WorldWideScience

Sample records for nonporous amorphous water

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

    CERN Document Server

    He, Jiao; Vidali, Gianfranco

    2016-01-01

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

  2. Diffusion and Clustering of Carbon Dioxide on non-porous Amorphous Solid Water

    CERN Document Server

    He, Jiao; Vidali, Gianfranco

    2016-01-01

    Observations by ISO and Spitzer towards young stellar objects (YSOs) showed that CO$_2$ segregates in the icy mantles covering dust grains. Thermal processing of ice mixture was proposed as responsible for the segregation. Although several laboratory studied thermally induced segregation, a satisfying quantification is still missing. We propose that the diffusion of CO$_2$ along pores inside water ice is the key to quantify segregation. We combined Temperature Programmed Desorption (TPD) and Reflection Absorption InfraRed Spectroscopy (RAIRS) to study how CO$_2$ molecules interact on a non-porous amorphous solid water (np-ASW) surface. We found that CO$_2$ diffuses significantly on a np-ASW surface above 65~K and clusters are formed at well below one monolayer. A simple rate equation simulation finds that the diffusion energy barrier of CO$_2$ on np-ASW is 2150$\\pm$50 K, assuming a diffusion pre-exponential factor of 10$^{12}$ s$^{-1}$. This energy should also apply to the diffusion of CO$_2$ on wall of pores...

  3. Diffusion and Clustering of Carbon Dioxide on Non-porous Amorphous Solid Water

    Science.gov (United States)

    He, Jiao; Emtiaz, Shahnewaj M.; Vidali, Gianfranco

    2017-03-01

    Observations by ISO and Spitzer toward young stellar objects showed that CO2 segregates in the icy mantles covering dust grains. Thermal processing of the ice mixture was proposed as being responsible for the segregation. Although several laboratories studied thermally induced segregation, a satisfying quantification is still missing. We propose that the diffusion of CO2 along pores inside water ice is the key to quantify segregation. We combined Temperature Programmed Desorption and Reflection Absorption InfraRed Spectroscopy to study how CO2 molecules interact on a non-porous amorphous solid water (np-ASW) surface. We found that CO2 diffuses significantly on an np-ASW surface above 65 K and clusters are formed at well below one monolayer. A simple rate equation simulation finds that the diffusion energy barrier of CO2 on np-ASW is 2150 ± 50 K, assuming a diffusion pre-exponential factor of 1012 s‑1. This energy should also apply to the diffusion of CO2 on the wall of pores. The binding energy of CO2 from CO2 clusters and CO2 from H2O ice has been found to be 2415 ± 20 K and 2250 ± 20 K, respectively, assuming the same prefactor for desorption. CO2–CO2 interaction is stronger than CO2–H2O interaction, in agreement with the experimental finding that CO2 does not wet the np-ASW surface. For comparison, we carried out similar experiments with CO on np-ASW, and found that the CO–CO interaction is always weaker than CO–H2O. As a result, CO wets the np-ASW surface. This study should be of help to uncover the thermal history of CO2 on the icy mantles of dust grains.

  4. Amorphous Solid Water:

    DEFF Research Database (Denmark)

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

    1975-01-01

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

  5. Amorphization of Crystalline Water Ice

    CERN Document Server

    Zheng, Weijun; Kaiser, Ralf I

    2008-01-01

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

  6. Persistence of the 2009 pandemic influenza A (H1N1 virus in water and on non-porous surface.

    Directory of Open Access Journals (Sweden)

    Amélie Dublineau

    Full Text Available Knowledge of influenza A virus survival in different environmental conditions is a key element for the implementation of hygiene and personal protection measures by health authorities. As it is dependent on virus isolates even within the same subtype, we studied the survival of the 2009 H1N1 pandemic (H1N1pdm virus in water and on non-porous surface. The H1N1pdm virus was subjected to various environmental parameters over time and tested for infectivity. In water, at low and medium salinity levels and 4°C, virus survived at least 200 days. Increasing temperature and salinity had a strong negative effect on the survival of the virus which remained infectious no more than 1 day at 35°C and 270 parts per thousand (ppt of salt. Based on modeled data, the H1N1pdm virus retained its infectivity on smooth non-porous surface for at least 7 days at 35°C and up to 66 days at 4°C. The H1N1pdm virus has thus the ability to persist in water and on glass surface for extended periods of time, even at 35°C. Additional experiments suggest that external viral structures in direct contact with the environment are mostly involved in loss of virus infectivity.

  7. Influence of compression on water sorption, glass transition, and enthalpy relaxation behavior of freeze-dried amorphous sugar matrices.

    Science.gov (United States)

    Imamura, Koreyoshi; Kagotani, Ryo; Nomura, Mayo; Tanaka, Kazuhiro; Kinugawa, Kohshi; Nakanishi, Kazuhiro

    2011-04-15

    An amorphous matrix comprised of sugar molecules are frequently used in the pharmaceutical industry. The compression of the amorphous sugar matrix improves the handling. Herein, the influence of compression on the water sorption of an amorphous sugar matrix was investigated. Amorphous sugar samples were prepared by freeze-drying, using several types of sugars, and compressed at 0-443 MPa. The compressed amorphous sugar samples as well as uncompressed samples were rehumidified at given RHs, and the equilibrium water content and glass transition temperature (T(g)) were then measured. Compression resulted in a decrease in the equilibrium water content of the matrix, the magnitude of which was more significant for smaller sized sugars. Diffusivity of water vapor in the sample was also decreased to one-hundredth by the compression. The T(g) value for a given RH remained unchanged, irrespective of the compression. Accordingly, the decrease in T(g) with increasing water content increased as the result of compression. The structural relaxation of the amorphous sugar matrices were also examined and found to be accelerated to the level of a non-porous amorphous sugar matrix as the result of the compression. The findings indicate that pores contained in freeze-dried sugar samples interfere with the propagation of structural relaxation.

  8. Thermal desorption characteristics of CO, O2 and CO2 on non-porous water, crystalline water and silicate surfaces at sub-monolayer and multilayer coverages

    CERN Document Server

    Noble, J A; Dulieu, F; Fraser, H J

    2011-01-01

    The desorption characteristics of molecules on interstellar dust grains are important for modelling the behaviour of molecules in icy mantles and, critically, in describing the solid-gas interface. In this study, a series of laboratory experiments exploring the desorption of three small molecules from three astrophysically relevant surfaces are presented. The desorption of CO, O2 and CO2 at both sub-monolayer and multilayer coverages was investigated from non-porous water, crystalline water and silicate surfaces. Experimental data was modelled using the Polanyi-Wigner equation to produce a mathematical description of the desorption of each molecular species from each type of surface, uniquely describing both the monolayer and multilayer desorption in a single combined model. The implications of desorption behaviour over astrophysically relevant timescales are discussed.

  9. Amorphous silica scale in cooling waters

    Energy Technology Data Exchange (ETDEWEB)

    Midkiff, W.S.; Foyt, H.P.

    1976-01-01

    In 1968, most of the evaporation cooled recirculating water systems at Los Alamos Scientific Laboratory were nearly inoperable due to scale. These systems, consisting of cooling towers, evaporative water coolers, evaporative condensers, and air washers had been operated on continuous blowdown without chemical treatment. The feedwater contained 80 mg/l silica. A successful program of routine chemical addition in the make-up water was begun. Blends of chelants, dispersants and corrosion inhibitors were found to gradually remove old scale, prevent new scale, and keep corrosion to less than an indicated rate of one mil per year. An explanation has been proposed that amorphous silica by itself does not form a troublesome scale. When combined with a crystal matrix such as calcite, the resultant silica containing scale can be quite troublesome. Rapid buildup of silica containing scale can be controlled and prevented by preventing formation of crystals from other constituents in the water such as hardness or iron. (auth)

  10. 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

  11. Amorphous ruthenium nanoparticles for enhanced electrochemical water splitting

    Science.gov (United States)

    Tee, Si Yin; Lee, Coryl Jing Jun; Safari Dinachali, Saman; Lai, Szu Cheng; Williams, Evan Laurence; Luo, He-Kuan; Chi, Dongzhi; Hor, T. S. Andy; Han, Ming-Yong

    2015-10-01

    This paper demonstrates an optimized fabrication of amorphous Ru nanoparticles through annealing at various temperatures ranging from 150 to 700 °C, which are used as water oxidation catalyst for effective electrochemical water splitting under a low overpotential of less than 300 mV. The amorphous Ru nanoparticles with short-range ordered structure exhibit an optimal and stable electrocatalytic activity after annealing at 250 °C. Interestingly, a small quantity of such Ru nanoparticles in a thin film on fluorine-doped tin oxide glass is also effectively driven by a conventional crystalline silicon solar cell that has excellent capability for harvesting visible light. Remarkably, it achieves an overall solar-to-hydrogen efficiency of 11.3% in acidic electrolyte.

  12. Dynamics of CO in Amorphous Water Ice Environments

    CERN Document Server

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

    2013-01-01

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

  13. Low energy charged particles interacting with amorphous solid water layers

    Energy Technology Data Exchange (ETDEWEB)

    Horowitz, Yonatan; Asscher, Micha [Institute of Chemistry, Hebrew University of Jerusalem, Edmund J. Safra Campus, Givat-Ram, Jerusalem 91904 (Israel)

    2012-04-07

    The interaction of charged particles with condensed water films has been studied extensively in recent years due to its importance in biological systems, ecology as well as interstellar processes. We have studied low energy electrons (3-25 eV) and positive argon ions (55 eV) charging effects on amorphous solid water (ASW) and ice films, 120-1080 ML thick, deposited on ruthenium single crystal under ultrahigh vacuum conditions. Charging the ASW films by both electrons and positive argon ions has been measured using a Kelvin probe for contact potential difference (CPD) detection and found to obey plate capacitor physics. The incoming electrons kinetic energy has defined the maximum measurable CPD values by retarding further impinging electrons. L-defects (shallow traps) are suggested to be populated by the penetrating electrons and stabilize them. Low energy electron transmission measurements (currents of 0.4-1.5 {mu}A) have shown that the maximal and stable CPD values were obtained only after a relatively slow change has been completed within the ASW structure. Once the film has been stabilized, the spontaneous discharge was measured over a period of several hours at 103 {+-} 2 K. Finally, UV laser photo-emission study of the charged films has suggested that the negative charges tend to reside primarily at the ASW-vacuum interface, in good agreement with the known behavior of charged water clusters.

  14. Low energy charged particles interacting with amorphous solid water layers

    Science.gov (United States)

    Horowitz, Yonatan; Asscher, Micha

    2012-04-01

    The interaction of charged particles with condensed water films has been studied extensively in recent years due to its importance in biological systems, ecology as well as interstellar processes. We have studied low energy electrons (3-25 eV) and positive argon ions (55 eV) charging effects on amorphous solid water (ASW) and ice films, 120-1080 ML thick, deposited on ruthenium single crystal under ultrahigh vacuum conditions. Charging the ASW films by both electrons and positive argon ions has been measured using a Kelvin probe for contact potential difference (CPD) detection and found to obey plate capacitor physics. The incoming electrons kinetic energy has defined the maximum measurable CPD values by retarding further impinging electrons. L-defects (shallow traps) are suggested to be populated by the penetrating electrons and stabilize them. Low energy electron transmission measurements (currents of 0.4-1.5 μA) have shown that the maximal and stable CPD values were obtained only after a relatively slow change has been completed within the ASW structure. Once the film has been stabilized, the spontaneous discharge was measured over a period of several hours at 103 ± 2 K. Finally, UV laser photo-emission study of the charged films has suggested that the negative charges tend to reside primarily at the ASW-vacuum interface, in good agreement with the known behavior of charged water clusters.

  15. Amorphous and polycrystalline water ices in space environments

    Science.gov (United States)

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

    2016-07-01

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

  16. Amino acids as co-amorphous stabilizers for poorly water-soluble drugs - Part 2

    DEFF Research Database (Denmark)

    Löbmann, K.; Laitinen, R.; Strachan, C.

    2013-01-01

    The formation of co-amorphous drug-drug mixtures has proved to be a powerful approach to stabilize the amorphous form and at the same time increase the dissolution of poorly water-soluble drugs. Molecular interactions in these co-amorphous formulations can play a crucial role in stabilization...... and dissolution enhancement. In this regard, Fourier-transform infrared spectroscopy (FTIR) is a valuable tool to analyze the molecular near range order of the compounds in the co-amorphous mixtures. In this study, several co-amorphous drugs - low molecular weight excipient blends - have been analyzed with FTIR...... spectroscopy. Molecular interactions of the drugs carbamazepine and indomethacin with the amino acids arginine, phenylalanine, and tryptophan were investigated. The amino acids were chosen from the biological target site of both drugs and prepared as co-amorphous formulations together with the drugs...

  17. Heterogeneity of the state and functionality of water molecules sorbed in an amorphous sugar matrix.

    Science.gov (United States)

    Imamura, Koreyoshi; Kagotani, Ryo; Nomura, Mayo; Kinugawa, Kohshi; Nakanishi, Kazuhiro

    2012-04-01

    An amorphous matrix, comprised of sugar molecules, is frequently used in the pharmaceutical industry. An amorphous sugar matrix exhibits high hygroscopicity, and it has been established that the sorbed water lowers the glass transition temperature T(g) of the amorphous sugar matrix. It is naturally expected that the random allocation and configuration of sugar molecules would result in heterogeneity of states for sorbed water. However, most analyses of the behavior of water, when sorbed to an amorphous sugar matrix, have implicitly assumed that all of the sorbed water molecules are in a single state. In this study, the states of water molecules sorbed in an amorphous sugar matrix were analyzed by Fourier-transform IR spectroscopy and a Fourier self-deconvolution technique. When sorbed water molecules were classified into five states, according to the extent to which they are restricted, three of the states resulted in a lowering of T(g) of an amorphous sugar matrix, while the other two were independent of the plasticization of the matrix. This finding provides an explanation for the paradoxical fact that compression at several hundreds of MPa significantly decreases the equilibrium water content at a given RH, while the T(g) remains unchanged.

