.K.

1982-06-01

Films produced by quenching Cu-Ag vapour onto cooled substrates at liquid nitrogen temperature have been investigated using electron microscopy, electron diffraction and electrical resistivity measurements. In the composition range from 30 to 70 at% Cu the as quenched films are amorphous, and within the range of 35 to 63 at% Cu the amorphous phase is stable above room temperature with a maximum crystallization temperature Tsub(c)=381 K at 47.5 at% Cu. Crystallization results in the formation of a supersaturated fcc solid solution which decomposes in a second crystallization step. The effect of deposition rate, film thickness, temperature and surface of the substrate, and most importantly of the composition on the transition temperatures has been investigated. A comparative study of the formation of amorphous phases in a wide variety of Cu-based alloys is presented. (author)

ACBC to Balcite: Bioinspired Synthesis of a Highly Substituted High-Temperature Phase from an Amorphous Precursor

Energy Technology Data Exchange (ETDEWEB)

Whittaker, Michael L.; Joester, Derk (NWU)

2017-04-28

Energy-efficient synthesis of materials locked in compositional and structural states far from equilibrium remains a challenging goal, yet biomineralizing organisms routinely assemble such materials with sophisticated designs and advanced functional properties, often using amorphous precursors. However, incorporation of organics limits the useful temperature range of these materials. Herein, the bioinspired synthesis of a highly supersaturated calcite (Ca0.5Ba0.5CO3) called balcite is reported, at mild conditions and using an amorphous calcium–barium carbonate (ACBC) (Ca1- x Ba x CO3·1.2H2O) precursor. Balcite not only contains 50 times more barium than the solubility limit in calcite but also displays the rotational disorder on carbonate sites that is typical for high-temperature calcite. It is significantly harder (30%) and less stiff than calcite, and retains these properties after heating to elevated temperatures. Analysis of balcite local order suggests that it may require the formation of the ACBC precursor and could therefore be an example of nonclassical nucleation. These findings demonstrate that amorphous precursor pathways are powerfully enabling and provide unprecedented access to materials far from equilibrium, including high-temperature modifications by room-temperature synthesis.

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...

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.

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 carbon nitride films produced by high-energy shock plasma deposition

International Nuclear Information System (INIS)

Bursilll, L.A.; Peng, Julin; Gurarie, V.N.; Orlov, A.V.; Prawer, S.

1995-01-01

High-energy shock plasma deposition techniques are used to produce carbon-nitride films containing both crystalline and amorphous components. The structures are examined by high-resolution transmission electron microscopy, parallel-electron-energy loss spectroscopy and electron diffraction. The crystalline phase appears to be face-centered cubic with unit cell parameter approx. a=0.63nm and it may be stabilized by calcium and oxygen at about 1-2 at % levels. The carbon atoms appear to have both trigonal and tetrahedral bonding for the crystalline phase. There is PEELS evidence that a significant fraction of the nitrogen atoms have sp 2 trigonal bonds in the crystalline phase. The amorphous carbon-nitride film component varies from essentially graphite, containing virtually no nitrogen, to amorphous carbon-nitride containing up to 10 at % N, where the fraction of sp 3 bonds is significant. 15 refs., 5 figs

The implementation of sea ice model on a regional high-resolution scale

Science.gov (United States)

Prasad, Siva; Zakharov, Igor; Bobby, Pradeep; McGuire, Peter

2015-09-01

The availability of high-resolution atmospheric/ocean forecast models, satellite data and access to high-performance computing clusters have provided capability to build high-resolution models for regional ice condition simulation. The paper describes the implementation of the Los Alamos sea ice model (CICE) on a regional scale at high resolution. The advantage of the model is its ability to include oceanographic parameters (e.g., currents) to provide accurate results. The sea ice simulation was performed over Baffin Bay and the Labrador Sea to retrieve important parameters such as ice concentration, thickness, ridging, and drift. Two different forcing models, one with low resolution and another with a high resolution, were used for the estimation of sensitivity of model results. Sea ice behavior over 7 years was simulated to analyze ice formation, melting, and conditions in the region. Validation was based on comparing model results with remote sensing data. The simulated ice concentration correlated well with Advanced Microwave Scanning Radiometer for EOS (AMSR-E) and Ocean and Sea Ice Satellite Application Facility (OSI-SAF) data. Visual comparison of ice thickness trends estimated from the Soil Moisture and Ocean Salinity satellite (SMOS) agreed with the simulation for year 2010-2011.

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

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

In situ atomic layer nitridation on the top and down regions of the amorphous and crystalline high-K gate dielectrics

Energy Technology Data Exchange (ETDEWEB)

Tsai, Meng-Chen [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Lee, Min-Hung [Institute of Electro-Optical Science and Technology, National Taiwan Normal University, Taipei 11677, Taiwan (China); Kuo, Chin-Lung; Lin, Hsin-Chih [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Chen, Miin-Jang, E-mail: mjchen@ntu.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

2016-11-30

Highlights: • The structural and electrical characteristics of the ZrO{sub 2} high-K dielectrics, treated with the in situ atomic layer doping of nitrogen into the top and down regions (top and down nitridation, TN and DN, respectively), were investigated. • The amorphous DN sample has a lower leakage current density (J{sub g}) than the amorphous TN sample, attributed to the formation of SiO{sub x}N{sub y} in the interfacial layer (IL). • The crystalline TN sample exhibited a lower CET and a similar J{sub g} as compared with the crystalline DN sample, which can be ascribed to the suppression of IL regrowth. • The crystalline ZrO{sub 2} with in situ atomic layer doping of nitrogen into the top region exhibited superior scaling limit, electrical characteristics, and reliability. - Abstract: Amorphous and crystalline ZrO{sub 2} gate dielectrics treated with in situ atomic layer nitridation on the top and down regions (top and down nitridation, abbreviated as TN and DN) were investigated. In a comparison between the as-deposited amorphous DN and TN samples, the DN sample has a lower leakage current density (J{sub g}) of ∼7 × 10{sup −4} A/cm{sup 2} with a similar capacitance equivalent thickness (CET) of ∼1.53 nm, attributed to the formation of SiO{sub x}N{sub y} in the interfacial layer (IL). The post-metallization annealing (PMA) leads to the transformation of ZrO{sub 2} from the amorphous to the crystalline tetragonal/cubic phase, resulting in an increment of the dielectric constant. The PMA-treated TN sample exhibits a lower CET of 1.22 nm along with a similar J{sub g} of ∼1.4 × 10{sup −5} A/cm{sup 2} as compared with the PMA-treated DN sample, which can be ascribed to the suppression of IL regrowth. The result reveals that the nitrogen engineering in the top and down regions has a significant impact on the electrical characteristics of amorphous and crystalline ZrO{sub 2} gate dielectrics, and the nitrogen incorporation at the top of crystalline

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...

High-throughput identification of higher-κ dielectrics from an amorphous N2-doped HfO2–TiO2 library

International Nuclear Information System (INIS)

Chang, K.-S.; Lu, W.-C.; Wu, C.-Y.; Feng, H.-C.

2014-01-01

Highlights: • Amorphous N 2 -doped HfO 2 –TiO 2 libraries were fabricated using sputtering. • Structure and quality of the dielectric and interfacial layers were investigated. • κ (54), J L < 10 −6 A/cm 2 , and equivalent oxide thickness (1 nm) were identified. - Abstract: High-throughput sputtering was used to fabricate high-quality, amorphous, thin HfO 2 –TiO 2 and N 2 -doped HfO 2 –TiO 2 (HfON–TiON) gate dielectric libraries. Electron probe energy dispersive spectroscopy was used to investigate the structures, compositions, and qualities of the dielectric and interfacial layers of these libraries to determine their electrical properties. A κ value of approximately 54, a leakage current density <10 −6 A/cm 2 , and an equivalent oxide thickness of approximately 1 nm were identified in an HfON–TiON library within a composition range of 68–80 at.% Ti. This library exhibits promise for application in highly advanced metal–oxide–semiconductor (higher-κ) gate stacks

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.

Development of a high-density nonwoven structure to improve the stab resistance of protective clothing material.

Science.gov (United States)

Bao, Limin; Wang, Yanling; Baba, Takeichiro; Fukuda, Yasuhiro; Wakatsuki, Kaoru; Morikawa, Hideaki

2017-12-07

The purpose of this research was to enhance the stab resistance of protective clothing material by developing a new high-density nonwoven structure. Ice picks often injure Japanese police officers due to the strict regulation of swords in the country. Consequently, this study was designed to improve stab resistance against ice picks. Most existing anti-stab protective clothing research has focused on various fabrics impregnated with resin, an approach that brings with it problems of high cost and complicated processing. Seldom has research addressed the potential for improving stab resistance by using nonwoven structures, which exhibit better stab resistance than fabric. In this research, we prepared a series of nonwoven structures with densities ranging from about 0.14 g/cm 3 to 0.46 g/cm 3 by varying the number of stacked layers of Kevlar/polyester nonwoven under a hot press. We then proposed two methods for producing such hot-press nonwovens: the multilayer hot-press method and the monolayer hot-press method. Stab resistance was evaluated according to NIJ Standard-0115.00. We also investigated the relationship among nonwoven density, stab resistance, and flexural rigidity, and here we discuss the respective properties of the two proposed methods. Our results show that stab resistance and flexural rigidity increase with nonwoven density, but flexural rigidity of nonwovens prepared using the monolayer hot-press method only shows a slight change as nonwoven density increases. Though the two methods exhibit little difference in maximum load, the flexural rigidity of nonwovens prepared using the monolayer hot-press method is much lower, which contributes to superior wear comfort. Finally, we investigated the mechanism behind the stabbing process. Stabbing with an ice pick is a complicated process that involves many factors. Our findings indicate that nonwovens stop penetration primarily in two ways: nonwoven deformation and fiber fractures.

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

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.

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

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.

Growth Mechanism and Origin of High s p3 Content in Tetrahedral Amorphous Carbon

Science.gov (United States)

Caro, Miguel A.; Deringer, Volker L.; Koskinen, Jari; Laurila, Tomi; Csányi, Gábor

2018-04-01

We study the deposition of tetrahedral amorphous carbon (ta-C) films from molecular dynamics simulations based on a machine-learned interatomic potential trained from density-functional theory data. For the first time, the high s p3 fractions in excess of 85% observed experimentally are reproduced by means of computational simulation, and the deposition energy dependence of the film's characteristics is also accurately described. High confidence in the potential and direct access to the atomic interactions allow us to infer the microscopic growth mechanism in this material. While the widespread view is that ta-C grows by "subplantation," we show that the so-called "peening" model is actually the dominant mechanism responsible for the high s p3 content. We show that pressure waves lead to bond rearrangement away from the impact site of the incident ion, and high s p3 fractions arise from a delicate balance of transitions between three- and fourfold coordinated carbon atoms. These results open the door for a microscopic understanding of carbon nanostructure formation with an unprecedented level of predictive power.