  18. Water migration mechanisms in amorphous powder material and related agglomeration

    NARCIS (Netherlands)

    Renzetti, S.; Voogt, J.A.; Oliver, L.; Meinders, M.B.J.

    2012-01-01

    The agglomeration phenomenon of amorphous particulate material is a major problem in the food industry. Currently, the glass transition temperature (Tg) is used as a fundamental parameter to describe and control agglomeration. Models are available that describe the kinetics of the agglomeration proc

  19. Evaporation of HD Droplets From Nonporous, Inert Surfaces in TGA Microbalance Wind Tunnels

    Science.gov (United States)

    2008-09-01

    2007 4. TITLE AND SUBTITLE Evaporation of HD Droplets from Nonporous, Inert Surfaces in TGA Microbalancc Wind Tunnels 5a. CONTRACT NUMBER DAAD13...hr (lightly swirled on a rotating plateau). Then, the glass was rinsed with dematerialized water and dried (using appropriate fat-free non-felting

  20. Wettability and surface chemistry of crystalline and amorphous forms of a poorly water soluble drug.

    Science.gov (United States)

    Puri, Vibha; Dantuluri, Ajay K; Kumar, Mahesh; Karar, N; Bansal, Arvind K

    2010-05-12

    The present study compares energetics of wetting behavior of crystalline and amorphous forms of a poorly water soluble drug, celecoxib (CLB) and attempts to correlate it to their surface molecular environment. Wettability and surface free energy were determined using sessile drop contact angle technique and water vapor sorption energetics was measured by adsorption calorimetry. The surface chemistry was elucidated by X-ray photoelectron spectroscopy (XPS) and crystallographic evaluation. The two solid forms displayed distinctly different wetting with various probe liquids and in vitro dissolution media. The crystalline form surface primarily exhibited dispersive surface energy (47.3mJ/m(2)), while the amorphous form had a slightly reduced dispersive (45.2mJ/m(2)) and a small additional polar (4.8mJ/m(2)) surface energy. Calorimetric measurements, revealed the amorphous form to possess a noticeably high differential heat of absorption, suggesting hydrogen bond interactions between its polar energetic sites and water molecules. Conversely, the crystalline CLB form was found to be inert to water vapor sorption. The relatively higher surface polarity of the amorphous form could be linked to its greater oxygen-to-fluorine surface concentration ratio of 1.27 (cf. 0.62 for crystalline CLB), as determined by XPS. The crystallographic studies of the preferred cleavage plane (020) of crystalline CLB further supported its higher hydrophobicity. In conclusion, the crystalline and amorphous forms of CLB exhibited disparate surface milieu, which in turn can have implications on the surface mediated events.

  1. Phase separation kinetics in amorphous solid dispersions upon exposure to water.

    Science.gov (United States)

    Purohit, Hitesh S; Taylor, Lynne S

    2015-05-04

    The purpose of this study was to develop a novel fluorescence technique employing environment-sensitive fluorescent probes to study phase separation kinetics in hydrated matrices of amorphous solid dispersions (ASDs) following storage at high humidity and during dissolution. The initial miscibility of the ASDs was confirmed using infrared (IR) spectroscopy and differential scanning calorimetry (DSC). Fluorescence spectroscopy, as an independent primary technique, was used together with conventional confirmatory techniques including DSC, X-ray diffraction (XRD), fluorescence microscopy, and IR spectroscopy to study phase separation phenomena. By monitoring the emission characteristics of the environment-sensitive fluorescent probes, it was possible to successfully monitor amorphous-amorphous phase separation (AAPS) as a function of time in probucol-poly(vinylpyrrolidone) (PVP) and ritonavir-PVP ASDs after exposure to water. In contrast, a ritonavir-hydroxypropylmethylcellulose acetate succinate (HPMCAS) ASD, did not show AAPS and was used as a control to demonstrate the capability of the newly developed fluorescence method to differentiate systems that showed no phase separation following exposure to water versus those that did. The results from the fluorescence studies were in good agreement with results obtained using various other complementary techniques. Thus, fluorescence spectroscopy can be utilized as a fast and efficient tool to detect and monitor the kinetics of phase transformations in amorphous solid dispersions during hydration and will help provide mechanistic insight into the stability and dissolution behavior of amorphous solid dispersions.

  2. 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

    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......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 ball milling and investigated for solid state characteristics, stability and the dissolution rate enhancement of NAP. All co-amorphous mixtures were stable at room temperature and 40 °C for a minimum of 84 days. PRO acted as a stabilizer for the co-amorphous system, including NAP–TRP, through enhancing...

  3. Unification of catalytic water oxidation and oxygen reduction reactions: amorphous beat crystalline cobalt iron oxides.

    Science.gov (United States)

    Indra, Arindam; Menezes, Prashanth W; Sahraie, Nastaran Ranjbar; Bergmann, Arno; Das, Chittaranjan; Tallarida, Massimo; Schmeißer, Dieter; Strasser, Peter; Driess, Matthias

    2014-12-17

    Catalytic water splitting to hydrogen and oxygen is considered as one of the convenient routes for the sustainable energy conversion. Bifunctional catalysts for the electrocatalytic oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER) are pivotal for the energy conversion and storage, and alternatively, the photochemical water oxidation in biomimetic fashion is also considered as the most useful way to convert solar energy into chemical energy. Here we present a facile solvothermal route to control the synthesis of amorphous and crystalline cobalt iron oxides by controlling the crystallinity of the materials with changing solvent and reaction time and further utilize these materials as multifunctional catalysts for the unification of photochemical and electrochemical water oxidation as well as for the oxygen reduction reaction. Notably, the amorphous cobalt iron oxide produces superior catalytic activity over the crystalline one under photochemical and electrochemical water oxidation and oxygen reduction conditions.

  4. Molecular dynamics study of oil detachment from an amorphous silica surface in water medium

    Science.gov (United States)

    Chen, Jiaxuan; Si, Hao; Chen, Wenyang

    2015-10-01

    In this paper, the mechanism of oil detachment from optical glass in water medium is studied by using molecular dynamics simulation. At the beginning, some undecane molecules are adsorbed on the amorphous silica surface to get contaminated glass. Upon addition of 6000 water molecules, most of the undecane molecules on the substrate surface can be detached from an amorphous silica surface through three stages. The formation of different directions of water channels is vital for oil detachment. The electrostatic interaction of water substrate contributes to disturbing the aggregates of undecane molecules and the H-bonding interaction between the water molecules is helpful for the oil puddle away from the substrate. However, there is still some oil molecules residue on the substrate surface after water cleaning. The simulation results showed that the specific ring potential well of amorphous silica surface will hinder the detachment of oil molecules. We also find that the formation of the specific ring potential well is related to the number of atoms and the average radius in silica atomic rings. Increasing the upward lift force, which acts on the hydrocarbon tail of oil molecules, will be benefit to clear the oil pollution residues from the glass surface.

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

    Science.gov (United States)

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

    2017-01-01

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

  6. Water-borne pressure-sensitive adhesives acrylics modified using amorphous silica nanoparticles

    Directory of Open Access Journals (Sweden)

    Czech Zbigniew

    2016-12-01

    Full Text Available The application of water-borne pressure-sensitive adhesives (PSA based on acrylics is increasing in a variety of industrial areas. The have been used for manufacturing of double sided and carrier free mounting tapes, splicing tapes, marking and sign films, self-adhesive labels, packaging tapes, protective films and diverse high quality medical materials. Nano-sized inorganic fillers can modify diverse adhesive and self-adhesive coating properties such as tack, peel adhesion, shear strength at 20°C and 70°C, and removability Amorphous synthetic silica nanoparticles in form of water dispersions: Ludox PX-30 (30 wt.% silica stabilizing with counter ion sodium, Ludox PT-40 (40 wt.% silica stabilizing with counter ion sodium, Ludox PT-40AS (40 wt.% silica stabilizing with counter ion ammonium, and Ludox PW-50 (50 wt.% silica stabilizing with counter ion sodium (from Grace in concentrations between 1 and 5wt.% were used for modifying of water-born pressure-sensitive adhesive acrylics: Acronal 052, Acronal CR 516 (both BASF and Plextol D273 (Synthomer properties. It has been found in this study that the nano-technologically reinforced system containing of Acronal 052 and amorphous silica Ludox PX-30 showed a great enhancement in tack, peel adhesion and shear strength. In this paper we evaluate the performance of Acronal 052 modified with amorphous silica Ludox PX-30.

  7. Thermodynamics of water-solid interactions in crystalline and amorphous pharmaceutical materials.

    Science.gov (United States)

    Sacchetti, Mark

    2014-09-01

    Pharmaceutical materials, crystalline and amorphous, sorb water from the atmosphere, which affects critical factors in the development of drugs, such as the selection of drug substance crystal form, compatibility with excipients, dosage form selection, packaging, and product shelf-life. It is common practice to quantify the amount of water that a material sorbs at a given relative humidity (RH), but the results alone provide minimal to no physicochemical insight into water-solid interactions, without which pharmaceutical scientists cannot develop an understanding of their materials, so as to anticipate and circumvent potential problems. This research was conducted to advance the science of pharmaceutical materials by examining the thermodynamics of solids with sorbed water. The compounds studied include nonhygroscopic drugs, a channel hydrate drug, a stoichiometric hydrate excipient, and an amorphous excipient. The water sorption isotherms were measured over a range of temperature to extract the partial molar enthalpy and entropy of sorbed water as well as the same quantities for some of the solids. It was found that water-solid interactions spanned a range of energy and entropy as a function of RH, which was unique to the solid, and which could be valuable in identifying batch-to-batch differences and effects of processing in material performance.

  8. Amino acids as co-amorphous stabilizers for poorly water soluble drugs--Part 1

    DEFF Research Database (Denmark)

    Löbmann, Korbinian; Grohganz, Holger; Laitinen, Riikka

    2013-01-01

    . However, this strategy only led to a small number of marketed products usually because of inadequate physical stability of the drug (crystallization). In this study, we investigated a fundamentally different approach to stabilize the amorphous form of drugs, namely the use of amino acids as small...... molecular weight excipients that form specific molecular interactions with the drug resulting in co-amorphous forms. The two poorly water soluble drugs carbamazepine and indomethacin were combined with amino acids from the binding sites of the biological receptors of these drugs. Mixtures of drug...... and the amino acids arginine, phenylalanine, tryptophan and tyrosine were prepared by vibrational ball milling. Solid-state characterization with X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) revealed that the various blends could be prepared as homogeneous, single phase co...

  9. Amine modification of nonporous silica nanoparticles reduces inflammatory response following intratracheal instillation in murine lungs.

    Science.gov (United States)

    Morris, Angie S; Adamcakova-Dodd, Andrea; Lehman, Sean E; Wongrakpanich, Amaraporn; Thorne, Peter S; Larsen, Sarah C; Salem, Aliasger K

    2016-01-22

    Amorphous silica nanoparticles (NPs) possess unique material properties that make them ideal for many different applications. However, the impact of these materials on human and environmental health needs to be established. We investigated nonporous silica NPs both bare and modified with amine functional groups (3-aminopropyltriethoxysilane (APTES)) in order to evaluate the effect of surface chemistry on biocompatibility. In vitro data showed there to be little to no cytotoxicity in a human lung cancer epithelial cell line (A549) for bare silica NPs and amine-functionalized NPs using doses based on both mass concentration (below 200μg/mL) and exposed total surface area (below 14m(2)/L). To assess lung inflammation, C57BL/6 mice were administered bare or amine-functionalized silica NPs via intra-tracheal instillation. Two doses (0.1 and 0.5mg NPs/mouse) were tested using the in vivo model. At the higher dose used, bare silica NPs elicited a significantly higher inflammatory response, as evidence by increased neutrophils and total protein in bronchoalveolar lavage (BAL) fluid compared to amine-functionalized NPs. From this study, we conclude that functionalization of nonporous silica NPs with APTES molecules reduces murine lung inflammation and improves the overall biocompatibility of the nanomaterial.

  10. Improving Co-Amorphous Drug Formulations by the Addition of the Highly Water Soluble Amino Acid, Proline

    Directory of Open Access Journals (Sweden)

    Katrine Tarp Jensen

    2014-07-01

    Full Text Available 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 by ball milling and investigated for solid state characteristics, stability and the dissolution rate enhancement of NAP. All co-amorphous mixtures were stable at room temperature and 40 °C for a minimum of 84 days. PRO acted as a stabilizer for the co-amorphous system, including NAP–TRP, through enhancing 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 soluble amino acid, PRO, improved the dissolution rate of NAP from the ternary co-amorphous systems in combination with either TRP or ARG. In conclusion, both the solubility of the amino acid and potential interactions between the molecules are critical parameters to consider in the development of co-amorphous formulations.

  11. Amorphous solid dispersions and nano-crystal technologies for poorly water-soluble drug delivery.

    Science.gov (United States)

    Brough, Chris; Williams, R O

    2013-08-30

    Poor water-solubility is a common characteristic of drug candidates in pharmaceutical development pipelines today. Various processes have been developed to increase the solubility, dissolution rate and bioavailability of these active ingredients belonging to BCS II and IV classifications. Over the last decade, nano-crystal delivery forms and amorphous solid dispersions have become well established in commercially available products and industry literature. This article is a comparative analysis of these two methodologies primarily for orally delivered medicaments. The thermodynamic and kinetic theories relative to these technologies are presented along with marketed product evaluations and a survey of commercial relevant scientific literature.

  12. Crystallization and X-ray diffraction of crystals formed in water-plasticized amorphous lactose.

    Science.gov (United States)

    Jouppila, K; Kansikas, J; Roos, Y H

    1998-01-01

    Effects of storage time and relative humidity on crystallization and crystal forms produced from amorphous lactose were investigated. Crystallization was observed from time-dependent loss of sorbed water and increasing intensities of peaks in X-ray diffraction patterns. The rate of crystallization increased with increasing storage relative humidity. Lactose crystallized mainly as alpha-lactose monohydrate and anhydrous crystals with alpha- and beta-lactose in a molar ratio of 5:3. The results suggested that the crystal form was defined by the early nucleation process. The crystallization data are important in modeling of crystallization phenomena and prediction of stability of lactose-containing food and pharmaceutical materials.

  13. Magneto-caloric effect of a Gd50Co50 amorphous alloy near the freezing point of water

    Directory of Open Access Journals (Sweden)

    L. Xia

    2015-09-01

    Full Text Available In the present work, we report the magneto-caloric effect (MCE of a binary Gd50Co50 amorphous alloy near the freezing temperature of water. The Curie temperature of Gd50Co50 amorphous ribbons is about 267.5 K, which is very close to room temperature. The peak value of the magnetic entropy change (-ΔSmpeak and the resulting adiabatic temperature rise (ΔTad. of the Gd50Co50 amorphous ribbons is much higher than that of any other amorphous alloys previously reported with a Tc near room temperature. On the other hand, although the -ΔSmpeak of Gd50Co50 amorphous ribbons is not as high as those of crystalline alloys near room temperature, its refrigeration capacity (RC is still much larger than the RC values of these crystalline alloys. The binary Gd50Co50 amorphous alloy provides a basic alloy for developing high performance multi-component amorphous alloys near room temperature.

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

    Science.gov (United States)

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

    1991-08-01

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

  15. Spontaneous cracking of amorphous solid water films and the dependence on microporous structure

    Science.gov (United States)

    Bu, Caixia; Dukes, Catherine A.; Baragiola, Raúl A.

    2016-11-01

    Vapor-deposited, porous, amorphous, water-ice films, also called amorphous solid water (ASW), crack spontaneously during growth when the film thickness exceeds a critical value (Lc). We measured the Lc during growth of ASW films as a function of growth temperature (Tg = 10 K, 30 K, and 50 K) and deposition angle (θ = 0°, 45°, and 55°) using a quartz crystal microbalance, an optical interferometer, and an infrared spectrometer. The critical thickness, 1-5 μm under our experimental conditions, increases with Tg and θ, an indication of film porosity. We suggest that ASW films undergo tensile stress due to the mismatch between substrate adhesion and contracting forces derived from the incompletely coordinated molecules on the surfaces of the pores. We provide a model to explain the observed dependences of Lc on the Tg and θ in the context of Griffith theory and estimate the tensile strength of low-temperature ASW to be ˜25-40 MPa. Our model can be applied more generally to describe fracture of other solids with microporous structures, such as metallic or ceramic materials with voids.

  16. Arsenic removal from water using a novel amorphous adsorbent developed from coal fly ash.

    Science.gov (United States)

    Zhang, Kaihua; Zhang, Dongxue; Zhang, Kai

    2016-01-01

    A novel effective adsorbent of alumina/silica oxide hydrate (ASOH) for arsenic removal was developed through simple chemical reactions using coal fly ash. The iron-modified ASOH with enhancing adsorption activity was further developed from raw fly ash based on the in situ technique. The adsorbents were characterized by X-ray diffraction, Fourier transform infrared spectrometry, scanning electron micrograph, laser particle size and Brunauer-Emmet-Teller surface area. The results show that the adsorbents are in amorphous and porous structure, the surface areas of which are 8-12 times that of the raw ash. The acidic hydrothermal treatment acts an important role in the formation of the amorphous structure of ASOH rather than zeolite crystal. A series of adsorption experiments for arsenic on them were studied. ASOH can achieve a high removal efficiency for arsenic of 96.4% from water, which is more than 2.5 times that of the raw ash. Iron-modified ASOH can enhance the removal efficiency to reach 99.8% due to the in situ loading of iron (Fe). The condition of synthesis pH = 2-4 is better for iron-modified ASOH to adsorb arsenic from water.

  17. Amino acids as co-amorphous stabilizers for poorly water-soluble drugs--Part 2: molecular interactions.

    Science.gov (United States)

    Löbmann, Korbinian; Laitinen, Riikka; Strachan, Clare; Rades, Thomas; Grohganz, Holger

    2013-11-01

    The formation of co-amorphous drug-drug mixtures has proved to be a powerful approach to stabilize the amorphous form and at the same time increase the dissolution of poorly water-soluble drugs. Molecular interactions in these co-amorphous formulations can play a crucial role in stabilization and dissolution enhancement. In this regard, Fourier-transform infrared spectroscopy (FTIR) is a valuable tool to analyze the molecular near range order of the compounds in the co-amorphous mixtures. In this study, several co-amorphous drugs--low molecular weight excipient blends--have been analyzed with FTIR spectroscopy. Molecular interactions of the drugs carbamazepine and indomethacin with the amino acids arginine, phenylalanine, and tryptophan were investigated. The amino acids were chosen from the biological target site of both drugs and prepared as co-amorphous formulations together with the drugs by vibrational ball milling. A detailed analysis of the FTIR spectra of these formulations revealed specific peak shifts in the vibrational modes of functional groups of drug and amino acid, as long as one amino acid from the biological target site was present in the blends. These peak shifts indicate that the drugs formed specific molecular interactions (hydrogen bonding and π-π interactions) with the amino acids. In the drug-amino acid mixtures that contained amino acids which were not present at the biological target site, no such interactions were identified. This study shows the potential of amino acids as small molecular weight excipients in co-amorphous formulations to stabilize the amorphous form of a poorly water-soluble drug through strong and specific molecular interactions with the drug.

  18. Fourier transform Raman spectroscopic study of the interaction of water vapor with amorphous polymers.

    Science.gov (United States)

    Taylor, L S; Langkilde, F W; Zografi, G

    2001-07-01

    Water associated with amorphous polymers is known to affect their chemical and physical properties. The purpose of this study was to investigate the nature of water-polymer interactions for some polymers of pharmaceutical interest. Using Raman spectroscopy, polymer-water hydrogen bond interactions were probed for two molecular weight grades of poly(vinylpyrrolidone), namely PVP K90 and PVP K12, and also for poly(vinylacetate) and poly(vinyl pyrrolidone-co-vinyl acetate). Water vapor absorption isotherms were obtained for the polymers, and the effect of the absorbed water on the glass transition temperature was determined. A knowledge of the water content and physical state of the polymer was used to aid interpretation of Raman spectral changes. The strength of the hydrogen bond formed with water was found to depend on the chemistry of the polymer, with the pyrrolidone group interacting more strongly than the acetate group. However, minor differences were also observed between the degree of interaction of water and polymer for PVP K12 and PVP K90 at some water contents. This result is attributed to differences in the structural relaxation changes accompanying plasticization by water for the two molecular weight grades. Using principal components analysis of the spectral data, it was also possible to differentiate between samples in the rubbery state and samples in the glassy state. In conclusion, water sorbed into polymers causes changes in the polymer Raman spectra not only because of hydrogen bonding, but also as a result of the plasticizing effect of water on polymer mobility.

  19. 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

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

    Science.gov (United States)

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

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

  1. Amino acids as co-amorphous stabilizers for poorly water soluble drugs--Part 1: preparation, stability and dissolution enhancement.

    Science.gov (United States)

    Löbmann, Korbinian; Grohganz, Holger; Laitinen, Riikka; Strachan, Clare; Rades, Thomas

    2013-11-01

    Poor aqueous solubility of an active pharmaceutical ingredient (API) is one of the most pressing problems in pharmaceutical research and development because up to 90% of new API candidates under development are poorly water soluble. These drugs usually have a low and variable oral bioavailability, and therefore an unsatisfactory therapeutic effect. One of the most promising approaches to increase dissolution rate and solubility of these drugs is the conversion of a crystalline form of the drug into its respective amorphous form, usually by incorporation into hydrophilic polymers, forming glass solutions. However, this strategy only led to a small number of marketed products usually because of inadequate physical stability of the drug (crystallization). In this study, we investigated a fundamentally different approach to stabilize the amorphous form of drugs, namely the use of amino acids as small molecular weight excipients that form specific molecular interactions with the drug resulting in co-amorphous forms. The two poorly water soluble drugs carbamazepine and indomethacin were combined with amino acids from the binding sites of the biological receptors of these drugs. Mixtures of drug and the amino acids arginine, phenylalanine, tryptophan and tyrosine were prepared by vibrational ball milling. Solid-state characterization with X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) revealed that the various blends could be prepared as homogeneous, single phase co-amorphous formulations indicated by the appearance of an amorphous halo in the XRPD diffractograms and a single glass transition temperature (Tg) in the DSC measurements. In addition, the Tgs of the co-amorphous mixtures were significantly increased over those of the individual drugs. The drugs remained chemically stable during the milling process and the co-amorphous formulations were generally physically stable over at least 6 months at 40 °C under dry conditions. The

  2. A study of the crystallisation of amorphous salbutamol sulphate using water vapour sorption and near infrared spectroscopy.

    Science.gov (United States)

    Columbano, Angela; Buckton, Graham; Wikeley, Philip

    2002-04-26

    The crystallisation of amorphous salbutamol sulphate prepared by spray drying was monitored using a humidity controlled microbalance (Dynamic Vapour Sorption apparatus, Surface Measurement Systems) combined with a near-infrared probe. Amorphous salbutamol sulphate was prepared by spray drying from a solution in water. The particles were then analysed using scanning electron microscopy, thermogravimetric analysis, differential scanning calorimetry, powder X-ray diffraction, isothermal microcalorimetry and water vapour sorption analysis combined with near-infrared spectroscopy (NIR). Isothermal microcalorimetry and water vapour sorption combined with NIR spectroscopy were able to detect the transition from the amorphous to crystalline state. However while the isothermal microcalorimeter showed only a classic crystallisation exotherm when the material was exposed at 75% RH, the DVS-NIR results at the same humidity highlighted a more complex process. When exposed at 75% RH, the uptake of water was followed by crystallisation that was detected using NIR. The expulsion of water after crystallisation was very slow and at a constant rate whether the material was exposed to 75 or 0% RH. The NIR and DVS studies indicated that the material had crystallised very soon after exposure to high RH. The water that was expelled during crystallisation was not displaced from the particles and remained associated with the particles for many days. This study showed that the use of gravimetric analysis together with NIR spectroscopy provided valuable information on the dynamics of the crystallisation of salbutamol sulphate. The retention of water within recently crystallised salbutamol is potentially important to the behaviour of dosage forms containing the amorphous (or partially amorphous) form of this drug.

  3. Glass solution formation in water - In situ amorphization of naproxen and ibuprofen with Eudragit® E PO

    DEFF Research Database (Denmark)

    Doreth, Maria; Löbmann, Korbinian; Grohganz, Holger;

    2016-01-01

    a glass solution with Eudragit® E when immersed into water. In XRPD, reflections of the respective drugs decreased or disappeared completely. All samples showed a single glass transition temperature in the DSC, suggesting the formation of single phase amorphous systems. Ionic interactions between drug...

  4. Water in a Soft Confinement: Structure of Water in Amorphous Sorbitol.

    Science.gov (United States)

    Shalaev, Evgenyi; Soper, Alan K

    2016-07-28

    The structure of water in 70 wt % sorbitol-30 wt % water mixture is investigated by wide-angle neutron scattering (WANS) as a function of temperature. WANS data are analyzed using empirical potential structure refinement to obtain the site-site radial distribution functions (RDFs). Orientational structure of water is represented using OW-OW-OW triangles distributions and a tetrahedrality parameter, q, while water-water correlation function is used to estimate size of water clusters. Water structure in the sorbitol matrix is compared with that of water confined in nanopores of MCM41. The results indicate the existence of voids in the sorbitol matrix with the length scale of approximately 5 Å, which are filled by water. At 298 K, positional water structure in these voids is similar to that of water in MCM41, whereas there is a difference in the tetrahedral (orientational) arrangement. Cooling to 213 K strengthens tetrahedrality, with the orientational order of water in sorbitol becoming similar to that of confined water in MCM41 at 210 K, whereas further cooling to 100 K does not introduce any additional changes in the tetrahedrality. The results obtained allow us to propose, for the first time, that such confinement of water in a sorbitol matrix is the main reason for the lack of ice formation in this system.

  5. Amorphous cobalt potassium phosphate microclusters as efficient photoelectrochemical water oxidation catalyst

    Science.gov (United States)

    Zhang, Ye; Zhao, Chunsong; Dai, Xuezeng; Lin, Hong; Cui, Bai; Li, Jianbao

    2013-12-01

    A novel amorphous cobalt potassium phosphate hydrate compound (KCoPO4·H2O) is identified to be active photocatalyst for oxygen evolution reaction (OER) to facilitate hydrogen generation from water photolysis. It has been synthesized through a facile and cost-effective solution-based precipitation method using earth-abundant materials. Its highly porous structure and large surface areas are found to be responsible for the excellent electrochemical performance featuring a low OER onset at ˜550 mVSCE and high current density in alkaline condition. Unlike traditional cobalt-based spinel oxides (Co3O4, NiCo2O4) and phosphate (Co-Pi, Co(PO3)2) electrocatalysts, with proper energy band alignment for light-assisted water oxidation, cobalt potassium phosphate hydrate also exhibits robust visible-light response, generating a photocurrent density of ˜200 μA cm-2 at 0.7 VSCE. This catalyst could thus be considered as a promising candidate to perform photoelectrochemical water splitting.