Salt partitioning between water and high-pressure ices. Implication for the dynamics and habitability of icy moons and water-rich planetary bodies

Science.gov (United States)

Journaux, Baptiste; Daniel, Isabelle; Petitgirard, Sylvain; Cardon, Hervé; Perrillat, Jean-Philippe; Caracas, Razvan; Mezouar, Mohamed

2017-04-01

Water-rich planetary bodies including large icy moons and ocean exoplanets may host a deep liquid water ocean underlying a high-pressure icy mantle. The latter is often considered as a limitation to the habitability of the uppermost ocean because it would limit the availability of nutrients resulting from the hydrothermal alteration of the silicate mantle located beneath the deep ice layer. To assess the effects of salts on the physical properties of high-pressure ices and therefore the possible chemical exchanges and habitability inside H2O-rich planetary bodies, we measured partitioning coefficients and densities in the H2O-RbI system up to 450 K and 4 GPa; RbI standing as an experimentally amenable analog of NaCl in the H2O-salt solutions. We measured the partitioning coefficient of RbI between the aqueous fluid and ices VI and VII, using in-situ Synchrotron X-ray Fluorescence (XRF). With in-situ X-ray diffraction, we measured the unit-cell parameters and the densities of the high-pressure ice phases in equilibrium with the aqueous fluid, at pressures and temperatures relevant to the interior of planetary bodies. We conclude that RbI is strongly incompatible towards ice VI with a partitioning coefficient Kd(VI-L) = 5.0 (± 2.1) ṡ10-3 and moderately incompatible towards ice VII, Kd(VII-L) = 0.12 (± 0.05). RbI significantly increases the unit-cell volume of ice VI and VII by ca. 1%. This implies that RbI-poor ice VI is buoyant compared to H2O ice VI while RbI-enriched ice VII is denser than H2O ice VII. These new experimental results might profoundly impact the internal dynamics of water-rich planetary bodies. For instance, an icy mantle at moderate conditions of pressure and temperature will consist of buoyant ice VI with low concentration of salt, and would likely induce an upwelling current of solutes towards the above liquid ocean. In contrast, a deep and/or thick icy mantle of ice VII will be enriched in salt and hence would form a stable chemical boundary

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

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

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.

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.

High-performance all-printed amorphous oxide FETs and logics with electronically compatible electrode/ channel interface.

Science.gov (United States)

Sharma, Bhupendra Kumar; Stoesser, Anna; Mondal, Sandeep Kumar; Garlapati, Suresh K; Fawey, Mohammed H; Chakravadhanula, Venkata Sai Kiran; Kruk, Robert; Hahn, Horst; Dasgupta, Subho

2018-06-12

Oxide semiconductors typically show superior device performance compared to amorphous silicon or organic counterparts, especially, when they are physical vapor deposited. However, it is not easy to reproduce identical device characteristics when the oxide field-effect transistors (FETs) are solution-processed/ printed; the level of complexity further intensifies with the need to print the passive elements as well. Here, we developed a protocol for designing the most electronically compatible electrode/ channel interface based on the judicious material selection. Exploiting this newly developed fabrication schemes, we are now able to demonstrate high-performance all-printed FETs and logic circuits using amorphous indium-gallium-zinc oxide (a-IGZO) semiconductor, indium tin oxide (ITO) as electrodes and composite solid polymer electrolyte as the gate insulator. Interestingly, all-printed FETs demonstrate an optimal electrical performance in terms of threshold voltages and device mobility and may very well be compared with devices fabricated using sputtered ITO electrodes. This observation originates from the selection of electrode/ channel materials from the same transparent semiconductor oxide family, resulting in the formation of In-Sn-Zn-O (ITZO) based diffused a-IGZO/ ITO interface that controls doping density while ensuring high electrical performance. Compressive spectroscopic studies reveal that Sn doping mediated excellent band alignment of IGZO with ITO electrodes is responsible for the excellent device performance observed. All-printed n-MOS based logic circuits have also been demonstrated towards new-generation portable electronics.

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)

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.)

A comparative study on the direct deposition of μc-Si:H and plasma-induced recrystallization of a-Si:H: Insight into Si crystallization in a high-density plasma

Science.gov (United States)

Zhou, H. P.; Xu, M.; Xu, S.; Feng, Y. Y.; Xu, L. X.; Wei, D. Y.; Xiao, S. Q.

2018-03-01

Deep insight into the crystallization mechanism of amorphous silicon is of theoretical and technological significance for the preparation of high-quality microcrystalline/polycrystalline silicon. In this work, we intensively compare the present two plasma-involved routes, i.e., the direct deposition and recrystallization of precursor amorphous silicon (a-Si) films, to fabricate microcrystalline silicon. Both the directly deposited and recrystallized samples show multi-layered structures as revealed by electronic microscopy. High-density hydrogen plasma involved recrystallization process, which is mediated by the hydrogen diffusion into the deep region of the precursor a-Si film, displays significantly different nucleation configuration, interface properties, and crystallite shape. The underlying mechanisms are analyzed in combination with the interplay of high-density plasma and growing or treated surface.

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.

Stabilized amorphous glibenclamide nanoparticles by high-gravity technique

International Nuclear Information System (INIS)

Yu Lei; Li Caixia; Le Yuan; Chen Jianfeng; Zou Haikui

2011-01-01

Highlights: · Amorphous glibenclamide nanoparticles of 220 nm are obtained using the high-gravity technique. · The dissolution rate of these nanoparticles achieves 85% in 5 min, while those of the raw glibenclamide and the commercial glibenclamide tablet only reach 35% and 55% respectively during the same period. · The morphology, particle size, crystalline form and dissolution rate of these nanoparticles almost remain constant after keeping more than 70 days. - Abstract: The stable amorphous glibenclamide nanoparticles was obtained via anti-solvent precipitation using the high-gravity technique in this study. The effects of operating variables on the particle size were investigated. The properties of glibenclamide nanoparticles were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC) and dissolution test. The prepared glibenclamide nanoparticles had a mean size of 220 nm within a narrow distribution. The dissolution rate of glibenclamide nanoparticles was obviously faster than that of the raw glibenclamide or the commercial glibenclamide tablet. It achieved 85% in 5 min, while those of the raw glibenclamide and the commercial glibenclamide tablet achieved 35% and 55% respectively during the same period. The physical stability of the nanoparticles was tested after storing for more than 70 days at room conditions. Their morphology, particle size, crystalline form and dissolution rate almost remained constant during storage.

Formation of soft magnetic high entropy amorphous alloys composites containing in situ solid solution phase

Science.gov (United States)

Wei, Ran; Sun, Huan; Chen, Chen; Tao, Juan; Li, Fushan

2018-03-01

Fe-Co-Ni-Si-B high entropy amorphous alloys composites (HEAACs), which containing high entropy solid solution phase in amorphous matrix, show good soft magnetic properties and bending ductility even in optimal annealed state, were successfully developed by melt spinning method. The crystallization phase of the HEAACs is solid solution phase with body centered cubic (BCC) structure instead of brittle intermetallic phase. In addition, the BCC phase can transformed into face centered cubic (FCC) phase with temperature rise. Accordingly, Fe-Co-Ni-Si-B high entropy alloys (HEAs) with FCC structure and a small amount of BCC phase was prepared by copper mold casting method. The HEAs exhibit high yield strength (about 1200 MPa) and good plastic strain (about 18%). Meanwhile, soft magnetic characteristics of the HEAs are largely reserved from HEAACs. This work provides a new strategy to overcome the annealing induced brittleness of amorphous alloys and design new advanced materials with excellent comprehensive properties.

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

Facile fabrication of CNTs@C@MoSe2@Se hybrids with amorphous structure for high performance anode in lithium-ion batteries.

Science.gov (United States)

Jin, Rencheng; Cui, Yuming; Wang, Qingyao; Li, Guihua

2017-12-15

Amorphous MoSe 2 and Se anchored on amorphous carbon coated multiwalled carbon nanotubes (CNTs@C@MoSe 2 @Se) have been synthesized by a facile solvothermal strategy. The one dimensional CNTs@C@MoSe 2 @Se can effectively buffer the volume variation, prohibit the aggregation and facilitate electron and ion transport throughout the electrode. Furthermore, the combination of MoSe 2 and Se also provides buffer spaces for the volumetric change during cycling. Thus, the obtained CNTs@C@MoSe 2 @Se hybrids display the enhanced cycle stability and excellent high rate capacity. The reversible capacity of 1010mAhg -1 can be achieved after 100 cycles at the current density of 0.1Ag -1 . Even after 500 cycles, a reversible capacity of 508mAhg -1 is still retained at 5Ag -1 . Copyright © 2017 Elsevier Inc. All rights reserved.

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...

Ice nuclei measurements at a high altitude remote station in the Northern Apennines

Science.gov (United States)

Schrod, Jann; Bingemer, Heinz; Haunold, Werner; Curtius, Joachim; Decesari, Stefano; Marinoni, Angela; Rinaldi, Matteo; Bonasoni, Paolo; Cristofanelli, Paolo

2013-04-01

During a field campaign of the PEGASOS (Pan-European Gas-AeroSOls-climate interactions Study, http://pegasos.iceht.forth.gr/) project in June 2012 we have made daily ice nucleus measurements on top of the Monte Cimone (44.18° N, 10.70° E, 2165 m asl) in the Northern Apennines at the "O. Vittori" Climate Observatory. Samples were taken at this GAW-WMO Global Station in a six hour rhythm (4 a.m., 10 a.m., 4 p.m. and 10 p.m.) and at increased frequency during specific events (e.g. dust transport episodes). Ice nuclei were measured by an offline technique. Aerosol particles of 40 liters of air were collected by electrostatic precipitation on a silicon substrate. Subsequently the ice nuclei were analyzed in the vacuum diffusion chamber FRIDGE [Klein et al. 2010] (FRankfurt Ice Nuclei Deposition FreezinG Experiment) by exposing the particles to supersaturation with respect to ice (106 % to 119 %) at -8 ° C, -13 ° C and -18 ° C. In our setup ice nuclei are activated in deposition and condensation freezing modes. A camera detects and counts ice crystals grown on ice nuclei. Every ice crystal counted is assumed to represent at least one ice nucleus. The mean IN concentration at Mt. Cimone was 60 IN per liter (at -18 ° C and 119% relative humility over ice), significantly higher than a longstanding mean at Mt. Kleiner Feldberg (30 IN/l), Germany for June. A mean active site density (IN per surface area of large aerosol particles) of 2.3 * 109 m-2 was calculated. The origin of the air masses sampled was established based on backward trajectories. With more than 100 IN/l on average (at -18° C and 119% relative humility over ice) the samples originating from North Africa were highest, and activated fractions were 4 to 20 times higher than for other transport sectors. An intensive event of dust transport was recorded by several instruments in the middle of June. At its peak in the morning of the 21st of June large aerosol surface and mass concentrations were observed by

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.

Conversion of nuclear waste to molten glass: Formation of porous amorphous alumina in a high-Al melter feed

Energy Technology Data Exchange (ETDEWEB)

Xu, Kai, E-mail: kaixu@whut.edu.cn [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Hrma, Pavel, E-mail: pavel.hrma@pnnl.gov [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Washton, Nancy; Schweiger, Michael J. [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Kruger, Albert A. [U.S. Department of Energy, Office of River Protection, Richland, WA 99352 (United States)

2017-01-15

The transition of Al phases in a simulated high-Al high-level nuclear waste melter feed heated at 5 K min{sup −1} to 700 °C was investigated with transmission electron microscopy, {sup 27}Al nuclear magnetic resonance spectroscopy, the Brunauer-Emmett-Teller method, and X-ray diffraction. At temperatures between 300 and 500 °C, porous amorphous alumina formed from the dehydration of gibbsite, resulting in increased specific surface area of the feed (∼8 m{sup 2} g{sup −1}). The high-surface-area amorphous alumina formed in this manner could potentially stop salt migration in the cold cap during nuclear waste vitrification. - Highlights: • Porous amorphous alumina formed in a simulated high-Al HLW melter feed during heating. • The feed had a high specific surface area at 300 °C ≤ T ≤ 500 °C. • Porous amorphous alumina induced increased specific surface area.