  6. Unveiling the Surface Structure of Amorphous Solid Water via Selective Infrared Irradiation of OH Stretching Modes

    CERN Document Server

    Noble, Jennifer A; Fraser, Helen J; Roubin, Pascale; Coussan, Stéphane

    2014-01-01

    In the quest to understand the formation of the building blocks of life, amorphous solid water (ASW) is one of the most widely studied molecular systems. Indeed, ASW is ubiquitous in the cold interstellar medium (ISM), where ASW-coated dust grains provide a catalytic surface for solid phase chemistry, and is believed to be present in the Earth's atmosphere at high altitudes. It has been shown that the ice surface adsorbs small molecules such as CO, N$_2$, or CH$_4$, most likely at OH groups dangling from the surface. Our study presents completely new insights concerning the behaviour of ASW upon selective infrared (IR) irradiation of its dangling modes. When irradiated, these surface H$_2$O molecules reorganise, predominantly forming a stabilised monomer-like water mode on the ice surface. We show that we systematically provoke "hole-burning" effects (or net loss of oscillators) at the wavelength of irradiation and reproduce the same absorbed water monomer on the ASW surface. Our study suggests that all dangl...

  7. Hydroxypropyl cellulose stabilizes amorphous solid dispersions of the poorly water soluble drug felodipine.

    Science.gov (United States)

    Sarode, Ashish L; Malekar, Swapnil A; Cote, Catherine; Worthen, David R

    2014-11-04

    Overcoming the low oral bioavailability of many drugs due to their poor aqueous solubility is one of the major challenges in the pharmaceutical industry. The production of amorphous solid dispersions (ASDs) of these drugs using hydrophilic polymers may significantly improve their solubility. However, their storage stability and the stability of their supersaturated solutions in the gastrointestinal tract upon administration are unsolved problems. We have investigated the potential of a low viscosity grade of a cellulosic polymer, hydroxypropyl cellulose (HPC-SSL), and compared it with a commonly used vinyl polymer, polyvinylpyrrolidone vinyl acetate (PVP-VA), for stabilizing the ASDs of a poorly water soluble drug, felodipine. The ASDs were produced using hot melt mixing and stored under standard and accelerated stability conditions. The ASDs were characterized using differential scanning calorimetry, powder X-ray diffraction, and Fourier transform infrared spectroscopy. Drug dissolution and partitioning rates were evaluated using single- and biphasic dissolution studies. The ASDs displayed superior drug dissolution and partitioning as compared to the pure crystalline drug, which might be attributed to the formation of a drug-polymer molecular dispersion, amorphous conversion of the drug, and drug-polymer hydrogen bonding interactions. Late phase separation and early re-crystallization occurred at lower and higher storage temperatures, respectively, for HPC-SSL ASDs, whereas early phase separation, even at low storage temperatures, was noted for PVP-VA ASDs. Consequently, the partitioning rates for ASDs dispersed in HPC-SSL were greater than those of PVP-VA at lower and room temperature storage, whereas the performance of both of the ASDs was similar when stored at higher temperatures.

  8. Mechanical properties of Fe-Si-B amorphous wires produced by in-rotating-water spinning method

    Science.gov (United States)

    Hagiwara, M.; Inoue, A.; Masumoto, T.

    1982-03-01

    Amorphous wires with high strength and good ductility have been produced in Fe-Si-B alloy system by the modified melt-spinning technique in which a melt stream is ejected into a rotating water layer. These wires have a circular cross section and smooth peripheral surface. The diameter is in the range of about 0.07 to 0.27 mm. Their Vickers hardness (Hv) and tensile strength (σf) increase with silicon and boron content and reach 1100 DPN and 3920 MPa, respectively, for Fe70Si10B20, exceeding the values of heavily cold-drawn steel wires. Fracture elongation (ɛ f ), including elastic elongation, is about 2.1 to 2.8 pct. An appropriate cold drawing results in the increase of σf and ɛf by about eight and 65 pct, respectively. This increase is interpreted to result from an interaction among crossing deformation bands introduced by cold drawing. The undrawn and drawn amorphous wires are so ductile that no cracks are observed, even after closely contacted bending. Further, it is demonstrated that the σf of the Fe75Si10Bl5 amorphous wire increases by the replacement of iron with a small amount of tantalum, niobium, tungsten, molybdenum, or chromium without detriment to the formation tendency of an amorphous wire. Such iron-based amorphous wires are attractive as fine gauge, high strength materials because of their uniform shape and superior mechanical qualities.

  9. Small particle reagent based on crystal violet dye for developing latent fingerprints on non-porous wet surfaces

    Directory of Open Access Journals (Sweden)

    Richa Rohatgi

    2015-12-01

    Full Text Available Small particle reagent (SPR is a widely used method for developing latent fingerprints on non-porous wet surfaces. SPR based on zinc carbonate hydroxide monohydrate, ZnCo3·2Zn(OH2·H2O – also called basic zinc carbonate – has been formulated. The other ingredients of the formulation are crystal violet dye and a commercial liquid detergent. The composition develops clear, sharp and detailed fingerprints on non-porous items, after these were immersed separately in clean and dirty water for variable periods of time. The ability of the present formulation to detect weak and faint chance prints not only enhances its utility, but also its potentiality in forensic case work investigations. The raw materials used to prepare the SPR are cost-effective and non-hazardous.

  10. Enhanced photoelectrochemical water oxidation on bismuth vanadate by electrodeposition of amorphous titanium dioxide.

    Science.gov (United States)

    Eisenberg, David; Ahn, Hyun S; Bard, Allen J

    2014-10-08

    n-BiVO4 is a promising semiconductor material for photoelectrochemical water oxidation. Although most thin-film syntheses yield discontinuous BiVO4 layers, back reduction of photo-oxidized products on the conductive substrate has never been considered as a possible energy loss mechanism in the material. We report that a 15 s electrodeposition of amorphous TiO2 (a-TiO2) on W:BiVO4/F:SnO2 blocks this undesired back reduction and dramatically improves the photoelectrochemical performance of the electrode. Water oxidation photocurrent increases by up to 5.5 times, and its onset potential shifts negatively by ∼500 mV. In addition to blocking solution-mediated recombination at the substrate, the a-TiO2 film-which is found to lack any photocatalytic activity in itself-is hypothesized to react with surface defects and deactivate them toward surface recombination. The proposed treatment is simple and effective, and it may easily be extended to a wide variety of thin-film photoelectrodes.

  11. Determine the permeability of an amorphous mixture of polydimethylsiloxane and dealuminated zeolite ZSM-5 to various ethanol-water solutions using molecular simulations.

    Science.gov (United States)

    An amorphous mixture of PDMS and multi-cellular fragments of ZSM-5 is brought together to approximate the properties of a mixed matrix membrane of PDMS with ZSM-5. The permeability coefficient of the amorphous mixture for pure water is the product of the diffusion coefficient of...

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

    Science.gov (United States)

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

    2016-11-01

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

  13. Electron-induced chemistry of methyl chloride caged within amorphous solid water

    Science.gov (United States)

    Horowitz, Yonatan; Asscher, Micha

    2013-10-01

    The interaction of low energy electrons (1.0-25 eV) with methyl-chloride (CD3Cl) molecules, caged within Amorphous Solid Water (ASW) films, 10-120 monolayer (ML) thick, has been studied on top of a Ru(0001) substrate under Ultra High Vacuum (UHV) conditions. While exposing the ASW film to 3 eV electrons a static electric field up to 8 × 108 V/m is developed inside the ASW film due to the accumulation of trapped electrons that produce a plate capacitor voltage of exactly 3 V. At the same time while the electrons continuously strike the ASW surface, they are transmitted through the ASW film at currents of ca. 3 × 10-7 A. These electrons transiently attach to the caged CD3Cl molecules leading to C-Cl bond scission via Dissociative Electron Attachment (DEA) process. The electron induced dissociation cross sections and product formation rate constants at 3.0 eV incident electrons at ASW film thicknesses of 10 ML and 40 ML were derived from model simulations supported by Thermal Programmed Desorption (TPD) experimental data. For 3.0 eV electrons the CD3Cl dissociation cross section is 3.5 × 10-16 cm2, regardless of ASW film thickness. TPD measurements reveal that the primary product is deuterated methane (D3CH) and the minor one is deuterated ethane (C2D6).

  14. Surface and bulk crystallization of amorphous solid water films: Confirmation of "top-down" crystallization

    Science.gov (United States)

    Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.

    2016-10-01

    The crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a "top-down" crystallization mechanism.

  15. Surface and bulk crystallization of amorphous solid water films: Confirmation of “top-down” crystallization

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Chunqing; Smith, R. Scott; Kay, Bruce D.

    2016-10-01

    The crystallization kinetics of nanoscale amorphous solid water (ASW) films are investigated using temperature-programmed desorption (TPD) and reflection absorption infrared spectroscopy (RAIRS). TPD measurements are used to probe surface crystallization and RAIRS measurements are used to probe bulk crystallization. Isothermal TPD results show that surface crystallization is independent of the film thickness (from 100 to 1000 ML). Conversely, the RAIRS measurements show that the bulk crystallization time increases linearly with increasing film thickness. These results suggest that nucleation and crystallization begin at the ASW/vacuum interface and then the crystallization growth front propagates linearly into the bulk. This mechanism was confirmed by selective placement of an isotopic layer (5% D2O in H2O) at various positions in an ASW (H2O) film. In this case, the closer the isotopic layer was to the vacuum interface, the earlier the isotopic layer crystallized. These experiments provide direct evidence to confirm that ASW crystallization in vacuum proceeds by a “top-down” crystallization mechanism.

  16. Amorphous and crystalline aerosol particles interacting with water vapor – Part 1: Microstructure, phase transitions, hygroscopic growth and kinetic limitations

    Directory of Open Access Journals (Sweden)

    T. Koop

    2009-03-01

    Full Text Available Interactions with water are crucial for the properties, transformation and climate effects of atmospheric aerosols. Here we outline characteristic features and differences in the interaction of amorphous and crystalline aerosol particles with water vapor. Using a hygroscopicity tandem differential mobility analyzer (H-TDMA, we performed hydration, dehydration and cyclic hydration&dehydration experiments with aerosol particles composed of levoglucosan, oxalic acid and ammonium sulfate (diameters ~100–200 nm, relative uncertainties <0.4%, relative humidities <5% to 95% at 298 K. The measurements and accompanying Köhler model calculations provide new insights into particle microstructure, surface adsorption, bulk absorption, phase transitions and hygroscopic growth. The results of these and related investigations lead to the following main conclusions: 1. Many organic substances (including carboxylic acids, carbohydrates and proteins tend to form amorphous rather than crystalline phases upon drying of aqueous solution droplets. Depending on viscosity and microstructure, the amorphous phases can be classified as glasses, rubbers, gels or viscous liquids. 2. Amorphous organic substances tend to absorb water vapor and undergo gradual deliquescence and hygroscopic growth at much lower relative humidity than their crystalline counterparts. 3. In the course of hydration and dehydration, certain organic substances can form rubber- or gel-like structures (supra-molecular networks and undergo stepwise transitions between swollen and collapsed network structures. 4. Organic gels or (semi-solid amorphous shells (glassy, rubbery, ultra-viscous with low molecular diffusivity can kinetically limit the uptake and release of water by submicron aerosol particles on (multi-second time scales, which may influence the hygroscopic growth and activation of aerosol particles as cloud condensation nuclei (CCN and ice nuclei (IN. 5. The shape and porosity of amorphous

  17. Preparation and Characterization of Non-porous Superparamagnetic Microspheres with Epoxy Groups by Dispersion Polymerization

    Institute of Scientific and Technical Information of China (English)

    马志亚; 官月平; 刘先桥; 刘会洲

    2005-01-01

    Non-porous superparamagnetic polymer microspheres with epoxy groups were prepared by dispersion polymerization of glycidyl methacrylate (GMA) in the presence of magnetic iron oxide (Fe3O4) nanoparticles coated with oleic acid. The polymerization was carried out in the ethanol/water medium using polyvinylpyrrolidone (PVP) and 2,2’-azobisisobutyronitrile (AIBN) as stabilizer and initiator, respectively. The magnetic microspheres obtained were characterized with scanning electron microscopy (SEM), vibrating sample magnetometry (VSM) and Fourier transform infrared spectroscopy (FTIR). The results showed that the magnetic microspheres had an average size of-1μm with superparamagnetic characteristics. The saturation magnetization was found to be 4.5emu.g-1. There was abundance of epoxy groups with density of 0.028 mmol·g-1 in microspheres. The magnetic PGMA microspheres have extensive potential uses in magnetic bioseparation and biotechnology.

  18. Novel concentration method for the detection of norovirus and sapovirus from water using minute particles of amorphous calcium phosphate.

    Science.gov (United States)

    Shinohara, Michiyo; Uchida, Kazue; Shimada, Shin-Ichi; Tomioka, Kyoko; Suzuki, Noriko; Minegishi, Toshitaka; Kawahashi, Sachie; Yoshikawa, Yuko; Ohashi, Norio

    2011-06-01

    A novel concentration method using minute particles of amorphous calcium phosphate (ACP) was developed for the detection of caliciviruses including norovirus and sapovirus, agents of human gastroenteritis, from water. In seeding experiments with feline calicivirus (FCV), ACP particles were able to adsorb efficiently the viruses in water, and the FCV-concentrated solution was obtained by dissolution of the virus-adsorbing ACP particles with citric acid after centrifugation. By quantitative real-time RT-PCR, the recovery efficiencies from 300 ml ultrapure water seeded with 10³, 10⁴ and >10⁵ copies of FCV were 48, 68 and >100 %, respectively. A comparative study showed that in the addition of viruses at sapovirus (genogroups I, II, IV and V) from river water. The data suggest that our new viral concentration is a rapid, simple, cost efficient and high virus recovery method, and it can be used for routine monitoring of norovirus and sapovirus in water, especially environmental water.

  19. [Amorphization in pharmaceutical technology].

    Science.gov (United States)

    Révész, Piroska; Laczkovich, Orsolya; Eros, István

    2004-01-01

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

  20. Reversible crystal-to-amorphous-to-crystal phase transition and a large magnetocaloric effect in a spongelike metal organic framework material.

    Science.gov (United States)

    Tian, Chong-Bin; Chen, Rui-Ping; He, Chao; Li, Wei-Jin; Wei, Qi; Zhang, Xu-Dong; Du, Shao-Wu

    2014-02-21

    Reversible crystal-to-amorphous-to-crystal phase transition accompanied by changes in magnetic and NLO properties was first observed in a rigid non-porous spongelike MOF material. The crystal phase exhibits a high magnetocaloric effect, while the amorphous phase has potential application as a magnetic DMF sensor.

  1. Water migration mechanisms in amorphous powder material and related agglomeration propensity

    NARCIS (Netherlands)

    Renzetti, S.; Voogt, J.A.; Oliver, L.; Meinders, M.B.J.

    2012-01-01

    The agglomeration phenomenon of amorphous particulate material is a major problem in the food industry. Currently, the glass transition temperature (Tg) is used as a fundamental parameter to describe and control agglomeration. Models are available that describe the kinetics of the agglomeration proc

  2. Spot morphology of non-contact printed protein molecules on non-porous substrates with a range of hydrophobicities.

    Science.gov (United States)

    Mujawar, Liyakat Hamid; Norde, Willem; van Amerongen, Aart

    2013-01-21

    Non-contact inkjet printing technology is one of the most promising tools for producing microarrays. The quality of the microarray depends on the type of the substrate used for printing biomolecules. Various porous and non-porous substrates have been used in the past, but due to low production cost and easy availability, non-porous substrates like glass and plastic are preferred over porous substrates. On these non-porous substrates, obtaining spot uniformity and a high signal to noise ratio is a big challenge. In our research work, we have modified pristine glass slides using various silanes to produce a range of hydrophobic glass substrates. The hydrophobicities of the slides expressed in the contact angle (θ) of a sessile drop of water were 49°, 61°, 75°, 88° and 103°. Using a non-contact inkjet printer, microarrays of biotinylated biomolecules (BSA and IgG) were produced on these modified glass substrates, pristine (untreated) glass and also on HTA polystyrene slides. The uniformity of the spots, reflecting the distribution of the biomolecules in the spots, was analyzed and compared using confocal laser scanning microscopy (CLSM). The quality of the spots was superior on the glass slide with a contact angle of ∼75°. We also investigated the influence of the hydrophobicity of the substrate on a two-step, real diagnostic antibody assay. This nucleic acid microarray immunoassay (NAMIA) for the detection of Staphylococcus aureus showed that on highly hydrophilic (θ 100°) the assay signal was low, whereas an excellent signal was obtained on the substrates with intermediate contact angles, θ ∼ 61° and θ ∼ 75°, respectively.

  3. Formation of the prebiotic molecule NH$_2$CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations

    CERN Document Server

    Song, Lei

    2016-01-01

    Investigating how formamide forms in the interstellar medium is a hot topic in astrochemistry, which can contribute to our understanding of the origin of life on Earth. We have constructed a QM/MM model to simulate the hydrogenation of isocyanic acid on amorphous solid water surfaces to form formamide. The binding energy of HNCO on the ASW surface varies significantly between different binding sites, we found values between $\\sim$0 and 100 kJ mol$^{-1}$. The barrier for the hydrogenation reaction is almost independent of the binding energy, though. We calculated tunneling rate constants of H + HNCO $\\rightarrow$ NH$_2$CO at temperatures down to 103 K combining QM/MM with instanton theory. Tunneling dominates the reaction at such low temperatures. The tunneling reaction is hardly accelerated by the amorphous solid water surface compared to the gas phase for this system, even though the activation energy of the surface reaction is lower than the one of the gas-phase reaction. Both the height and width of the ba...

  4. Aromatic structure degradation of single layer graphene on an amorphous silicon substrate in the presence of water, hydrogen and Extreme Ultraviolet light

    NARCIS (Netherlands)

    Mund, Baibhav Kumar; Sturm, J.M.; Lee, Christopher James; Bijkerk, Frederik

    2018-01-01

    In this paper we study the reaction of water and graphene under Extreme Ultraviolet (EUV) irradiation and in the presence of hydrogen. In this work, single layer graphene (SLG) on amorphous Si as an underlying substrate was dosed with water (0.75 ML) and exposed to EUV (λ = 13.5 nm, 92 eV) with

  5. Theory of compact nonporous windscreens for infrasonic measurements.

    Science.gov (United States)

    Zuckerwar, Allan J

    2010-06-01

    The principle of the compact nonporous windscreen is based on the great penetrability of infrasound through matter. The windscreen performance is characterized by the ratio of the sound pressure at an interior microphone, located in the center of a windscreen, to the incident sound pressure in the free field. The frequency dependence of this pressure ratio is derived as a function of the windscreen material and geometric properties. Four different windscreen geometries are considered: a subsurface, box-shaped windscreen, a cylindrical windscreen of infinite length, a cylindrical windscreen of finite length, and a spherical windscreen. Results are presented for windscreens made of closed-cell polyurethane foam and for typical dimensions of each of the above geometries. The cylindrical windscreen of finite length, featuring evanescent radial modes, behaves as a unity-gain, low-pass filter, cutting off sharply at the end of the infrasonic range. The remaining geometries reveal a pass band that extends well into the audio range, terminated by a pronounced peak beyond which the response plummets rapidly.

  6. In situ molecular elucidation of drug supersaturation achieved by nano-sizing and amorphization of poorly water-soluble drug.

    Science.gov (United States)

    Ueda, Keisuke; Higashi, Kenjirou; Yamamoto, Keiji; Moribe, Kunikazu

    2015-09-18

    Quantitative evaluation of drug supersaturation and nanoparticle formation was conducted using in situ evaluation techniques, including nuclear magnetic resonance (NMR) spectroscopy. We prepared a ternary complex of carbamazepine (CBZ) with hydroxypropyl methylcellulose (HPMC) and sodium dodecyl sulfate (SDS) to improve the drug concentration. Different preparation methods, including grinding and spray drying, were performed to prepare the ternary component products, ground mixture (GM) and spray-dried sample (SD), respectively. Although CBZ was completely amorphized in the ternary SD, CBZ was partially amorphized with the remaining CBZ crystals in the ternary GM. Aqueous dispersion of the ternary GM formed nanoparticles of around 150 nm, originating from the CBZ crystals in the ternary GM. In contrast, the ternary SD formed transparent solutions without a precipitate. The molecular-level evaluation using NMR measurements revealed that approximately half a dose of CBZ in the ternary GM dispersion was present as nanoparticles; however, CBZ in the ternary SD was completely dissolved in the aqueous solution. The characteristic difference between the solid states, followed by different preparation methods, induced different solution characteristics in the ternary GM and SD. The permeation study, using a dialysis membrane, showed that the CBZ concentration dissolved in the bulk water phase rapidly reduced in the ternary SD dispersion compared to the ternary GM dispersion; this demonstrated the advantage of ternary GM dispersion in the maintenance of CBZ supersaturation. Long-term maintenance of a supersaturated state of CBZ observed in the ternary GM dispersion rather than in the ternary SD dispersion was achieved by the inhibition of CBZ crystallization owing to the existence of CBZ nanoparticles in the ternary GM dispersion. Nanoparticle formation, combined with drug amorphization, could be a promising approach to improve drug concentrations. The detailed elucidation

  7. A molecular dynamics study of the role of molecular water on the structure and mechanics of amorphous geopolymer binders

    Science.gov (United States)

    Sadat, Mohammad Rafat; Bringuier, Stefan; Asaduzzaman, Abu; Muralidharan, Krishna; Zhang, Lianyang

    2016-10-01

    In this paper, molecular dynamics simulations are used to study the effect of molecular water and composition (Si/Al ratio) on the structure and mechanical properties of fully polymerized amorphous sodium aluminosilicate geopolymer binders. The X-ray pair distribution function for the simulated geopolymer binder phase showed good agreement with the experimentally determined structure in terms of bond lengths of the various atomic pairs. The elastic constants and ultimate tensile strength of the geopolymer binders were calculated as a function of water content and Si/Al ratio; while increasing the Si/Al ratio from one to three led to an increase in the respective values of the elastic stiffness and tensile strength, for a given Si/Al ratio, increasing the water content decreased the stiffness and strength of the binder phase. An atomic-scale analysis showed a direct correlation between water content and diffusion of alkali ions, resulting in the weakening of the AlO4 tetrahedral structure due to the migration of charge balancing alkali ions away from the tetrahedra, ultimately leading to failure. In the presence of water molecules, the diffusion behavior of alkali cations was found to be particularly anomalous, showing dynamic heterogeneity. This paper, for the first time, proves the efficacy of atomistic simulations for understanding the effect of water in geopolymer binders and can thus serve as a useful design tool for optimizing composition of geopolymers with improved mechanical properties.

  8. Porosity effects on crystallization kinetics of amorphous solid water: Implications for cold icy objects in the outer solar system

    Science.gov (United States)

    Mitchell, Emily H.; Raut, Ujjwal; Teolis, Benjamin D.; Baragiola, Raúl A.

    2017-03-01

    We have investigated the effects of porosity on the crystallization kinetics of amorphous solid water (ASW). Porosity in ASW films, condensed from the vapor phase at varying incidences at 10 K, was characterized using ultraviolet-visible interferometry and quartz crystal microgravimetry. The films were heated to crystallization temperatures between 130 and 141 K, resulting in partial pore compaction. The isothermal phase transformation was characterized using transmission infrared spectroscopy to monitor the time evolution of the 3.1-μm Osbnd H stretch absorption band. We find that ASW crystallization unfolds in two distinct stages. The first stage, responsible for ∼10% transformation, is initiated from nucleation at the external surface. The dominant second stage begins with nucleation at the internal pore surfaces and completes the transformation of the film at a faster rate compared to the first stage. A key finding is that porosity has major influence on crystallization kinetics; a film with five-times-higher porosity was observed to crystallize ∼15 times faster, compared to the less porous counterpart. We extrapolate our results to predict crystallization times for amorphous ices condensed on Europa's surface from plume sources, as recently observed by the Hubble Space Telescope.

  9. Interaction Effects between Cellulose and Water in Nanocrystalline and Amorphous Regions: A Novel Approach Using Molecular Modeling

    Directory of Open Access Journals (Sweden)

    Ali Chami Khazraji

    2013-01-01

    Full Text Available The hydrophilic/hydrophobic nature of cellulose is based on its structural anisotropy. Cellulose chains are arranged in a parallel manner and are organized in sheets stabilized by interchain OH–O hydrogen bonds, whereas the stacking of sheets is stabilized by both van der Waals (vdW dispersion forces and weak CH–O hydrogen bonds. Cellulose has a strong affinity to itself and materials containing hydroxyls, especially water. Based on the preponderance of hydroxyl functional groups, cellulose polymer is very reactive with water. Water molecular smallness promotes the reaction with the cellulose chains and immediately formed hydrogen bonds. Besides that, vdW dispersion forces play an important role between these two reactive entities. They stabilize the cellulose structure according to the considerable cohesive energy in the cellulose network. Hydrogen bonding, electrostatic interactions, and vdW dispersion forces play an important role in determining the cellulose crystal structure during the cellulose-water interactions. As a result of these interactions, the volume of cellulose undergoes a meaningful change expressed not only by an exponential growth in amorphous regions, but also by an expansion in nanocrystalline regions. In addition, the volume change is associated with the swelling material expressed as a weight gain of the cellulose polymer. Molecular modeling using Accelrys Materials Studio allowed us to open a new horizon and is helpful for understanding cellulose-water interactions.

  10. Mucoadhesive amorphous solid dispersions for sustained release of poorly water soluble drugs.

    Science.gov (United States)

    LaFountaine, Justin S; Prasad, Leena Kumari; Miller, Dave A; McGinity, James W; Williams, Robert O

    2017-04-01

    The oral delivery of mucoadhesive patches has been shown to enhance the absorption of large molecules such as peptides. We hypothesized that this mechanism could have utility for poorly soluble small molecules by utilizing a mucoadhesive polymer as the matrix for an amorphous solid dispersion. Binary dispersions of itraconazole and carbomer (Carbopol 71G) were prepared utilizing a thermokinetic mixing process (KinetiSol Dispersing) and the physicochemical properties were investigated by powder X-ray diffraction, calorimetry, and liquid chromatography. Adhesion of the dispersions to freshly excised porcine intestine was investigated with a texture analyzer. Minitablets were compressed from the optimal dispersion and further investigated in vitro and in vivo in rats. Thermokinetic mixing successfully processed amorphous dispersions up to 30% drug loading and each dispersion exhibited works of adhesion that were approximately an order of magnitude greater than a negative control in vitro. Ethylcellulose (EC) coated and uncoated minitablets prepared with the 30% drug load dispersion were delivered orally to rats and exhibited sustained release characteristics, with overall bioavailability greater for the uncoated minitablets compared to the EC-coated minitablets, similar to the rank order observed in our in vitro dissolution experiments. Necropsy studies showed that minitablets delivered with enteric-coated capsules targeted release to the distal small intestine and adhered to the intestinal mucosa, but the rat model presented limitations with respect to evaluating the overall performance. Based on the in vitro and in vivo results, further investigations in larger animals are a logical next step where fluid volumes, pH, and transit times are more favorable for the evaluated dosage forms.