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.

High Arctic Holocene temperature record from the Agassiz ice cap and Greenland ice sheet evolution.

Science.gov (United States)

Lecavalier, Benoit S; Fisher, David A; Milne, Glenn A; Vinther, Bo M; Tarasov, Lev; Huybrechts, Philippe; Lacelle, Denis; Main, Brittany; Zheng, James; Bourgeois, Jocelyne; Dyke, Arthur S

2017-06-06

We present a revised and extended high Arctic air temperature reconstruction from a single proxy that spans the past ∼12,000 y (up to 2009 CE). Our reconstruction from the Agassiz ice cap (Ellesmere Island, Canada) indicates an earlier and warmer Holocene thermal maximum with early Holocene temperatures that are 4-5 °C warmer compared with a previous reconstruction, and regularly exceed contemporary values for a period of ∼3,000 y. Our results show that air temperatures in this region are now at their warmest in the past 6,800-7,800 y, and that the recent rate of temperature change is unprecedented over the entire Holocene. The warmer early Holocene inferred from the Agassiz ice core leads to an estimated ∼1 km of ice thinning in northwest Greenland during the early Holocene using the Camp Century ice core. Ice modeling results show that this large thinning is consistent with our air temperature reconstruction. The modeling results also demonstrate the broader significance of the enhanced warming, with a retreat of the northern ice margin behind its present position in the mid Holocene and a ∼25% increase in total Greenland ice sheet mass loss (∼1.4 m sea-level equivalent) during the last deglaciation, both of which have implications for interpreting geodetic measurements of land uplift and gravity changes in northern Greenland.

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

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.

Interface Study on Amorphous Indium Gallium Zinc Oxide Thin Film Transistors Using High-k Gate Dielectric Materials

Directory of Open Access Journals (Sweden)

Yu-Hsien Lin

2015-01-01

Full Text Available We investigated amorphous indium gallium zinc oxide (a-IGZO thin film transistors (TFTs using different high-k gate dielectric materials such as silicon nitride (Si3N4 and aluminum oxide (Al2O3 at low temperature process (<300°C and compared them with low temperature silicon dioxide (SiO2. The IGZO device with high-k gate dielectric material will expect to get high gate capacitance density to induce large amount of channel carrier and generate the higher drive current. In addition, for the integrating process of integrating IGZO device, postannealing treatment is an essential process for completing the process. The chemical reaction of the high-k/IGZO interface due to heat formation in high-k/IGZO materials results in reliability issue. We also used the voltage stress for testing the reliability for the device with different high-k gate dielectric materials and explained the interface effect by charge band diagram.

Interface Study on Amorphous Indium Gallium Zinc Oxide Thin Film Transistors Using High-k Gate Dielectric Materials

International Nuclear Information System (INIS)

Lin, Y. H.; Chou, J. C.

2015-01-01

We investigated amorphous indium gallium zinc oxide (a-IGZO) thin film transistors (TFT_s) using different high-Κ gate dielectric materials such as silicon nitride (Si_3N_4) and aluminum oxide (Al_2O_3) at low temperature process (<300 degree) and compared them with low temperature silicon dioxide (SiO_2). The IGZO device with high-Κ gate dielectric material will expect to get high gate capacitance density to induce large amount of channel carrier and generate the higher drive current. In addition, for the integrating process of integrating IGZO device, post annealing treatment is an essential process for completing the process. The chemical reaction of the high-κ/IGZO interface due to heat formation in high-Κ/IGZO materials results in reliability issue. We also used the voltage stress for testing the reliability for the device with different high-Κ gate dielectric materials and explained the interface effect by charge band diagram.

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

Deep ice and salty oceans of icy worlds, how high pressures influence their thermodynamics and provide constrains on extraterrestrial habitability

Science.gov (United States)

Journaux, B.; Brown, J. M.; Bollengier, O.; Abramson, E.

2017-12-01

As in Earth arctic and Antarctic regions, suspected extraterrestrial deep oceans in icy worlds (i.e. icy moons and water-rich exoplanets) chemistry and thermodynamic state will strongly depend on their equilibrium with H2O ice and present solutes. Na-Mg-Cl-SO4 salt species are currently the main suspected ionic solutes to be present in deep oceans based on remote sensing, magnetic field measurements, cryovolcanism ice grains chemical analysis and chondritic material aqueous alteration chemical models. Unlike on our planet, deep extraterrestrial ocean might also be interacting at depth with high pressure ices (e.g. III, V, VI, VI, X) which have different behavior compared to ice Ih. Unfortunately, the pressures and temperatures inside these hydrospheres differ significantly from the one found in Earth aqueous environments, so most of our current thermodynamic databases do not cover the range of conditions relevant for modeling realistically large icy worlds interiors. Recent experimental results have shown that the presence of solutes, and more particularly salts, in equilibrium with high pressure ices have large effects on the stability, buoyancy and chemistry of all the phases present at these extreme conditions. High pressure in-situ measurements using diamond anvil cell apparatus were operated both at the University of washington and at the European Synchrotron Radiation Facility on aqueous systems phase diagrams with Na-Mg-Cl-SO4 species, salt incorporation in high pressure ices and density inversions between the solid and the fluids. These results suggest a more complex picture of the interior structure, dynamic and chemical evolution of large icy worlds hydrospheres when solutes are taken into account, compared to current models mainly using pure water. Based on our in-situ experimental measurements, we propose the existence of new liquid environments at greater depths and the possibility of solid state transport of solute through the high pressure ices

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.

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.

High-resolution electron microscopy study of electron-irradiation-induced crystalline-to-amorphous transition in α-SiC single crystals

International Nuclear Information System (INIS)

Inui, H.; Mori, H.; Sakata, T.

1992-01-01

An electron-irradiation-induced crystalline-to-amorphous (CA) transition in α-SiC has been studied by high-resolution electron microscopy (HREM). The irradiation-produced damage structure was examined as a function of dose of electrons by taking high-resolution maps extending from the unirradiated crystalline region to the completely amorphized region. In the intermediate region between those two regions, that is in the CA transition region, the damage structure was essentially a mixture of crystalline and amorphous phases. The volume fraction of the amorphous phase was found to increase with increasing dose of electrons and no discrete crystalline-amorphous interface was observed in the CA transition region. These facts indicate the heterogeneous and gradual nature of the CA transition. In the transition region close to the unirradiated crystalline region, a sort of fragmentation of the crystal lattice was observed to occur, crystallites with slightly different orientations with respect to the parent crystal were formed owing to the strain around the dispersed local amorphous regions. In the transition region close to the amorphized region, these crystallites were reduced in size and were embedded in an amorphous matrix. This damage structure is the result of the increased volume fraction of the amorphous phase. In the completely amorphized region, no lattice fringes were recognized in the HREM images. The atomistic process of the CA transition is discussed on the basis of the present results and those from previous studies. (Author)

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.

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.

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.)

Fluxing purification and its effect on magnetic properties of high-B{sub s} FeBPSiC amorphous alloy

Energy Technology Data Exchange (ETDEWEB)

Pang, Jing [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, Liaoning 110870 (China); Wang, Anding, E-mail: anding@nimte.ac.cn [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Yue, Shiqiang [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Kong, Fengyu [School of Materials and Chemical Engineering, Ningbo University of Technology, Ningbo 315016 (China); Qiu, Keqiang, E-mail: kqqiu@163.com [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, Liaoning 110870 (China); Chang, Chuntao; Wang, Xinmin [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Liu, Chain-Tsuan, E-mail: chainliu@cityu.edu.hk [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

2017-07-01

Highlights: • Surface crystallization in Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} ribbon was inhibited by flux purification. • Amorphous Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} ribbon was made with industrial process and materials. • The ribbons exhibit high B{sub s} of 1.65 T, low H{sub c} of 2 A/m, and high μ{sub e} of 9.7 × 10{sup 3}. • High melting point inclusions trigger the surface crystallization as nuclei. - Abstract: A high-B{sub s} amorphous alloy with the base composition Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} was used to study the effects of fluxing purification on amorphous forming ability and magnetic properties of the alloy prepared with raw materials in industrialization. By using fluxing purification, the surface crystallization was suppressed and fully amorphous Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} ribbons with a maximum thickness of 48 μm were successfully achieved by using an industrial process and materials. The amorphous ribbons made with industrial-purified alloys exhibit excellent magnetic properties, containing high-B{sub s} of 1.65 T, low H{sub c} of 2.0 A/m, and high μ{sub e} of 9.7 × 10{sup 3} at 1 kHz. Impurities in the melting alloys exist in three forms and have different effluences on magnetic properties. The surface crystallization was triggered by the impurities which exist as high melting point inclusions serving as nuclei. Thus, fluxing purification is a feasible way for industrialization of high-B{sub s} FeBPSiC amorphous alloys.

High-precision GPS autonomous platforms for sea ice dynamics and physical oceanography

Science.gov (United States)

Elosegui, P.; Wilkinson, J.; Olsson, M.; Rodwell, S.; James, A.; Hagan, B.; Hwang, B.; Forsberg, R.; Gerdes, R.; Johannessen, J.; Wadhams, P.; Nettles, M.; Padman, L.

2012-12-01

Project "Arctic Ocean sea ice and ocean circulation using satellite methods" (SATICE), is the first high-rate, high-precision, continuous GPS positioning experiment on sea ice in the Arctic Ocean. The SATICE systems collect continuous, dual-frequency carrier-phase GPS data while drifting on sea ice. Additional geophysical measurements also collected include ocean water pressure, ocean surface salinity, atmospheric pressure, snow-depth, air-ice-ocean temperature profiles, photographic imagery, and others, enabling sea ice drift, freeboard, weather, ice mass balance, and sea-level height determination. Relatively large volumes of data from each buoy are streamed over a satellite link to a central computer on the Internet in near real time, where they are processed to estimate the time-varying buoy positions. SATICE system obtains continuous GPS data at sub-minute intervals with a positioning precision of a few centimetres in all three dimensions. Although monitoring of sea ice motions goes back to the early days of satellite observations, these autonomous platforms bring out a level of spatio-temporal detail that has never been seen before, especially in the vertical axis. These high-resolution data allows us to address new polar science questions and challenge our present understanding of both sea ice dynamics and Arctic oceanography. We will describe the technology behind this new autonomous platform, which could also be adapted to other applications that require high resolution positioning information with sustained operations and observations in the polar marine environment, and present results pertaining to sea ice dynamics and physical oceanography.

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

High-pressure behavior of amorphous selenium from ultrasonic measurements and Raman spectroscopy

Energy Technology Data Exchange (ETDEWEB)

He, Z.; Liu, X. R.; Hong, S. M., E-mail: hpswjtu@gmail.com, E-mail: smhong@home.swjtu.edu.cn [Laboratory of High Pressure Physics, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031 (China); Wang, Z. G. [National Key Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621900 (China); Zhu, H. Y. [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Peng, J. P. [School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China)

2014-07-07

The high-pressure behavior of melt-quenched amorphous selenium (a-Se) has been investigated via ultrasonic measurements and Raman scattering at room temperature. The ultrasonic measurements were conducted on a-Se in a multi-anvil apparatus with two different sample assemblies at pressures of up to 4.5 and 4.8 GPa. We discovered that similar kinks occur in the slopes of the pressure dependence characteristics of the travel time and the sound velocity in both shear and longitudinal waves in the 2.0–2.5 GPa range. These kinks are independent of the sample assemblies, indicating an intrinsic transformation of the a-Se. Additionally, we deduced the pressure-volume relationship of a-Se from the sound velocity characteristics using the Birch–Murnaghan equation of state, and the results agreed well with those of previous reports. In situ high-pressure Raman scattering measurements of a-Se were conducted in a diamond anvil cell with an 830 nm excitation line up to a pressure of 4.3 GPa. We found that the characteristic band of a-Se at ∼250 cm{sup −1} experienced a smooth shift to a lower frequency with pressure, but a sharp slope change in the band intensity versus pressure occurred near 2.5 GPa. The results of X-ray diffraction and differential scanning calorimetry measurements indicate that the samples remain in their amorphous states after decompression. Thus, we proposed that the abnormal compression behavior of a-Se in the 2.0–2.5 GPa range can be attributed to pressure-induced local atomic reconfiguration, implying an amorphous-amorphous transition of the elementary selenium.

Amorphous intergranular films in silicon nitride ceramics quenched from high temperatures

International Nuclear Information System (INIS)

Cinibulk, M.K.; Kleebe, H.; Schneider, G.A.; Ruehle, M.

1993-01-01

High-temperature microstructure of an MgO-hot-pressed Si 3 N 4 and a Yb 2 O 3 + Al 2 O 3 -sintered/annealed Si 3 N 4 were obtained by quenching thin specimens from temperatures between 1,350 and 1,550 C. Quenching materials from 1,350 C produced no observable exchanges in the secondary phases at triple-grain junctions or along grain boundaries. Although quenching from temperatures of ∼1,450 C also showed no significant changes in the general microstructure or morphology of the Si 3 N 4 grains, the amorphous intergranular film thickness increased substantially from an initial ∼1 nm in the slowly cooled material to 1.5--9 nm in the quenched materials. The variability of film thickness in a given material suggests a nonequilibrium state. Specimens quenched from 1,550 C revealed once again thin (1-nm) intergranular films at all high-angle grain boundaries, indicating an equilibrium condition. The changes observed in intergranular-film thickness by high-resolution electron microscopy can be related to the eutectic temperature of the system and to diffusional and viscous processes occurring in the amorphous intergranular film during the high-temperature anneal prior to quenching

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.

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.

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.

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

High interannual variability of sea ice thickness in the Arctic region.

Science.gov (United States)

Laxon, Seymour; Peacock, Neil; Smith, Doug

2003-10-30

Possible future changes in Arctic sea ice cover and thickness, and consequent changes in the ice-albedo feedback, represent one of the largest uncertainties in the prediction of future temperature rise. Knowledge of the natural variability of sea ice thickness is therefore critical for its representation in global climate models. Numerical simulations suggest that Arctic ice thickness varies primarily on decadal timescales owing to changes in wind and ocean stresses on the ice, but observations have been unable to provide a synoptic view of sea ice thickness, which is required to validate the model results. Here we use an eight-year time-series of Arctic ice thickness, derived from satellite altimeter measurements of ice freeboard, to determine the mean thickness field and its variability from 65 degrees N to 81.5 degrees N. Our data reveal a high-frequency interannual variability in mean Arctic ice thickness that is dominated by changes in the amount of summer melt, rather than by changes in circulation. Our results suggest that a continued increase in melt season length would lead to further thinning of Arctic sea ice.

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

Industrialization of nanocrystalline Fe–Si–B–P–Cu alloys for high magnetic flux density cores

International Nuclear Information System (INIS)

Takenaka, Kana; Setyawan, Albertus D.; Sharma, Parmanand; Nishiyama, Nobuyuki; Makino, Akihiro

2016-01-01

Nanocrystalline Fe–Si–B–P–Cu alloys exhibit high saturation magnetic flux density (B s ) and extremely low magnetic core loss (W), simultaneously. Low amorphous-forming ability of these alloys hinders their application potential in power transformers and motors. Here we report a solution to this problem. Minor addition of C is found to be effective in increasing the amorphous-forming ability of Fe–Si–B–P–Cu alloys. It allows fabrication of 120 mm wide ribbons (which was limited to less than 40 mm) without noticeable degradation in magnetic properties. The nanocrystalline (Fe 85.7 Si 0.5 B 9.5 P 3.5 Cu 0.8 ) 99 C 1 ribbons exhibit low coercivity (H c )~4.5 A/m, high B s ~1.83 T and low W~0.27 W/kg (@ 1.5 T and 50 Hz). Success in fabrication of long (60–100 m) and wide (~120 mm) ribbons, which are made up of low cost elements is promising for mass production of energy efficient high power transformers and motors - Highlights: • Minor addition of C in FeSiBPCu alloy increases amorphous-forming ability. • The FeSiBPCuC alloy exhibits B s close to Si-steel and Core loss lower than it. • Excellent soft magnetic properties were obtained for 120 mm wide ribbons. • Nanocrystalline FeSiBPCuC alloy can be produced at industrial scale with low cost. • The alloy is suitable for making low energy loss power transformers and motors.

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.

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.

High-frequency and meso-scale winter sea-ice variability in the Southern Ocean in a high-resolution global ocean model

Science.gov (United States)

Stössel, Achim; von Storch, Jin-Song; Notz, Dirk; Haak, Helmuth; Gerdes, Rüdiger

2018-03-01

This study is on high-frequency temporal variability (HFV) and meso-scale spatial variability (MSV) of winter sea-ice drift in the Southern Ocean simulated with a global high-resolution (0.1°) sea ice-ocean model. Hourly model output is used to distinguish MSV characteristics via patterns of mean kinetic energy (MKE) and turbulent kinetic energy (TKE) of ice drift, surface currents, and wind stress, and HFV characteristics via time series of raw variables and correlations. We find that (1) along the ice edge, the MSV of ice drift coincides with that of surface currents, in particular such due to ocean eddies; (2) along the coast, the MKE of ice drift is substantially larger than its TKE and coincides with the MKE of wind stress; (3) in the interior of the ice pack, the TKE of ice drift is larger than its MKE, mostly following the TKE pattern of wind stress; (4) the HFV of ice drift is dominated by weather events, and, in the absence of tidal currents, locally and to a much smaller degree by inertial oscillations; (5) along the ice edge, the curl of the ice drift is highly correlated with that of surface currents, mostly reflecting the impact of ocean eddies. Where ocean eddies occur and the ice is relatively thin, ice velocity is characterized by enhanced relative vorticity, largely matching that of surface currents. Along the ice edge, ocean eddies produce distinct ice filaments, the realism of which is largely confirmed by high-resolution satellite passive-microwave data.

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.

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.

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

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.)

High strength nanostructured Al-based alloys through optimized processing of rapidly quenched amorphous precursors.

Science.gov (United States)

Kim, Song-Yi; Lee, Gwang-Yeob; Park, Gyu-Hyeon; Kim, Hyeon-Ah; Lee, A-Young; Scudino, Sergio; Prashanth, Konda Gokuldoss; Kim, Do-Hyang; Eckert, Jürgen; Lee, Min-Ha

2018-01-18

We report the methods increasing both strength and ductility of aluminum alloys transformed from amorphous precursor. The mechanical properties of bulk samples produced by spark-plasma sintering (SPS) of amorphous Al-Ni-Co-Dy powders at temperatures above 673 K are significantly enhanced by in-situ crystallization of nano-scale intermetallic compounds during the SPS process. The spark plasma sintered Al 84 Ni 7 Co 3 Dy 6 bulk specimens exhibit 1433 MPa compressive yield strength and 1773 MPa maximum strength together with 5.6% plastic strain, respectively. The addition of Dy enhances the thermal stability of primary fcc Al in the amorphous Al-TM -RE alloy. The precipitation of intermetallic phases by crystallization of the remaining amorphous matrix plays important role to restrict the growth of the fcc Al phase and contributes to the improvement of the mechanical properties. Such fully crystalline nano- or ultrafine-scale Al-Ni-Co-Dy systems are considered promising for industrial application because their superior mechanical properties in terms of a combination of very high room temperature strength combined with good ductility.

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

Synthesis of nano-sized amorphous boron powders through active dilution self-propagating high-temperature synthesis method

Energy Technology Data Exchange (ETDEWEB)

Wang, Jilin [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Gu, Yunle [School of Material Science and Engineering, Wuhan Institute of Technology, Wuhan 430073 (China); Li, Zili [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Wang, Weimin, E-mail: wangwm@hotmail.com [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Fu, Zhengyi [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China)

2013-06-01

Graphical abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed. Highlights: ► Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis method. ► The morphology, particle size and purity of the samples could be effectively controlled via changing the endothermic rate. ► The diluter KBH{sub 4} played an important role in active dilution synthesis of amorphous nano-sized boron powders. ► The active dilution method could be further popularized and become a common approach to prepare various inorganic materials. - Abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method at temperatures ranging from 700 °C to 850 °C in a SHS furnace using Mg, B{sub 2}O{sub 3} and KBH{sub 4} as raw materials. Samples were characterized by X-ray powder diffraction (XRD), Laser particle size analyzer, Fourier transform infrared spectra (FTIR), X-ray energy dispersive spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission TEM (HRTEM). The boron powders demonstrated an average particle size of 50 nm with a purity of 95.64 wt.%. The diluter KBH{sub 4} played an important role in the active dilution synthesis of amorphous nano-sized boron powders. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed.

Synthesis of nano-sized amorphous boron powders through active dilution self-propagating high-temperature synthesis method

International Nuclear Information System (INIS)

Wang, Jilin; Gu, Yunle; Li, Zili; Wang, Weimin; Fu, Zhengyi

2013-01-01

Graphical abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed. Highlights: ► Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis method. ► The morphology, particle size and purity of the samples could be effectively controlled via changing the endothermic rate. ► The diluter KBH 4 played an important role in active dilution synthesis of amorphous nano-sized boron powders. ► The active dilution method could be further popularized and become a common approach to prepare various inorganic materials. - Abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method at temperatures ranging from 700 °C to 850 °C in a SHS furnace using Mg, B 2 O 3 and KBH 4 as raw materials. Samples were characterized by X-ray powder diffraction (XRD), Laser particle size analyzer, Fourier transform infrared spectra (FTIR), X-ray energy dispersive spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission TEM (HRTEM). The boron powders demonstrated an average particle size of 50 nm with a purity of 95.64 wt.%. The diluter KBH 4 played an important role in the active dilution synthesis of amorphous nano-sized boron powders. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed

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.

Classical molecular dynamics and quantum ab-initio studies on lithium-intercalation in interconnected hollow spherical nano-spheres of amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Bhowmik, A. [Atomic Scale Modelling and Materials, Department of Energy Conversion and Storage, Technical University of Denmark, Rios Campus, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Malik, R. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, 721302 (India); Prakash, S. [Defense Metallurgical Research Laboratory, Hyderabad (India); Sarkar, T.; Bharadwaj, M.D. [Center for Study of Science Technology and Policy, Bangalore 560094 (India); Aich, S. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, 721302 (India); Ghosh, S., E-mail: sudipto@metal.iitkgp.ernet.in [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, 721302 (India)

2016-04-25

A high concentration of lithium, corresponding to charge capacity of ∼4200 mAh/g, can be intercalated in silicon. Unfortunately, due to high intercalation strain leading to fracture and consequent poor cyclability, silicon cannot be used as anode in lithium ion batteries. But recently interconnected hollow nano-spheres of amorphous silicon have been found to exhibit high cyclability. The absence of fracture upon lithiation and the high cyclability has been attributed to reduction in intercalation stress due to hollow spherical geometry of the silicon nano-particles. The present work argues that the hollow spherical geometry alone cannot ensure the absence of fracture. Using classical molecular dynamics and density functional theory based simulations; satisfactory explanation to the absence of fracture has been explored at the atomic scale. - Highlights: • Interconnected nanoshells of amorphous Si: best available lithium ion cell anode. • High cycle life not understood in the light of poor K{sub IC} of amorphous Si. • MD reveals: atomic density of interconnected structure is ∼16% less than bulk Si. • Leads to drastic reduction (DFT) in lithiation σ & metal like e{sup −} structure (high K{sub IC}). • Lowering of lithiation σ and increase in K{sub IC} result in high cycle life.