  11. Amorphous Solid Water (ASW): Macroscale Environmentally-Neutral Application for Remediation of Hazardous Pollutants using Condensed-Phase Cryogenic Fluids

    Science.gov (United States)

    de Strulle, Ronald; Rheinhart, Maximilian

    2012-03-01

    We report macroscale environmentally-neutral use of cryogenic fluids to induce phase transitions from crystalline water-ices to amorphous solid water (ASW). New IP and uses in remediation of oil-spills and hazardous immiscibles from aquatic environments. We display high-resolution images of the transitions from hexagonal to cubic crystalline water-ice, then to hydrophobic ASW. Accretion and encapsulation of viscous pollutants within crystalline water-ice, and sequestration of condensed volatiles (PAH, methane) and low viscosity fluids within the interstitial cavities of ASW are shown and differentiated for: crude oils, diesel (heating) and blended oils, petroleum byproducts, vegetable and mineral oils, lipids, and light immiscible fluids. The effects of PdV work and thermal energy transfers during phase changes are shown, along with the sequestration efficiencies for hexagonal and cubic ice lattices vs. non-crystalline ASW, for a range of pollutant substances. The viability of ASW as a medium for study of quantum criticality phases is also proposed. The process is environmentally-neutral in that only substantially condensed-phase air liquefaction products, e.g. nitrogen in >90% liquid phase are employed as an active agent. The applications are also presented in terms of the scale-up of experiments performed at the nanoscale.

  12. Amorphous nanophotonics

    CERN Document Server

    Scharf, Toralf

    2013-01-01

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

  13. Exclusive Hydrogen Generation by Electrocatalysts Coated with an Amorphous Chromium-Based Layer Achieving Efficient Overall Water Splitting

    KAUST Repository

    Qureshi, Muhammad

    2017-08-08

    Successful conversion of renewable energy to useful chemicals requires efficient devices that can electrocatalyze or photocatalyze redox reactions, e.g., overall water splitting. Excellent electrocatalysts for the hydrogen evolution reaction (HER), such as Pt, can also cause other side-reactions, including the water-forming back-reaction from H2 and O2 products. A Cr-based amorphous layer coated on catalysts can work as a successful surface modifier that avoids the back-reaction, but its capabilities and limitations toward other species have not been studied. Herein, we investigated the Cr-based layer on Pt from perspectives of both electrocatalysis and photocatalysis using redox-active molecules/ions (O2, ferricyanide, IO3–, S2O82–, H2O2, and CO gas). Our systematic study revealed that utilization of the Cr-based layer realized an exclusive cathodic reaction only to HER, even in the presence of the aforementioned reactive species, suggesting that Cr-based layers work as membranes, as well as corrosion and poison inhibition layers. However, the Cr-based layer experienced self-oxidation and dissolved into the aqueous phase when a strong oxidizing agent or low pH was present. Presented herein are fundamental and critical aspects of the Cr-based modifier, which is essential for the successful and practical development of solar fuel production systems.

  14. A facile approach to the synthesis of non-porous and microporous sub-micron spherical zirconia and alumina-zirconia solid solution.

    Science.gov (United States)

    Ghotbi, Mohammad Yeganeh; Nasiri, Vida; Rafiee, Mehdi

    2013-01-01

    Amorphous monodisperse sub-micron spherical zirconia and alumina/zirconia solid solution particles were prepared by hydrolysis of zirconium and aluminum salts in ethanol. The heat-treatment process of the amorphous materials in air atmosphere at 500°C for 2h leaded to the production of non-porous zirconia and alumina/zirconia solid solution in tetragonal phase. The alkaline etching process of the as-prepared alumina/zirconia solid solution resulted in the formation of mono-modal microporous material with specific surface area of 125.0 m(2) g(-1) in comparison with 2. 9m(2) g(-1) for the parent material. Thermal analysis of the solid solution revealed that the incorporation of aluminum ions in the zirconia structure has decreased the phase transformation temperature from amorphous to crystalline structure. Moreover, optical study confirmed the presence of oxygen vacancy defect by substitution of tetravalent cations, Zr(4+) by trivalent cations, Al(3+) in zirconia lattice.

  15. 21 CFR 888.3353 - Hip joint metal/ceramic/polymer semi-constrained cemented or nonporous uncemented prosthesis.

    Science.gov (United States)

    2010-04-01

    ... cemented or nonporous uncemented prosthesis. 888.3353 Section 888.3353 Food and Drugs FOOD AND DRUG... prosthesis. (a) Identification. A hip joint metal/ceramic/polymer semi-constrained cemented or nonporous uncemented prosthesis is a device intended to be implanted to replace a hip joint. This device...

  16. Dielectric properties of residual water in amorphous lyophilized mixtures of sugar and drug

    Energy Technology Data Exchange (ETDEWEB)

    Moznine, R El [School of Pharmacy, De Montfort University, Leiceste (United Kingdom); Smith, G [School of Pharmacy, De Montfort University, Leicester (United Kingdom); Polygalov, E [School of Pharmacy, De Montfort University, Leicester (United Kingdom); Suherman, P M [School of Pharmacy, De Montfort University, Leicester (United Kingdom); Broadhead, J [AstraZeneca Charnwood R and D, Bakewell Rd, Loughborough (United Kingdom)

    2003-02-21

    Dielectric relaxation spectroscopy was used to investigate the properties of residual water in lyophilized formulations of a proprietary tri-phosphate drug containing a sugar (trehalose, lactose or sucrose) or dextran. The dielectric properties of each formulation were determined in the frequency range (0.1 Hz-0.1 MHz) and temperature range (30 deg. C-T{sub g}). The temperature dependence of the relaxation times for all samples showed Arrhenuis behaviour, from which the activation energy was derived. Proton hopping through the hydrogen-bonded network (clusters) of water molecules was suggested as the principle mode of charge transport. Significant differences in dielectric relaxation kinetics and activation energy were observed for the different formulations, which were found to correlate with the amount of monophosphate degradation product.

  17. Controlling electrodeposited ultrathin amorphous Fe hydroxides film on V-doped nickel sulfide nanowires as efficient electrocatalyst for water oxidation

    Science.gov (United States)

    Shang, Xiao; Yan, Kai-Li; Lu, Shan-Shan; Dong, Bin; Gao, Wen-Kun; Chi, Jing-Qi; Liu, Zi-Zhang; Chai, Yong-Ming; Liu, Chen-Guang

    2017-09-01

    Developing cost-effective electrocatalysts with both high activity and stability remains challenging for oxygen evolution reaction (OER) in water electrolysis. Herein, based on V-doped nickel sulfide nanowire on nickel foam (NiVS/NF), we further conduct controllable electrodeposition of Fe hydroxides film on NiVS/NF (eFe/NiVS/NF) to further improve OER performance and stability. For comparison, ultrafast chemical deposition of Fe hydroxides on NiVS/NF (uFe/NiVS/NF) is also utilized. V-doping of NiVS/NF may introduce more active sites for OER, and nanowire structure can expose abundant active sites and facilitate mass transport. Both of the two depositions generate amorphous Fe hydroxides film covering on the surface of nanowires and lead to enhanced OER activities. Furthermore, electrodeposition strategy realizes uniform Fe hydroxides film on eFe/NiVS/NF confirmed by superior OER activity of eFe/NiVS/NF than uFe/NiVS/NF with relatively enhanced stability. The OER activity of eFe/NiVS/NF depends on various electrodepositon time, and the optimal time (15 s) is obtained with maximum OER activity. Therefore, the controllable electrodeposition of Fe may provide an efficient and simple strategy to enhance the OER properties of electrocatalysts.

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

    CERN Document Server

    Dupuy, John L; Stancil, P C

    2016-01-01

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

  19. Capillary liquid chromatography separations using non-porous pillar array columns

    NARCIS (Netherlands)

    de Malsche, Wim; de Bruyne, S.; op de Beek, J.; Sandra, P.; Gardeniers, Johannes G.E.; Desmet, G.; Lynen, F.

    2012-01-01

    We report on a series of explorative experiments wherein a non-porous pillar array column (NP-PAC) is coupled to a commercial capillary LC instrument. The performance of the system was evaluated by both non-retained and retained experiments using several types of samples. In order to minimize

  20. Capillary liquid chromatography separations using non-porous pillar array columns

    NARCIS (Netherlands)

    Malsche, de D.M.W.; Bruyne, de S.; Beek, op de J.; Sandra, P.; Gardeniers, J.G.E.; Desmet, G.; Lynen, F.

    2012-01-01

    We report on a series of explorative experiments wherein a non-porous pillar array column (NP-PAC) is coupled to a commercial capillary LC instrument. The performance of the system was evaluated by both non-retained and retained experiments using several types of samples. In order to minimize interf

  1. Molecular dynamics simulations of the tribological behaviour of a water-lubricated amorphous carbon-fluorine PECVD coating

    Science.gov (United States)

    Rullich, Markus; Weiss, Volker C.; Frauenheim, Thomas

    2013-07-01

    Hybrid bearings comprising ceramic balls and steel rings exhibit increased wear-resistance and a reduced coefficient of friction (COF) compared with standard steel bearings. Using plasma-enhanced chemical vapour deposition (PECVD) coatings to modify the surface properties, the performance of these bearings can be further improved. Fluorine-containing amorphous hydrogenated carbon (a-C : F : H) films are well suited to this purpose. To study the influence of such coatings on the friction characteristics of key parts of hybrid bearings, a model of an a-C : F : H film was constructed and employed in molecular dynamics simulations of two slabs sliding past each other, lubricated by water. With one slab being pulled by a virtual spring, the perpendicular force (load) was kept constant using a barostat. For comparison, a system of two silicon dioxide (cristobalite) slabs and a mixed system consisting of a cristobalite slab and an a-C : F : H slab were investigated. Our results indicate a linear dependence of the friction force on the perpendicular force. With an increasing amount of water between the slabs, the COFs decrease. A decrease in temperature leads to an increased COF, while a decrease in the relative velocity of the slabs does not influence the COF between two a-C : F : H slabs, but reduces the COF for the other two systems. Our results for the COF and its dependence on temperature and relative sliding velocity generally agree well both with experiments and with simulations for similar systems reported in the literature.

  2. Porosity effects on crystallization kinetics of Amorphous Solid Water: Implications for cold icy objects in the Outer Solar System

    Science.gov (United States)

    Mitchell, Emily H.; Raut, Ujjwal; Baragiola, Raul A.

    2015-11-01

    Crystalline ice has been identified on the cold surfaces of most icy satellites and TNOs [1]. This is surprising since accretion of water vapor at temperatures (T isothermal transition from amorphous to fully crystalline phase was characterized by analyzing the time-dependent evolution of the OH-stretch absorption band using transmission infrared spectroscopy. Our initial results show that τc decreases with increasing porosity; for instance, a film deposited at 45° was observed to crystallize ~6 times faster than a film deposited at 0°. The preliminary estimate of the porosity of the 45° film is ~50% higher than that of the film deposited at normal incidence. Our findings can explain the reported variation in temperature-dependent τc [2] and contribute to the understanding of crystalline ice on cold bodies in the Outer Solar System.1. Mastrapa, R.M.E. et al. In: Gudipati, M.S. & Castillo-Rogez, J., Eds, The Science of Solar System Ices, Springer, New York, 2013.2. Baragiola, R.A. In: Devlin & Buch, Eds, Water in Confining Geometries, Springer-Verlag, 2003.3. Jewitt, D.C. & Luu, J., Nature 432, 731, 2004.4. Porter, S.B. et al. Icarus 208, 492, 2010.5. Stevenson, K.P., et al. Science 283, 1505, 1999.6. Francis, R.J. & O’Hare, D., J. Chem. Soc., Dalton Trans., 3133, 1998.7. Kirsch, B.L. et al., J. Phys. Chem. B., 108, 12698, 2004.

  3. Temperature-induced crystallization and compactibility of spray dried composite particles composed of amorphous lactose and various types of water-soluble polymer.

    Science.gov (United States)

    Takeuchi, H; Yasuji, T; Yamamoto, H; Kawashima, Y

    2000-04-01

    The purpose of this study was to investigate the temperature-induced crystallization and the compactibility of the composite particles containing amorphous lactose and various types of polymers. The composite particles were prepared by spray-drying an aqueous solution of lactose and various types of gel forming water-soluble polymers at various formulating ratios. The stabilizing effect of hydroxypropylcellulose (HPC) and polyvinyl pyrrolidone (PVP) on amorphous lactose in the composite particles was smaller than that of sodium alginate in comparing at the same formulating ratios. The difference in the stability of amorphous lactose in the composite particles was attributed to the difference in the glass transition temperature (Tg) of the composite particles caused by the polymers formulated. The tensile strength of compacted spray-dried composite particles containing the polymers was higher than commercial lactose for direct tabletting (DCL21). The tensile strength of the composite particles was increased with an increase in water content in the particles. The difference in compactibility of the composite particles containing the different amount of polymer and water could be explained by the difference in Tg of the particles.

  4. Inhibition of crystal nucleation and growth by water-soluble polymers and its impact on the supersaturation profiles of amorphous drugs.