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

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.

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.

High-resolution ice thickness and bed topography of a land-terminating section of the Greenland Ice Sheet

DEFF Research Database (Denmark)

Lindbäck, K.; Pettersson, R.; Doyle, S. H.

2014-01-01

We present ice thickness and bed topography maps with high spatial resolution (250 to 500 m) of a and-terminating section of the Greenland Ice Sheet derived from combined ground-based and airborne radar surveys. The data have a total area of ~12000 km2 and cover the whole ablation area of the out...

On the Importance of High Frequency Gravity Waves for Ice Nucleation in the Tropical Tropopause Layer

Science.gov (United States)

Jensen, Eric J.

2016-01-01

Recent investigations of the influence of atmospheric waves on ice nucleation in cirrus have identified a number of key processes and sensitivities: (1) ice concentrations produced by homogeneous freezing are strongly dependent on cooling rates, with gravity waves dominating upper tropospheric cooling rates; (2) rapid cooling driven by high-frequency waves are likely responsible for the rare occurrences of very high ice concentrations in cirrus; (3) sedimentation and entrainment tend to decrease ice concentrations as cirrus age; and (4) in some situations, changes in temperature tendency driven by high-frequency waves can quench ice nucleation events and limit ice concentrations. Here we use parcel-model simulations of ice nucleation driven by long-duration, constant-pressure balloon temperature time series, along with an extensive dataset of cold cirrus microphysical properties from the recent ATTREX high-altitude aircraft campaign, to statistically examine the importance of high-frequency waves as well as the consistency between our theoretical understanding of ice nucleation and observed ice concentrations. The parcel-model simulations indicate common occurrence of peak ice concentrations exceeding several hundred per liter. Sedimentation and entrainment would reduce ice concentrations as clouds age, but 1-D simulations using a wave parameterization (which underestimates rapid cooling events) still produce ice concentrations higher than indicated by observations. We find that quenching of nucleation events by high-frequency waves occurs infrequently and does not prevent occurrences of large ice concentrations in parcel simulations of homogeneous freezing. In fact, the high-frequency variability in the balloon temperature data is entirely responsible for production of these high ice concentrations in the simulations.

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

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...

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)

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.

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

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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.

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.

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.

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.

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....

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/

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.

Effect of preparation conditions on the properties of glow-discharge intrinsic amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Gutierrez, M T; Carabe, J; Gandia, J J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Solonko, A [Inst. of High Temperatures of the USSR (IVTAN), Academy of Sciences, Moscow (USSR)

1992-04-01

The influence of the preparation conditions (process pressure, substrate temperature, RF-power density and deposition time/thickness) on the optical and electrical properties of intrinsic hydrogenated amorphous silicon (a-Si:H) has been investigated with the aim of optimising such films to be used as absorbent layers of a-Si:H-based p-i-n solar cells. Highly photosensitive films have been obtained at high growth rates (6.2 A s{sup -1}) in the depletion regime using a high process pressure (1000 mTorr), a moderate substrate temperature (250deg C) and a relatively high RF-power density (35.2 mW cm{sup -2}). These films have excellent properties for the application in question. (orig.).

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

Preparation of Ta(C)N films by pulsed high energy density plasma

Energy Technology Data Exchange (ETDEWEB)

Feng Wenran [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Chen Guangliang [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Zhang Yan [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Gu Weichao [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Zhang Guling [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Niu Erwu [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Liu Chizi [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Yang Size [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China)

2007-04-07

The pulsed high energy density plasma (PHEDP) is generated in the working gas due to a high-voltage high-current discharge, within a coaxial gun. In PHEDP surface modification, discharge is applied for preparing the amorphous and nanostructured high-melting materials as thin films deposited on various substrates. In this investigation, Ta(C)N films were deposited using PHEDP on stainless steel. Pure tantalum and graphite were used as the inner and outer electrodes of the PHEDP coaxial gun, respectively. Nitrogen was used as the working gas and also one of the reactants. Preliminary study on the films prepared under different conditions shows that the formation of Ta(C)N is drastically voltage dependent. At lower gun voltage, no Ta(C)N was detected in the films; when the gun voltage reaches or exceeds 3.0 kV, Ta(C)N occurred. The films are composed of densely stacked nanocrystallines with diameter less than 30 nm, and some grains are within 10 nm in diameter.

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

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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.

Assessment of the High Resolution SAR Mode of the RADARSAT Constellation Mission for First Year Ice and Multiyear Ice Characterization

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Mohammed Dabboor

2018-04-01

Full Text Available Simulated compact polarimetry from the RADARSAT Constellation Mission (RCM is evaluated for sea ice classification. Compared to previous studies that evaluated the potential of RCM for sea ice classification, this study focuses on the High Resolution (HR Synthetic Aperture Radar (SAR mode of the RCM associated with a higher noise floor (Noise Equivalent Sigma Zero of −19 dB, which can prove challenging for sea ice monitoring. Twenty three Compact Polarimetric (CP parameters were derived and analyzed for the discrimination between first year ice (FYI and multiyear ice (MYI. The results of the RCM HR mode are compared with those previously obtained for other RCM SAR modes for possible CP consistency parameters in sea ice classification under different noise floors, spatial resolutions, and radar incidence angles. Finally, effective CP parameters were identified and used for the classification of FYI and MYI using the Random Forest (RF classification algorithm. This study indicates that, despite the expected high noise floor of the RCM HR mode, CP SAR data from this mode are promising for the classification of FYI and MYI in dry ice winter conditions. The overall classification accuracies of CP SAR data over two test sites (96.13% and 96.84% were found to be comparable to the accuracies obtained using Full Polarimetric (FP SAR data (98.99% and 99.20%.

Recent ice cap snowmelt in Russian High Arctic and anti-correlation with late summer sea ice extent

International Nuclear Information System (INIS)

Zhao, Meng; Ramage, Joan; Semmens, Kathryn; Obleitner, Friedrich

2014-01-01

Glacier surface melt dynamics throughout Novaya Zemlya (NovZ) and Severnaya Zemlya (SevZ) serve as a good indicator of ice mass ablation and regional climate change in the Russian High Arctic. Here we report trends of surface melt onset date (MOD) and total melt days (TMD) by combining multiple resolution-enhanced active and passive microwave satellite datasets and analyze the TMD correlations with local temperature and regional sea ice extent. The glacier surface snowpack on SevZ melted significantly earlier (−7.3 days/decade) from 1992 to 2012 and significantly longer (7.7 days/decade) from 1995 to 2011. NovZ experienced large interannual variability in MOD, but its annual mean TMD increased. The snowpack melt on NovZ is more sensitive to temperature fluctuations than SevZ in recent decades. After ruling out the regional temperature influence using partial correlation analysis, the TMD on both archipelagoes is statistically anti-correlated with regional late summer sea ice extent, linking land ice snowmelt dynamics to regional sea ice extent variations. (letter)

Amorphous silicon ionizing particle detectors

Science.gov (United States)

Street, Robert A.; Mendez, Victor P.; Kaplan, Selig N.

1988-01-01

Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation.

Amorphous Silicon-Germanium Films with Embedded Nanocrystals for Thermal Detectors with Very High Sensitivity

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Cesar Calleja

2016-01-01

Full Text Available We have optimized the deposition conditions of amorphous silicon-germanium films with embedded nanocrystals in a plasma enhanced chemical vapor deposition (PECVD reactor, working at a standard frequency of 13.56 MHz. The objective was to produce films with very large Temperature Coefficient of Resistance (TCR, which is a signature of the sensitivity in thermal detectors (microbolometers. Morphological, electrical, and optical characterization were performed in the films, and we found optimal conditions for obtaining films with very high values of thermal coefficient of resistance (TCR = 7.9% K−1. Our results show that amorphous silicon-germanium films with embedded nanocrystals can be used as thermosensitive films in high performance infrared focal plane arrays (IRFPAs used in commercial thermal cameras.

The location of the second critical point of water

Science.gov (United States)

Kanno, Hitoshi; Miyata, Kuniharu

2006-05-01

Based on the DTA data for homogeneous ice nucleation of emulsified liquid water at low temperatures and high pressures, the location of the second critical point (SCP) of water, which is expected to exist in addition to the normal liquid-vapor critical point, is estimated to be at 145 K pressure). It is shown that SCP is closely associated with the break point of the curve for the homogeneous ice nucleation temperature ( TH) of liquid water and with the transition between low density and high density amorphous solid water (LDA and HDA). Although the existence of SCP has become more realistic, the location seems to be less favorable to the water model of the second-critical-point interpretation.

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

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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.

Highly Conductive Carbon Fiber Reinforced Concrete for Icing Prevention and Curing.

Science.gov (United States)

Galao, Oscar; Bañón, Luis; Baeza, Francisco Javier; Carmona, Jesús; Garcés, Pedro

2016-04-12

This paper aims to study the feasibility of highly conductive carbon fiber reinforced concrete (CFRC) as a self-heating material for ice formation prevention and curing in pavements. Tests were carried out in lab ambient conditions at different fixed voltages and then introduced in a freezer at -15 °C. The specimens inside the freezer were exposed to different fixed voltages when reaching +5 °C for prevention of icing and when reaching the temperature inside the freezer, i.e. , -15 °C, for curing of icing. Results show that this concrete could act as a heating element in pavements with risk of ice formation, consuming a reasonable amount of energy for both anti-icing (prevention) and deicing (curing), which could turn into an environmentally friendly and cost-effective deicing method.

High-Power-Density, High-Energy-Density Fluorinated Graphene for Primary Lithium Batteries

Directory of Open Access Journals (Sweden)

Guiming Zhong

2018-03-01

Full Text Available Li/CFx is one of the highest-energy-density primary batteries; however, poor rate capability hinders its practical applications in high-power devices. Here we report a preparation of fluorinated graphene (GFx with superior performance through a direct gas fluorination method. We find that the so-called “semi-ionic” C-F bond content in all C-F bonds presents a more critical impact on rate performance of the GFx in comparison with sp2 C content in the GFx, morphology, structure, and specific surface area of the materials. The rate capability remains excellent before the semi-ionic C-F bond proportion in the GFx decreases. Thus, by optimizing semi-ionic C-F content in our GFx, we obtain the optimal x of 0.8, with which the GF0.8 exhibits a very high energy density of 1,073 Wh kg−1 and an excellent power density of 21,460 W kg−1 at a high current density of 10 A g−1. More importantly, our approach opens a new avenue to obtain fluorinated carbon with high energy densities without compromising high power densities.

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.

High-resolution boundary conditions of an old ice target near Dome C, Antarctica

Science.gov (United States)

Young, Duncan A.; Roberts, Jason L.; Ritz, Catherine; Frezzotti, Massimo; Quartini, Enrica; Cavitte, Marie G. P.; Tozer, Carly R.; Steinhage, Daniel; Urbini, Stefano; Corr, Hugh F. J.; van Ommen, Tas; Blankenship, Donald D.

2017-08-01

A high-resolution (1 km line spacing) aerogeophysical survey was conducted over a region near the East Antarctic Ice Sheet's Dome C that may hold a 1.5 Myr climate record. We combined new ice thickness data derived from an airborne coherent radar sounder with unpublished data that was in part unavailable for earlier compilations, and we were able to remove older data with high positional uncertainties. We generated a revised high-resolution digital elevation model (DEM) to investigate the potential for an old ice record in this region, and used laser altimetry to confirm a Cryosat-2 derived DEM for inferring the glaciological state of the candidate area. By measuring the specularity content of the bed, we were able to find an additional 50 subglacial lakes near the candidate site, and by Doppler focusing the radar data, we were able to map out the roughness of the bed at length scales of hundreds of meters. We find that the primary candidate region contains elevated rough topography interspersed with scattered subglacial lakes and some regions of smoother bed. Free subglacial water appears to be restricted from bed overlain by ice thicknesses of less than 3000 m. A site near the ice divide was selected for further investigation. The high resolution of this ice thickness data set also allows us to explore the nature of ice thickness uncertainties in the context of radar geometry and processing.

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

A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

International Nuclear Information System (INIS)

Huang, Y.J.; Shen, J.; Sun, J.F.; Yu, X.B.

2007-01-01

The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti 41.5 Zr 2.5 Hf 5 Cu 42.5-x Ni 7.5 Si 1 Sn x (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy. The activation energies for glass transition and crystallization for Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy also possesses superior mechanical properties

A Decade of High-Resolution Arctic Sea Ice Measurements from Airborne Altimetry

Science.gov (United States)

Duncan, K.; Farrell, S. L.; Connor, L. N.; Jackson, C.; Richter-Menge, J.

2017-12-01

Satellite altimeters carried on board ERS-1,-2, EnviSat, ICESat, CryoSat-2, AltiKa and Sentinel-3 have transformed our ability to map the thickness and volume of the polar sea ice cover, on seasonal and decadal time-scales. The era of polar satellite altimetry has coincided with a rapid decline of the Arctic ice cover, which has thinned, and transitioned from a predominantly multi-year to first-year ice cover. In conjunction with basin-scale satellite altimeter observations, airborne surveys of the Arctic Ocean at the end of winter are now routine. These surveys have been targeted to monitor regions of rapid change, and are designed to obtain the full snow and ice thickness distribution, across a range of ice types. Sensors routinely deployed as part of NASA's Operation IceBridge (OIB) campaigns include the Airborne Topographic Mapper (ATM) laser altimeter, the frequency-modulated continuous-wave snow radar, and the Digital Mapping System (DMS). Airborne measurements yield high-resolution data products and thus present a unique opportunity to assess the quality and characteristics of the satellite observations. We present a suite of sea ice data products that describe the snow depth and thickness of the Arctic ice cover during the last decade. Fields were derived from OIB measurements collected between 2009-2017, and from reprocessed data collected during ad-hoc sea ice campaigns prior to OIB. Our bespoke algorithms are designed to accommodate the heterogeneous sea ice surface topography, that varies at short spatial scales. We assess regional and inter-annual variability in the sea ice thickness distribution. Results are compared to satellite-derived ice thickness fields to highlight the sensitivities of satellite footprints to the tails of the thickness distribution. We also show changes in the dynamic forcing shaping the ice pack over the last eight years through an analysis of pressure-ridge sail-height distributions and surface roughness conditions

Late winter biogeochemical conditions under sea ice in the Canadian High Arctic

Directory of Open Access Journals (Sweden)

Helen S. Findlay

2015-12-01

Full Text Available With the Arctic summer sea-ice extent in decline, questions are arising as to how changes in sea-ice dynamics might affect biogeochemical cycling and phenomena such as carbon dioxide (CO2 uptake and ocean acidification. Recent field research in these areas has concentrated on biogeochemical and CO2 measurements during spring, summer or autumn, but there are few data for the winter or winter–spring transition, particularly in the High Arctic. Here, we present carbon and nutrient data within and under sea ice measured during the Catlin Arctic Survey, over 40 days in March and April 2010, off Ellef Ringnes Island (78° 43.11′ N, 104° 47.44′ W in the Canadian High Arctic. Results show relatively low surface water (1–10 m nitrate (<1.3 µM and total inorganic carbon concentrations (mean±SD=2015±5.83 µmol kg−1, total alkalinity (mean±SD=2134±11.09 µmol kg−1 and under-ice pCO2sw (mean±SD=286±17 µatm. These surprisingly low wintertime carbon and nutrient conditions suggest that the outer Canadian Arctic Archipelago region is nitrate-limited on account of sluggish mixing among the multi-year ice regions of the High Arctic, which could temper the potential of widespread under-ice and open-water phytoplankton blooms later in the season.

Interactive Ice Sheet Flowline Model for High School and College Students

Science.gov (United States)

Stearns, L. A.; Rezvanbehbahani, S.; Shankar, S.

2017-12-01

Teaching about climate and climate change is conceptually challenging. While teaching tools and lesson plans are rapidly evolving to help teachers and students improve their understanding of climate processes, there are very few tools targeting ice sheet and glacier dynamics. We have built an interactive ice sheet model that allows students to explore how Antarctic glaciers respond to different climate perturbations. Interactive models offer advantages that are hard to obtain in traditional classroom settings; users can systematically investigate hypothetical situations, explore the effects of modifying systems, and repeatedly observe how systems interrelate. As a result, this project provides a much-needed bridge between the data and models used by the scientific community and students in high school and college. We target our instructional and assessment activities to three high school and college students with the overall aim of increasing understanding of ice sheet dynamics and the different ways that ice sheets are impacted by climate change, while also improving their fundamental math skills.

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

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.

Pressure-induced transformations in computer simulations of glassy water

Science.gov (United States)

Chiu, Janet; Starr, Francis W.; Giovambattista, Nicolas

2013-11-01

Glassy water occurs in at least two broad categories: low-density amorphous (LDA) and high-density amorphous (HDA) solid water. We perform out-of-equilibrium molecular dynamics simulations to study the transformations of glassy water using the ST2 model. Specifically, we study the known (i) compression-induced LDA-to-HDA, (ii) decompression-induced HDA-to-LDA, and (iii) compression-induced hexagonal ice-to-HDA transformations. We study each transformation for a broad range of compression/decompression temperatures, enabling us to construct a "P-T phase diagram" for glassy water. The resulting phase diagram shows the same qualitative features reported from experiments. While many simulations have probed the liquid-state phase behavior, comparatively little work has examined the transitions of glassy water. We examine how the glass transformations relate to the (first-order) liquid-liquid phase transition previously reported for this model. Specifically, our results support the hypothesis that the liquid-liquid spinodal lines, between a low-density and high-density liquid, are extensions of the LDA-HDA transformation lines in the limit of slow compression. Extending decompression runs to negative pressures, we locate the sublimation lines for both LDA and hyperquenched glassy water (HGW), and find that HGW is relatively more stable to the vapor. Additionally, we observe spontaneous crystallization of HDA at high pressure to ice VII. Experiments have also seen crystallization of HDA, but to ice XII. Finally, we contrast the structure of LDA and HDA for the ST2 model with experiments. We find that while the radial distribution functions (RDFs) of LDA are similar to those observed in experiments, considerable differences exist between the HDA RDFs of ST2 water and experiment. The differences in HDA structure, as well as the formation of ice VII (a tetrahedral crystal), are a consequence of ST2 overemphasizing the tetrahedral character of water.

FY 1999 report on the results of the development of technology of super metal. Development of nano/amorphous structure control materials; 1999 nendo super metal no gijutsu kaihatsu seika hokokusho. Nano amorphous kozo seigyo gijutsu no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-03-01

For the purpose of reducing the amount of energy consumption of transportation equipment such as automobiles, the development is made of innovative metal materials enabling the weight reduction of members relatively on the basis of simple chemical components and by making more substantial improvement of characteristics such as strength and toughness than in the existing metals. For it, the following R and D are conducted in which nano crystal structure and non-equilibrium phase structure such as amorphous are controlled to the limits: 1) particle micro-dispersion technology; 2) high speed super plastic formation technology; 3) high density energy utilization control technology; 4) control cooling technology. In 1), study was made of alloy components and effects of the creation process which are needed for achievement of the nano level of crystal grain. In 2), conditions of vapor deposition and production in high speed particle deposition method are optimally selected, and amorphous and nano crystal structures can easily be produced. In 3), high corrosion-resistant amorphous alloy bulk materials with 5mm thickness and 10mm diameter were successfully trially manufactured. In 4), a bulk amorphous specimen with 10mm outer diameter, 6mm inner diameter and 1mm thickness which was fabricated in the forging method indicated favorable magnetic properties. A method to make a specimen which is more stable is being studied. (NEDO)

Highly Conductive Carbon Fiber Reinforced Concrete for Icing Prevention and Curing

Directory of Open Access Journals (Sweden)

Oscar Galao

2016-04-01

Full Text Available This paper aims to study the feasibility of highly conductive carbon fiber reinforced concrete (CFRC as a self-heating material for ice formation prevention and curing in pavements. Tests were carried out in lab ambient conditions at different fixed voltages and then introduced in a freezer at −15 °C. The specimens inside the freezer were exposed to different fixed voltages when reaching +5 °C for prevention of icing and when reaching the temperature inside the freezer, i.e., −15 °C, for curing of icing. Results show that this concrete could act as a heating element in pavements with risk of ice formation, consuming a reasonable amount of energy for both anti-icing (prevention and deicing (curing, which could turn into an environmentally friendly and cost-effective deicing method.

As-grown vertically aligned amorphous TiO2 nanotube arrays as high-rate Li-based micro-battery anodes with improved long-term performance

International Nuclear Information System (INIS)

Lamberti, Andrea; Garino, Nadia; Sacco, Adriano; Bianco, Stefano; Chiodoni, Angelica; Gerbaldi, Claudio

2015-01-01

Highlights: • Amorphous TiO 2 nanotube (NT) arrays are fabricated by fast and facile anodic oxidation. • Near-theoretical initial specific capacity and remarkable rate capability. • Very long-term cycling stability (>2000 cycles) at a very high C-rate. • High surface area and improved interfacial characteristics for fast diffusion kinetics. • NTs show promising prospects in storage devices conceived for high power applications. - Abstract: Vertically oriented arrays of high surface area TiO 2 nanotubes (NTs) are fabricated by the fast and facile anodic oxidation of a titanium foil. The formation of well-defined one-dimensional nanotubular carpets is assessed by means of morphological Field Emission Scanning Electron Microscopy characterisation, while X-ray diffraction analysis and Transmission Electron Microscopy imaging confirm the amorphous nature of the samples. The electrochemical response evaluated in lab-scale lithium cells is highly satisfying with near-theoretical initial specific capacity and remarkable rate capability, noteworthy in the absence of binders and conductive agents, which would affect the overall energy density. A specific capacity exceeding 200 mAh g −1 is observed at very high 24 C and approx. 80 mAh g −1 are retained even at very high 96 C rate, thus accounting for the promising prospects in storage devices conceived for high power applications. Moreover, the NTs can perform with good cycling stability and capacity retention approaching 50% of the initial value after very long-term operation along with improved durability (> 2000 cycles)

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.

Room-Temperature-Synthesized High-Mobility Transparent Amorphous CdO-Ga2O3 Alloys with Widely Tunable Electronic Bands.