    Science.gov (United States)

    Ozaki, Shunsuke; Kushida, Ikuo; Yamashita, Taro; Hasebe, Takashi; Shirai, Osamu; Kano, Kenji

    2013-07-01

    The impact of water-soluble polymers on drug supersaturation behavior was investigated to elucidate the role of water-soluble polymers in enhancing the supersaturation levels of amorphous pharmaceuticals. Hydroxypropyl methylcellulose (HPMC), polyvinylpyrrolidone (PVP), and Eudragit L-100 (Eudragit) were used as representative polymers, and griseofulvin and danazol were used as model drugs. Supersaturation profiles of amorphous drugs were measured in biorelevant dissolution tests. Crystal growth rate was measured from the decrease in dissolved drug concentration in the presence of seed crystals. Nucleation kinetics was evaluated by measuring the induction time for nucleation. All experiments were performed in the presence and absence of polymers. The degree of supersaturation of the amorphous model drugs increased with an increase in the inhibitory efficiency of polymers against crystal nucleation and growth (HPMC > PVP > Eudragit). In the presence of HPMC, the addition of seed crystals diminished the supersaturation ratio dramatically for griseofulvin and moderately for danazol. The results demonstrated that the polymers contributed to drug supersaturation by inhibiting both nucleation and growth. The effect of the polymers was drug dependent. The detailed characterization of polymers would allow selection of appropriate crystallization inhibitors and a planned quality control strategy for the development of supersaturable formulations. Copyright © 2013 Wiley Periodicals, Inc.

  5. Experimental evidence for water formation via ozone hydrogenation on dust grains at 10 K

    CERN Document Server

    Mokrane, H; Accolla, M; Congiu, E; Dulieu, F; Chehrouri, M; Lemaire, J L

    2009-01-01

    The formation of water molecules from the reaction between ozone (O3) and D-atoms is studied experimentally for the first time. Ozone is deposited on non-porous amorphous solid water ice (H2O), and D-atoms are then sent onto the sample held at 10 K. HDO molecules are detected during the desorption of the whole substrate where isotope mixing takes place, indicating that water synthesis has occurred. The efficiency of water formation via hydrogenation of ozone is of the same order of magnitude of that found for reactions involving O atoms or O2 molecules and exhibits no apparent activation barrier. These experiments validate the assumption made by models using ozone as one of the precursors of water formation via solid-state chemistry on interstellar dust grains.

  6. Preparation of A-type zeolite membranes on nonporous metal supports by using electrophoretic technique

    Institute of Scientific and Technical Information of China (English)

    HUANG Aisheng; LIU Jie; LI Yanshuo; LIN Yuesheng; YANG Weishen

    2004-01-01

    A-type zeolite membranes were prepared onthe nonporous metal supports by using electrophoretic tech-nique. The as-synthesized membranes were characterized byXRD and SEM. The effect of the applied potential on theformation of the A-type zeolite membrane was investigated,and the formation mechanism of zeolite membrane in theelectric field was discussed. The results showed that thenegative charged zeolite particles could migrate to the anodemetal surface homogenously and rapidly under the action ofthe applied electric field, consequently formed uniform anddense membranes in short time. The applied potential hadgreat effect on the membrane formation, and more uniformand denser zeolite membranes were prepared on the non-porous metal supports with 1 V potential.

  7. Use of quantum dots in aqueous solution to detect blood fingermarks on non-porous surfaces.

    Science.gov (United States)

    Becue, Andy; Moret, Sébastien; Champod, Christophe; Margot, Pierre

    2009-10-30

    A new and original reagent based on the use of highly fluorescent cadmium telluride (CdTe) quantum dots (QDs) in aqueous solution is proposed to detect weak fingermarks in blood on non-porous surfaces. To assess the efficiency of this approach, comparisons were performed with one of the most efficient blood reagents on non-porous surfaces, Acid Yellow 7 (AY7). To this end, four non-porous surfaces were studied, i.e. glass, transparent polypropylene, black polyethylene, and aluminium foil. To evaluate the sensitivity of both reagents, sets of depleted fingermarks were prepared, using the same finger, initially soaked with blood, which was then successively applied on the same surface without recharging it with blood or latent secretions. The successive marks were then cut in halves and the halves treated separately with each reagent. The results showed that QDs were equally efficient to AY7 on glass, polyethylene and polypropylene surfaces, and were superior to AY7 on aluminium. The use of QDs in new, sensitive and highly efficient latent and blood mark detection techniques appears highly promising. Health and safety issues related to the use of cadmium are also discussed. It is suggested that applying QDs in aqueous solution (and not as a dry dusting powder) considerably lowers the toxicity risks.

  8. Fingerprint detection and using intercalated CdSe nanoparticles on non-porous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Algarra, Manuel, E-mail: malgarra67@gmail.com [Centro de Geología da Universidade do Porto, Departamento de Geociências, Ambiente e Ordenamemto do Territorio do Porto, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Radotić, Ksenija; Kalauzi, Aleksandar; Mutavdžić, Dragosav; Savić, Aleksandar [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11000 Beograd (Serbia); Jiménez-Jiménez, José; Rodríguez-Castellón, Enrique [Departamento de Química Inorgánica, Facultad de Ciencias, Universidad de Málaga, Campus de Teatinos s/n, 29071Málaga (Spain); Silva, Joaquim C.G. Esteves da [Centro de Investigação em Química (CIQ-UP). Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Guerrero-González, Juan José [Policía Científica, Cuerpo Nacional de Policía, Málaga (Spain)

    2014-02-17

    Graphical abstract: -- Highlights: •Fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures. •Characterized by FTIR, XRD and fluorescence spectroscopies. •Deconvolution of the emission spectra was confirmed by using multivariate curve resolution (MCR) method. •Application for fingerprint detection and analysis on different non-porous surfaces. -- Abstract: A fluorescent nanocomposite based on the inclusion of CdSe quantum dots in porous phosphate heterostructures, functionalized with amino groups (PPH-NH{sub 2}@CdSe), was synthesized, characterized and used for fingerprint detection. The main scopes of this work were first to develop a friendly chemical powder for detecting latent fingerprints, especially in non-porous surfaces; their further intercalation in PPH structure enables not to spread the fluorescent nanoparticles, for that reason very good fluorescent images can be obtained. The fingerprints, obtained on different non-porous surfaces such as iron tweezers, mobile telephone screen and magnetic band of a credit card, treated with this powder emit a pale orange luminescence under ultraviolet excitation. A further image processing consists of contrast enhancement that allows obtaining positive matches according to the information supplied from a police database, and showed to be more effective than that obtained with the non-processed images. Experimental results illustrate the effectiveness of proposed methods.

  9. Laboratory study on the adsorption of Mn(2+) on suspended and deposited amorphous Al(OH)(3) in drinking water distribution systems.

    Science.gov (United States)

    Wang, Wendong; Zhang, Xiaoni; Wang, Hongping; Wang, Xiaochang; Zhou, Lichuan; Liu, Rui; Liang, Yuting

    2012-09-01

    Manganese (II) is commonly present in drinking water. This paper mainly focuses on the adsorption of manganese on suspended and deposited amorphous Al(OH)(3) solids. The effects of water flow rate and water quality parameters, including solution pH and the concentrations of Mn(2+), humic acid, and co-existing cations on adsorption were investigated. It was found that chemical adsorption mainly took place in drinking water with pHs above 7.5; suspended Al(OH)(3) showed strong adsorption capacity for Mn(2+). When the total Mn(2+) input was 3 mg/L, 1.0 g solid could accumulate approximately 24.0 mg of Mn(2+) at 15 °C. In drinking water with pHs below 7.5, because of H(+) inhibition, active reaction sites on amorphous Al(OH)(3) surface were much less. The adsorption of Mn(2+) on Al(OH)(3) changed gradually from chemical coordination to physical adsorption. In drinking water with high concentrations of Ca(2+), Mg(2+), Fe(3+), and HA, the removal of Mn(2+) was enhanced due to the effects of co-precipitation and adsorption. In solution with 1.0 mg/L HA, the residual concentration of Mn(2+) was below 0.005 mg/L, much lower than the limit value required by the Chinese Standard for Drinking Water Quality. Unlike suspended Al(OH)(3), deposited Al(OH)(3) had a much lower adsorption capacity of 0.85 mg/g, and the variation in flow rate and major water quality parameters had little effect on it. Improved managements of water age, pipe flushing and mechanical cleaning were suggested to control residual Mn(2+). Copyright © 2012 Elsevier Ltd. All rights reserved.

  10. Protecting hydrogenation-generated oxygen vacancies in BiVO4 photoanode for enhanced water oxidation with conformal ultrathin amorphous TiO2 layer

    Science.gov (United States)

    Zhang, Yang; Zhang, Xintong; Wang, Dan; Wan, Fangxu; Liu, Yichun

    2017-05-01

    Introducing appropriate amount of oxygen vacancies by hydrogenation treatment is a simple and efficient way to improve the photoelectrochemical performance of nanostructured oxide photoanodes. However, the hydrogenation effect is often not durable due to the gradual healing of oxygen vacancies at or close to surface of photoanodes. Herein, we tackled the problem by conformal coating the hydrogenated nanoporous BiVO4 (H-BiVO4) photoanode with an ultrathin layer of amorphous TiO2. Photoelectrochemical measurements showed that a 4 nm-thick TiO2 layer could significantly improve the stability of H-BiVO4 photoanode for repeated working test, with negligible influence on the initial photocurrent compared to the uncoated one. Mott-Schottky and linear sweep voltammetry measurements showed that donor density and photocurrent density of the H-BiVO4 electrode almost decayed to the values of pristine BiVO4 electrode after 3 h test, while the amorphous TiO2-coated electrode only degraded by 6% and 5% of the initial values respectively in the same period. The investigation thus suggested that the amorphous TiO2 layer did protect the oxygen vacancies in H-BiVO4 photoanode by isolating these oxygen vacancies from environmental oxygen, while at the same time not impeding the interfacial charge transfer to water molecules due to its leaky nature.

  11. An amorphous CoSe film behaves as an active and stable full water-splitting electrocatalyst under strongly alkaline conditions.

    Science.gov (United States)

    Liu, Tingting; Liu, Qian; Asiri, Abdullah M; Luo, Yonglan; Sun, Xuping

    2015-12-01

    It is attractive but still remains a big challenge to develop non-noble metal bifunctional electrocatalysts efficient for both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) under alkaline conditions. Herein, an amorphous CoSe film electrodeposited on a Ti mesh (a-CoSe/Ti) is demonstrated to exhibit high electrocatalytic activity and stability for both reactions in 1.0 M KOH. It needs overpotentials of 292 and 121 mV to drive 10 mA cm(-2) for OER and HER, respectively. The two-electrode alkaline water electrolyzer affords a water-splitting current of 10 mA cm(-2) at a cell voltage of 1.65 V. This work offers an attractive cost-effective catalytic material toward full water splitting applications.

  12. Fractionation of Cu and Zn isotopes during adsorption onto amorphous Fe(III) oxyhydroxide: Experimental mixing of acid rock drainage and ambient river water

    Science.gov (United States)

    Balistrieri, Laurie S.; Borrok, David M.; Wanty, Richard B.; Ridley, W. Ian

    2008-01-01

    Fractionation of Cu and Zn isotopes during adsorption onto amorphous ferric oxyhydroxide is examined in experimental mixtures of metal-rich acid rock drainage and relatively pure river water and during batch adsorption experiments using synthetic ferrihydrite. A diverse set of Cu- and Zn-bearing solutions was examined, including natural waters, complex synthetic acid rock drainage, and simple NaNO3 electrolyte. Metal adsorption data are combined with isotopic measurements of dissolved Cu (65Cu/63Cu) and Zn (66Zn/64Zn) in each of the experiments. Fractionation of Cu and Zn isotopes occurs during adsorption of the metal onto amorphous ferric oxyhydroxide. The adsorption data are modeled successfully using the diffuse double layer model in PHREEQC. The isotopic data are best described by a closed system, equilibrium exchange model. The fractionation factors (αsoln-solid) are 0.99927 ± 0.00008 for Cu and 0.99948 ± 0.00004 for Zn or, alternately, the separation factors (Δsoln-solid) are -0.73 ± 0.08‰ for Cu and -0.52 ± 0.04‰ for Zn. These factors indicate that the heavier isotope preferentially adsorbs onto the oxyhydroxide surface, which is consistent with shorter metal-oxygen bonds and lower coordination number for the metal at the surface relative to the aqueous ion. Fractionation of Cu isotopes also is greater than that for Zn isotopes. Limited isotopic data for adsorption of Cu, Fe(II), and Zn onto amorphous ferric oxyhydroxide suggest that isotopic fractionation is related to the intrinsic equilibrium constants that define aqueous metal interactions with oxyhydroxide surface sites. Greater isotopic fractionation occurs with stronger metal binding by the oxyhydroxide with Cu > Zn > Fe(II).

  13. Fractionation of Cu and Zn isotopes during adsorption onto amorphous Fe(III) oxyhydroxide: Experimental mixing of acid rock drainage and ambient river water

    Science.gov (United States)

    Balistrieri, L.S.; Borrok, D.M.; Wanty, R.B.; Ridley, W.I.

    2008-01-01

    Fractionation of Cu and Zn isotopes during adsorption onto amorphous ferric oxyhydroxide is examined in experimental mixtures of metal-rich acid rock drainage and relatively pure river water and during batch adsorption experiments using synthetic ferrihydrite. A diverse set of Cu- and Zn-bearing solutions was examined, including natural waters, complex synthetic acid rock drainage, and simple NaNO3 electrolyte. Metal adsorption data are combined with isotopic measurements of dissolved Cu (65Cu/63Cu) and Zn (66Zn/64Zn) in each of the experiments. Fractionation of Cu and Zn isotopes occurs during adsorption of the metal onto amorphous ferric oxyhydroxide. The adsorption data are modeled successfully using the diffuse double layer model in PHREEQC. The isotopic data are best described by a closed system, equilibrium exchange model. The fractionation factors (??soln-solid) are 0.99927 ?? 0.00008 for Cu and 0.99948 ?? 0.00004 for Zn or, alternately, the separation factors (??soln-solid) are -0.73 ?? 0.08??? for Cu and -0.52 ?? 0.04??? for Zn. These factors indicate that the heavier isotope preferentially adsorbs onto the oxyhydroxide surface, which is consistent with shorter metal-oxygen bonds and lower coordination number for the metal at the surface relative to the aqueous ion. Fractionation of Cu isotopes also is greater than that for Zn isotopes. Limited isotopic data for adsorption of Cu, Fe(II), and Zn onto amorphous ferric oxyhydroxide suggest that isotopic fractionation is related to the intrinsic equilibrium constants that define aqueous metal interactions with oxyhydroxide surface sites. Greater isotopic fractionation occurs with stronger metal binding by the oxyhydroxide with Cu > Zn > Fe(II).