Science.gov (United States)

Liu, Chao Ping; Ho, Chun Yuen; Dos Reis, Roberto; Foo, Yishu; Guo, Peng Fei; Zapien, Juan Antonio; Walukiewicz, Wladek; Yu, Kin Man

2018-02-28

In this work, we have synthesized Cd 1-x Ga x O 1+δ alloy thin films at room temperature over the entire composition range by radio frequency magnetron sputtering. We found that alloy films with high Ga contents of x > 0.3 are amorphous. Amorphous Cd 1-x Ga x O 1+δ alloys in the composition range of 0.3 < x < 0.5 exhibit a high electron mobility of 10-20 cm 2 V -1 s -1 with a resistivity in the range of 10 -2 to high 10 -4 Ω cm range. The resistivity of the amorphous alloys can also be controlled over 5 orders of magnitude from 7 × 10 -4 to 77 Ω cm by controlling the oxygen stoichiometry. Over the entire composition range, these crystalline and amorphous alloys have a large tunable intrinsic band gap range of 2.2-4.8 eV as well as a conduction band minimum range of 5.8-4.5 eV below the vacuum level. Our results suggest that amorphous Cd 1-x Ga x O 1+δ alloy films with 0.3 < x < 0.4 have favorable optoelectronic properties as transparent conductors on flexible and/or organic substrates, whereas the band edges and electrical conductivity of films with 0.3 < x < 0.7 can be manipulated for transparent thin-film transistors as well as electron transport layers.

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

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

Drift mobility of thermalized and highly energetic holes in thin layers of amorphous dielectric SiC

International Nuclear Information System (INIS)

Sielski, Jan; Jeszka, Jeremiasz K.

2012-01-01

The development of new technology in the electronics industry requires new dielectric materials. It is also important to understand the charge-carrier transport mechanism in these materials. We examined the hole drift mobility in amorphous SiC dielectric thin films using the time-of-flight (TOF) method. Charge carriers were generated using an electron gun. The generated holes gave a dispersive TOF signal and the mobility was low. For electric field strengths above 4 x 10 5 V cm -1 the drift mobility shows a very strong dependence on the electric field and a weak temperature dependence (transport of ''high-energy'' charge carriers). At lower electric fields and for thermalized charge carriers the mobility is practically field independent and thermally activated. The observed phenomenon was attributed to the changes in the effective energy of the generated carriers moving in the high electric fields and consequently in the density of localized states taking part in the transport. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Amorphous silicon radiation detectors

Science.gov (United States)

Street, Robert A.; Perez-Mendez, Victor; Kaplan, Selig N.

1992-01-01

Hydrogenated amorphous silicon radiation detector devices having enhanced signal are disclosed. Specifically provided are transversely oriented electrode layers and layered detector configurations of amorphous silicon, the structure of which allow high electric fields upon application of a bias thereby beneficially resulting in a reduction in noise from contact injection and an increase in signal including avalanche multiplication and gain of the signal produced by incoming high energy radiation. These enhanced radiation sensitive devices can be used as measuring and detection means for visible light, low energy photons and high energy ionizing particles such as electrons, x-rays, alpha particles, beta particles and gamma radiation. Particular utility of the device is disclosed for precision powder crystallography and biological identification.

Applied high-speed imaging for the icing research program at NASA Lewis Research Center

Science.gov (United States)

Slater, Howard; Owens, Jay; Shin, Jaiwon

1992-01-01

The Icing Research Tunnel at NASA Lewis Research Center provides scientists a scaled, controlled environment to simulate natural icing events. The closed-loop, low speed, refrigerated wind tunnel offers the experimental capability to test for icing certification requirements, analytical model validation and calibration techniques, cloud physics instrumentation refinement, advanced ice protection systems, and rotorcraft icing methodology development. The test procedures for these objectives all require a high degree of visual documentation, both in real-time data acquisition and post-test image processing. Information is provided to scientific, technical, and industrial imaging specialists as well as to research personnel about the high-speed and conventional imaging systems will be on the recent ice protection technology program. Various imaging examples for some of the tests are presented. Additional imaging examples are available from the NASA Lewis Research Center's Photographic and Printing Branch.

Proceedings of the frontiers of hydrogen complexity

International Nuclear Information System (INIS)

Yamamuro, Osamu

2000-05-01

The discussion meeting on complex systems containing hydrogen and/or hydrogen bondings were held at High Energy Accelerator Research Organization (KEK), Japan, in December, 1999, and the proceedings of the papers presented, 18 oral and 20 poster presentations, are included in the present report. Study on water structure using neutron scattering in these 50 years is activated by appearance of new research techniques: Pulsed neutron sources and easy preparation method of amorphous ices, high density amorphous (HDA) and low density amorphous (LDA) one. Both techniques may bring about possibility of elucidation of the dynamics of water structure. Pulsed neutron sources make possible to carry out measurements in a wider Q-w space, thus extending excitations to higher levels. HDA state can be kept in lower temperatures while maintaining the same density as that of liquid water. Research fields relevant to the present discussion include super-cooled liquid, glassy state, supercritical liquid, polymers, gels and micro-emulsions. Other research techniques for this study include X-ray and photon scattering, NMR, dielectric relaxation phenomena, calorimetric measurement, and computer simulations. (S.Ohno)

Controllable film densification and interface flatness for high-performance amorphous indium oxide based thin film transistors

Energy Technology Data Exchange (ETDEWEB)

Ou-Yang, Wei, E-mail: OUYANG.Wei@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Mitoma, Nobuhiko; Kizu, Takio; Gao, Xu; Lin, Meng-Fang; Tsukagoshi, Kazuhito, E-mail: OUYANG.Wei@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp [International Center for Materials Nanoarchitectronics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Nabatame, Toshihide [MANA Foundry and MANA Advanced Device Materials Group, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)

2014-10-20

To avoid the problem of air sensitive and wet-etched Zn and/or Ga contained amorphous oxide transistors, we propose an alternative amorphous semiconductor of indium silicon tungsten oxide as the channel material for thin film transistors. In this study, we employ the material to reveal the relation between the active thin film and the transistor performance with aid of x-ray reflectivity study. By adjusting the pre-annealing temperature, we find that the film densification and interface flatness between the film and gate insulator are crucial for achieving controllable high-performance transistors. The material and findings in the study are believed helpful for realizing controllable high-performance stable transistors.

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.

Amorphous Silicon-Germanium Films with Embedded Nano crystals for Thermal Detectors with Very High Sensitivity

International Nuclear Information System (INIS)

Calleja, C.; Torres, A.; Rosales-Quintero, P.; Moreno, M.

2016-01-01

We have optimized the deposition conditions of amorphous silicon-germanium films with embedded nano crystals in a plasma enhanced chemical vapor deposition (PECVD) reactor, working at a standard frequency of 13.56 MHz. The objective was to produce films with very large Temperature Coefficient of Resistance (TCR), which is a signature of the sensitivity in thermal detectors (micro bolometers). Morphological, electrical, and optical characterization were performed in the films, and we found optimal conditions for obtaining films with very high values of thermal coefficient of resistance (TCR = 7.9%K -1 ). Our results show that amorphous silicon-germanium films with embedded nano crystals can be used as thermo sensitive films in high performance infrared focal plane arrays (IRFPAs) used in commercial thermal cameras.

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.

One-Pot Synthesis of Tunable Crystalline Ni3 S4 @Amorphous MoS2 Core/Shell Nanospheres for High-Performance Supercapacitors.

Science.gov (United States)

Zhang, Yu; Sun, Wenping; Rui, Xianhong; Li, Bing; Tan, Hui Teng; Guo, Guilue; Madhavi, Srinivasan; Zong, Yun; Yan, Qingyu

2015-08-12

Transition metal sulfides gain much attention as electrode materials for supercapacitors due to their rich redox chemistry and high electrical conductivity. Designing hierarchical nanostructures is an efficient approach to fully utilize merits of each component. In this work, amorphous MoS(2) is firstly demonstrated to show specific capacitance 1.6 times as that of the crystalline counterpart. Then, crystalline core@amorphous shell (Ni(3)S(4)@MoS(2)) is prepared by a facile one-pot process. The diameter of the core and the thickness of the shell can be independently tuned. Taking advantages of flexible protection of amorphous shell and high capacitance of the conductive core, Ni(3)S(4) @amorphous MoS(2) nanospheres are tested as supercapacitor electrodes, which exhibit high specific capacitance of 1440.9 F g(-1) at 2 A g(-1) and a good capacitance retention of 90.7% after 3000 cycles at 10 A g(-1). This design of crystalline core@amorphous shell architecture may open up new strategies for synthesizing promising electrode materials for supercapacitors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Radiation tolerance of amorphous semiconductors

International Nuclear Information System (INIS)

Nicolaides, R.V.; DeFeo, S.; Doremus, L.W.

1976-01-01

In an attempt to determine the threshold radiation damage in amorphous semiconductors, radiation tests were performed on amorphous semiconductor thin film materials and on threshold and memory devices. The influence of flash x-rays and neutron radiation upon the switching voltages, on- and off-state characteristics, dielectric response, optical transmission, absorption band edge and photoconductivity were measured prior to, during and following irradiation. These extensive tests showed the high radiation tolerance of amorphous semiconductor materials. Electrical and optical properties, other than photoconductivity, have a neutron radiation tolerance threshold above 10 17 nvt in the steady state and 10 14 nvt in short (50 μsec to 16 msec) pulses. Photoconductivity increases by 1 1 / 2 orders of magnitude at the level of 10 14 nvt (short pulses of 50 μsec). Super flash x-rays up to 5000 rads (Si), 20 nsec, do not initiate switching in off-state samples which are voltage biased up to 90 percent of the threshold voltage. Both memory and threshold amorphous devices are capable of switching on and off during nuclear radiation transients at least as high as 2 x 10 14 nvt in 50 μsec pulses

Conversion of nuclear waste to molten glass: Formation of porous amorphous alumina in a high-Al melter feed

Science.gov (United States)

Xu, Kai; Hrma, Pavel; Washton, Nancy; Schweiger, Michael J.; Kruger, Albert A.

2017-01-01

The transition of Al phases in a simulated high-Al high-level nuclear waste melter feed heated at 5 K min-1 to 700 °C was investigated with transmission electron microscopy, 27Al nuclear magnetic resonance spectroscopy, the Brunauer-Emmett-Teller method, and X-ray diffraction. At temperatures between 300 and 500 °C, porous amorphous alumina formed from the dehydration of gibbsite, resulting in increased specific surface area of the feed (∼8 m2 g-1). The high-surface-area amorphous alumina formed in this manner could potentially stop salt migration in the cold cap during nuclear waste vitrification.

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

Transformation processes during annealing of Al-amorphous alloys

International Nuclear Information System (INIS)

Petrescu, N.; Petrescu, M.; Calin, M.; Jianu, A.D.; Fecioru, M.

1993-01-01

As the amorphous aluminum alloys represent the newest achievement in rapid solidification of Al-based high strength heat resistent materials, a study was undertaken on the amorphous alloys in the Al-RE-TM system, the rare-earth metal being a lanthanide mixture and the transition metal a Ni-Fe substitution in definite proportions. The decomposition on heating of the most highly alloyed amorphous alloy in the investigated series is characterized by differential thermal analysis, electron microscopy and X-ray diffraction. (orig.)

Transformation processes during annealing of Al-amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Petrescu, N. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania)); Petrescu, M. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania)); Calin, M. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania)); Jianu, A.D. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania) IFTM-Bucharest (Romania)); Fecioru, M. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania) DACIA Enterprise-Bucharest (Romania))

1993-11-01

As the amorphous aluminum alloys represent the newest achievement in rapid solidification of Al-based high strength heat resistent materials, a study was undertaken on the amorphous alloys in the Al-RE-TM system, the rare-earth metal being a lanthanide mixture and the transition metal a Ni-Fe substitution in definite proportions. The decomposition on heating of the most highly alloyed amorphous alloy in the investigated series is characterized by differential thermal analysis, electron microscopy and X-ray diffraction. (orig.).

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

Collapse of the 2017 Winter Beaufort High: A Response to Thinning Sea Ice?

Science.gov (United States)

Moore, G. W. K.; Schweiger, A.; Zhang, J.; Steele, M.

2018-03-01

The winter Arctic atmosphere is under the influence of two very different circulation systems: extratropical cyclones travel along the primary North Atlantic storm track from Iceland toward the eastern Arctic, while the western Arctic is characterized by a quasi-stationary region of high pressure known as the Beaufort High. The winter (January through March) of 2017 featured an anomalous reversal of the normally anticyclonic surface winds and sea ice motion in the western Arctic. This reversal can be traced to a collapse of the Beaufort High as the result of the intrusion of low-pressure systems from the North Atlantic, along the East Siberian Coast, into the Arctic Basin. Thin sea ice as the result of an extremely warm autumn (October through December) of 2016 contributed to the formation of an anomalous thermal low over the Barents Sea that, along with a northward shift of the tropospheric polar vortex, permitted this intrusion. The collapse of the Beaufort High during the winter of 2017 was associated with simultaneous 2-sigma sea level pressure, surface wind, and sea ice circulation anomalies in the western Arctic. As the Arctic sea ice continues to thin, such reversals may become more common and impact ocean circulation, sea ice, and biology.

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.

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.

Effect of Co content on structure and magnetic behaviors of high induction Fe-based amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Roy, Rajat K., E-mail: rajat@nmlindia.org; Panda, Ashis K.; Mitra, Amitava

2016-11-15

The replacement of Fe with Co is investigated in the (Fe{sub 1−x}Co{sub x}){sub 79}Si{sub 8.5}B{sub 8.5}Nb{sub 3}Cu{sub 1} (x=0, 0.05, 0.2, 0.35, 0.5) amorphous alloys. The alloys are synthesized in the forms of ribbons by single roller melt spinning technique, and the structural and magnetic properties of annealed ribbons are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and vibrating sample magnetometer (VSM), B–H curve tracer, respectively. All as-cast alloys are structurally amorphous, however, their magnetic properties are varying with Co addition. The Co addition within 5–20 at% results in moderate thermal stability, saturation induction, Curie temperature and lowest coercivity, while 35 at% Co causes highest saturation induction, coercivity, Curie temperature and lowest thermal stability. On devitrification, the magnetic properties change with the generation of α-FeCo nanocrystallites and (FeCo){sub 23}B{sub 6}, Fe{sub 2}B phases during primary and secondary crystallization stages, respectively. A small amount Co is advantageous for maintaining finer nanocrystallites in amorphous matrix even after annealing at 600 °C, leading to high saturation magnetization (>1.5 T) and low coercivity (~35 A/m). The improved magnetic properties at elevated temperatures indicate these alloys have a potential for high frequency transformer core applications. - Highlights: • The structural and magnetic behaviors of Fe based amorphous alloys have been investigated with the effect of Co content. • The Co has no adverse effect on amorphization of alloys. • A small amount Co causes the superior improvement of magnetic properties at elevated temperatures. • Therefore, it is important not only for academic research but also for industrial applied research.

Analysis of dynamic recrystallization of ice from EBSD orientation mapping

Directory of Open Access Journals (Sweden)

Maurine eMontagnat

2015-12-01

Full Text Available We present high resolution observations of microstructure and texture evolution during dynamicrecrystallization (DRX of ice polycrystals deformed in the laboratory at high temperature(≈0.98Tm. Ice possesses a significant viscoplastic anisotropy that induces strong strainheterogeneities, which result in an early occurrence of DRX mechanisms. It is thereforea model material to explore these mechanisms. High resolution c-axis measurements atsample scale by optical techniques and full crystallographic orientation measurements by cryo-Electron Back Scattering Diffraction (EBSD provide a solid database for analyzing the relativeimpact of the macroscopic imposed stress versus the local and internal stress field on DRXmechanisms. Analysis of misorientation gradients in the EBSD data highlights a heterogeneousdislocation distribution, which is quantified by the Nye tensor estimation. Joint analyses of thedislocation density maps and microstructural observations highlight spatial correlation betweenhigh dislocation density sites and the onset of nucleation taking place by grain-boundary bulging,subgrain rotation or by the formation of kink-bands.

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.

Arctic sea-ice ridges—Safe heavens for sea-ice fauna during periods of extreme ice melt?

Science.gov (United States)

Gradinger, Rolf; Bluhm, Bodil; Iken, Katrin

2010-01-01

The abundances and distribution of metazoan within-ice meiofauna (13 stations) and under-ice fauna (12 stations) were investigated in level sea ice and sea-ice ridges in the Chukchi/Beaufort Seas and Canada Basin in June/July 2005 using a combination of ice coring and SCUBA diving. Ice meiofauna abundance was estimated based on live counts in the bottom 30 cm of level sea ice based on triplicate ice core sampling at each location, and in individual ice chunks from ridges at four locations. Under-ice amphipods were counted in situ in replicate ( N=24-65 per station) 0.25 m 2 quadrats using SCUBA to a maximum water depth of 12 m. In level sea ice, the most abundant ice meiofauna groups were Turbellaria (46%), Nematoda (35%), and Harpacticoida (19%), with overall low abundances per station that ranged from 0.0 to 10.9 ind l -1 (median 0.8 ind l -1). In level ice, low ice algal pigment concentrations (Turbellaria, Nematoda and Harpacticoida also were observed in pressure ridges (0-200 ind l -1, median 40 ind l -1), although values were highly variable and only medians of Turbellaria were significantly higher in ridge ice than in level ice. Median abundances of under-ice amphipods at all ice types (level ice, various ice ridge structures) ranged from 8 to 114 ind m -2 per station and mainly consisted of Apherusa glacialis (87%), Onisimus spp. (7%) and Gammarus wilkitzkii (6%). Highest amphipod abundances were observed in pressure ridges at depths >3 m where abundances were up to 42-fold higher compared with level ice. We propose that the summer ice melt impacted meiofauna and under-ice amphipod abundance and distribution through (a) flushing, and (b) enhanced salinity stress at thinner level sea ice (less than 3 m thickness). We further suggest that pressure ridges, which extend into deeper, high-salinity water, become accumulation regions for ice meiofauna and under-ice amphipods in summer. Pressure ridges thus might be crucial for faunal survival during periods of

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

Science.gov (United States)

Wolstencroft, Martin; King, Matt A.; Whitehouse, Pippa L.; Bentley, Michael J.; Nield, Grace A.; King, Edward C.; McMillan, Malcolm; Shepherd, Andrew; Barletta, Valentina; Bordoni, Andrea; Riva, Riccardo E. M.; Didova, Olga; Gunter, Brian C.

2015-10-01

The measurement of ongoing ice-mass loss and associated melt water contribution to sea-level change from regions such as West Antarctica is dependent on a combination of remote sensing methods. A key method, the measurement of changes in Earth's gravity via the GRACE satellite mission, requires a potentially large correction to account for the isostatic response of the solid Earth to ice-load changes since the Last Glacial Maximum. In this study, we combine glacial isostatic adjustment modelling with a new GPS dataset of solid Earth deformation for the southern Antarctic Peninsula to test the current understanding of ice history in this region. A sufficiently complete history of past ice-load change is required for glacial isostatic adjustment models to accurately predict the spatial variation of ongoing solid Earth deformation, once the independently-constrained effects of present-day ice mass loss have been accounted for. Comparisons between the GPS data and glacial isostatic adjustment model predictions reveal a substantial misfit. The misfit is localized on the southwestern Weddell Sea, where current ice models under-predict uplift rates by approximately 2 mm yr-1. This under-prediction suggests that either the retreat of the ice sheet grounding line in this region occurred significantly later in the Holocene than currently assumed, or that the region previously hosted more ice than currently assumed. This finding demonstrates the need for further fieldwork to obtain direct constraints on the timing of Holocene grounding line retreat in the southwestern Weddell Sea and that GRACE estimates of ice sheet mass balance will be unreliable in this region until this is resolved.

High-frequency permeability in double-layered structure of amorphous Co-Ta-Zr films

International Nuclear Information System (INIS)

Ochiai, Y.; Hayakawa, M.; Hayashi, K.; Aso, K.

1988-01-01

The high-frequency permeability of amorphous Co-Ta-Zr films was studied and the frequency dependence was described in terms of the eddy-current-loss formula. For the double-layered structure intervened with SiO 2 film, the degradation of the permeability became apparent with the decrease of SiO 2 thickness

Permeation of Light Gases through Hexagonal Ice

Directory of Open Access Journals (Sweden)

Luis Gales

2012-09-01

Full Text Available Gas separation using porous solids have attracted great attention due to their energetic applications. There is an enormous economic and environmental interest in the development of improved technologies for relevant processes, such as H₂ production, CO₂ separation or O₂ and N₂ purification from air. New materials are needed for achieving major improvements. Crystalline materials, displaying unidirectional and single-sized pores, preferentially with low pore tortuosity and high pore density, are promising candidates for membrane synthesis. Herein, we study hexagonal ice crystals as an example of this class of materials. By slowly growing ice crystals inside capillary tubes we were able to measure the permeation of several gas species through ice crystals and investigate its relation with both the size of the guest molecules and temperature of the crystal.

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.

Mapping the depth to ice-cemented ground in the high elevation Dry Valleys, Antarctica

Science.gov (United States)

Marinova, M.; McKay, C. P.; Heldmann, J. L.; Davila, A. F.; Andersen, D. T.; Jackson, A.; Lacelle, D.; Paulsen, G.; Pollard, W. H.; Zacny, K.

2011-12-01

The high elevation Dry Valleys of Antarctica provide a unique location for the study of permafrost distribution and stability. In particular, the extremely arid and cold conditions preclude the presence of liquid water, and the exchange of water between the ice-cemented ground and the atmosphere is through vapour transport (diffusion). In addition, the low atmospheric humidity results in the desiccation of the subsurface, forming a dry permafrost layer (i.e., cryotic soils which are dry and not ice-cemented). Weather data suggests that subsurface ice is unstable under current climatic conditions. Yet we do find ice-cemented ground in these valleys. This contradiction provides insight into energy balance modeling, vapour transport, and additional climate effects which stabilize subsurface ice. To study the driving factors in the stability and distribution of ice-cemented ground, we have extensively mapped the depth to ice-cemented ground in University Valley (1730 m; 77°S 51.8', 160°E 43'), and three neighbouring valleys in the Beacon Valley area. We measured the depth to ice-cemented ground at 15-40 locations per valley by digging soil pits and drilling until ice was reached; for each location 3-5 measurements within a ~1 m2 area were averaged (see figure). This high-resolution mapping of the depth to ice-cemented ground provides new insight on the distribution and stability of subsurface ice, and shows significant variability in the depth to ground ice within each valley. We are combining data from mapping the depth to ice-cemented ground with year-round, in situ measurements of the atmospheric and subsurface conditions, such as temperature, humidity, wind, and light, to model the local stability of ice-cemented ground. We are using this dataset to examine the effects of slopes, shading, and soil properties, as well as the suggested importance of snow recurrence, to better understand diffusion-controlled subsurface ice stability.

Impurity-defect complexes in hydrogenated amorphous silicon

International Nuclear Information System (INIS)