  14. Supersaturation, nucleation, and crystal growth during single- and biphasic dissolution of amorphous solid dispersions: polymer effects and implications for oral bioavailability enhancement of poorly water soluble drugs.

    Science.gov (United States)

    Sarode, Ashish L; Wang, Peng; Obara, Sakae; Worthen, David R

    2014-04-01

    The influence of polymers on the dissolution, supersaturation, crystallization, and partitioning of poorly water soluble compounds in biphasic media was evaluated. Amorphous solid dispersions (ASDs) containing felodipine (FLD) and itraconazole (ITZ) were prepared by hot melt mixing (HMM) using various polymers. The ASDs were analyzed using powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), and HPLC. Amorphous drug conversion was confirmed using DSC and PXRD, and drug stability by HPLC. Single- and biphasic dissolution studies of the ASDs with concurrent dynamic light scattering (DLS) and polarized light microscopic (PLM) analysis of precipitated drugs were performed. HPLC revealed no HMM-induced drug degradation. Maximum partitioning into the organic phase was dependent upon the degree of supersaturation. Although the highest supersaturation of FLD was attained using Eudragit® EPO and AQOAT® AS-LF with better nucleation and crystal growth inhibition using the latter, higher partitioning of the drug into the organic phase was achieved using Pharmacoat® 603 and Kollidon® VA-64 by maintaining supersaturation below critical nucleation. Critical supersaturation for ITZ was surpassed using all of the polymers, and partitioning was dependent upon nucleation and crystal growth inhibition in the order of Pharmacoat® 603>Eudragit® L-100-55>AQOAT® AS-LF. HMM drug-polymer systems that prevent drug nucleation by staying below critical supersaturation are more effective for partitioning than those that achieve the highest supersaturation.

  15. Desorption Kinetics of Ar, Kr, Xe, N2, O2, CO, Methane, Ethane, and Propane from Graphene and Amorphous Solid Water Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Smith, R. Scott; May, Robert A.; Kay, Bruce D.

    2016-03-03

    The desorption kinetics for Ar, Kr, Xe, N2, O2, CO, methane, ethane, and propane from grapheme covered Pt(111) and amorphous solid water (ASW) surfaces are investigated using temperature programmed desorption (TPD). The TPD spectra for all of the adsorbates from graphene have well-resolved first, second, third, and multi- layer desorption peaks. The alignment of the leading edges is consistent the zero-order desorption for all of the adsorbates. An Arrhenius analysis is used to obtain desorption energies and prefactors for desorption from graphene for all of the adsorbates. In contrast, the leading desorption edges for the adsorbates from ASW do not align (for coverages < 2 ML). The non-alignment of TPD leading edges suggests that there are multiple desorption binding sites on the ASW surface. Inversion analysis is used to obtain the coverage dependent desorption energies and prefactors for desorption from ASW for all of the adsorbates.

  16. Transfer efficiency of bacteria and viruses from porous and nonporous fomites to fingers under different relative humidity conditions.

    Science.gov (United States)

    Lopez, Gerardo U; Gerba, Charles P; Tamimi, Akrum H; Kitajima, Masaaki; Maxwell, Sheri L; Rose, Joan B

    2013-09-01

    Fomites can serve as routes of transmission for both enteric and respiratory pathogens. The present study examined the effect of low and high relative humidity on fomite-to-finger transfer efficiency of five model organisms from several common inanimate surfaces (fomites). Nine fomites representing porous and nonporous surfaces of different compositions were studied. Escherichia coli, Staphylococcus aureus, Bacillus thuringiensis, MS2 coliphage, and poliovirus 1 were placed on fomites in 10-μl drops and allowed to dry for 30 min under low (15% to 32%) or high (40% to 65%) relative humidity. Fomite-to-finger transfers were performed using 1.0 kg/cm(2) of pressure for 10 s. Transfer efficiencies were greater under high relative humidity for both porous and nonporous surfaces. Most organisms on average had greater transfer efficiencies under high relative humidity than under low relative humidity. Nonporous surfaces had a greater transfer efficiency (up to 57%) than porous surfaces (<6.8%) under low relative humidity, as well as under high relative humidity (nonporous, up to 79.5%; porous, <13.4%). Transfer efficiency also varied with fomite material and organism type. The data generated can be used in quantitative microbial risk assessment models to assess the risk of infection from fomite-transmitted human pathogens and the relative levels of exposure to different types of fomites and microorganisms.

  17. Spot morphology of non-contact printed protein molecules on non-porous substrates with a range of hydrophobicities

    NARCIS (Netherlands)

    Mujawar, L.H.; Norde, W.; Amerongen, van A.

    2013-01-01

    Non-contact inkjet printing technology is one of the most promising tools for producing microarrays. The quality of the microarray depends on the type of the substrate used for printing biomolecules. Various porous and non-porous substrates have been used in the past, but due to low production cost

  18. Spot morphology of non-contact printed protein molecules on non-porous substrates with a range of hydrophobicities

    NARCIS (Netherlands)

    Mujawar, L.H.; Norde, W.; Amerongen, van A.

    2013-01-01

    Non-contact inkjet printing technology is one of the most promising tools for producing microarrays. The quality of the microarray depends on the type of the substrate used for printing biomolecules. Various porous and non-porous substrates have been used in the past, but due to low production cost

  19. Composite sampling of a Bacillus anthracis surrogate with cellulose sponge surface samplers from a nonporous surface.

    Directory of Open Access Journals (Sweden)

    Jenia A M Tufts

    Full Text Available A series of experiments was conducted to explore the utility of composite-based collection of surface samples for the detection of a Bacillus anthracis surrogate using cellulose sponge samplers on a nonporous stainless steel surface. Two composite-based collection approaches were evaluated over a surface area of 3716 cm2 (four separate 929 cm2 areas, larger than the 645 cm2 prescribed by the standard Centers for Disease Control (CDC and Prevention cellulose sponge sampling protocol for use on nonporous surfaces. The CDC method was also compared to a modified protocol where only one surface of the sponge sampler was used for each of the four areas composited. Differences in collection efficiency compared to positive controls and the potential for contaminant transfer for each protocol were assessed. The impact of the loss of wetting buffer from the sponge sampler onto additional surface areas sampled was evaluated. Statistical tests of the results using ANOVA indicate that the collection of composite samples using the modified sampling protocol is comparable to the collection of composite samples using the standard CDC protocol (p  =  0.261. Most of the surface-bound spores are collected on the first sampling pass, suggesting that multiple passes with the sponge sampler over the same surface may be unnecessary. The effect of moisture loss from the sponge sampler on collection efficiency was not significant (p  =  0.720 for both methods. Contaminant transfer occurs with both sampling protocols, but the magnitude of transfer is significantly greater when using the standard protocol than when the modified protocol is used (p<0.001. The results of this study suggest that composite surface sampling, by either method presented here, could successfully be used to increase the surface area sampled per sponge sampler, resulting in reduced sampling times in the field and decreased laboratory processing cost and turn-around times.

  20. Water sorption-induced crystallization, structural relaxations and strength analysis of relaxation times in amorphous lactose/whey protein systems

    OpenAIRE

    Fan, Fanghui; Mou, Tian; Nurhadi, Bambang; Roos, Yrjö H.

    2016-01-01

    Water sorption-induced crystallization, α-relaxations and relaxation times of freeze-dried lactose/whey protein isolate (WPI) systems were studied using dynamic dewpoint isotherms (DDI) method and dielectric analysis (DEA), respectively. The fractional water sorption behavior of lactose/WPI mixtures shown at aw ≤ 0.44 and the critical aw for water sorption-related crystallization (aw(cr)) of lactose were strongly affected by protein content based on DDI data. DEA results showed that the α-rel...

  1. Water-induced phase separation of miconazole-poly (vinylpyrrolidone-co-vinyl acetate) amorphous solid dispersions: Insights with confocal fluorescence microscopy.

    Science.gov (United States)

    Saboo, Sugandha; Taylor, Lynne S

    2017-08-30

    The aim of this study was to evaluate the utility of confocal fluorescence microscopy (CFM) to study the water-induced phase separation of miconazole-poly (vinylpyrrolidone-co-vinyl acetate) (mico-PVPVA) amorphous solid dispersions (ASDs), induced during preparation, upon storage at high relative humidity (RH) and during dissolution. Different fluorescent dyes were added to drug-polymer films and the location of the dyes was evaluated using CFM. Orthogonal techniques, in particular atomic force microscopy (AFM) coupled with nanoscale infrared spectroscopy (AFM-nanoIR), were used to provide additional analysis of the drug-polymer blends. The initial miscibility of mico-PVPVA ASDs prepared under low humidity conditions was confirmed by AFM-nanoIR. CFM enabled rapid identification of drug-rich and polymer-rich phases in phase separated films prepared under high humidity conditions. The identity of drug- and polymer-rich domains was confirmed using AFM-nanoIR imaging and localized IR spectroscopy, together with Lorentz contact resonance (LCR) measurements. The CFM technique was then utilized successfully to further investigate phase separation in mico-PVPVA films exposed to high RH storage and to visualize phase separation dynamics following film immersion in buffer. CFM is thus a promising new approach to study the phase behavior of ASDs, utilizing drug and polymer specific dyes to visualize the evolution of heterogeneity in films exposed to water. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Application of Nonporous Hollow Fiber Membrane Contactor in CO2 Removal%中空纤维致密膜基吸收法在CO2脱除中的应用

    Institute of Scientific and Technical Information of China (English)

    姜尚; 孙承贵; 贾静璇; 康国栋; 曹义鸣; 袁权

    2013-01-01

    In order to investigate the application potential of hollow fiber membrane contactors, a commercial nonporous polyimide hollow fiber membrane contactor (φ200) was tested by using tap water and seawater as absorbents to separate the CO2 from the gas mixture of CO2 and N2. The effects of liquid flow rate, liquid pressure, gas flow rate and gas pressure on the removal efficiency and overall mass transfer coefficient of CO2 were investigated. The experimental results indicate that the membrane resistance and liquid film resistance control the mass transfer when tap water and seawater are employed as absorbents. Furthermore, the removal efficiency is enhanced when the liquid/gas flow rate ratio increases. The nonporous hollow fiber contactor could perform a high CO2 removal with efficiency over 70%by optimizing the operation conditions. Finally, a stable operation process was achieved. This smooth mass transfer process indicates that the nonporous hollow fiber membrane eliminates bubbling problem and weeping problem that are frequently encountered in microporous hollow fiber contactor. Therefore, the non-porous hollow fiber contactor used in this experiment has great potential for application as a gas-liquid contactor.%  以商业φ200聚酰亚胺中空纤维致密膜大组件为接触器,淡水和海水为吸收剂,进行了CO2/N2混合气中CO2的脱除实验。考察了气液相压力和流量对CO2脱除率和过程总传质系数的影响。结果显示,液相压力对膜接触器的影响不大,而加大液/气相流量比可以提高CO2的脱除效率,通过控制操作条件可使膜接触器的CO2脱除率在70%以上。实验过程中,气液两相压力可在较宽范围内独立操作,且无鼓泡和漏液现象发生。研究表明中空纤维致密膜基接触器在CO2气体分离领域具有很好的应用潜力和前景。

  3. The release of trapped gases from amorphous solid water films. I. "Top-down" crystallization-induced crack propagation probed using the molecular volcano.

    Science.gov (United States)

    May, R Alan; Smith, R Scott; Kay, Bruce D

    2013-03-14

    In this (Paper I) and the companion paper (Paper II; R. May, R. Smith, and B. Kay, J. Chem. Phys. 138, 104502 (2013)), we investigate the mechanisms for the release of trapped gases from underneath amorphous solid water (ASW) films. In prior work, we reported the episodic release of trapped gases in concert with the crystallization of ASW, a phenomenon that we termed the "molecular volcano." The observed abrupt desorption is due to the formation of cracks that span the film to form a connected pathway for release. In this paper, we utilize the "molecular volcano" desorption peak to characterize the formation of crystallization-induced cracks. We find that the crack length distribution is independent of the trapped gas (Ar, Kr, Xe, CH4, N2, O2, or CO). Selective placement of the inert gas layer is used to show that cracks form near the top of the film and propagate downward into the film. Isothermal experiments reveal that, after some induction time, cracks propagate linearly in time with an Arrhenius dependent velocity corresponding to an activation energy of 54 kJ∕mol. This value is consistent with the crystallization growth rates reported by others and establishes a direct connection between crystallization growth rate and the crack propagation rate. A two-step model in which nucleation and crystallization occurs in an induction zone near the top of the film followed by the propagation of a crystallization∕crack front into the film is in good agreement with the temperature programmed desorption results.

  4. Residual Water Modulates QA−-to-QB Electron Transfer in Bacterial Reaction Centers Embedded in Trehalose Amorphous Matrices

    Science.gov (United States)

    Francia, Francesco; Palazzo, Gerardo; Mallardi, Antonia; Cordone, Lorenzo; Venturoli, Giovanni

    2003-01-01

    The role of protein dynamics in the electron transfer from the reduced primary quinone, QA−, to the secondary quinone, QB, was studied at room temperature in isolated reaction centers (RC) from the photosynthetic bacterium Rhodobacter sphaeroides by incorporating the protein in trehalose water systems of different trehalose/water ratios. The effects of dehydration on the reaction kinetics were examined by analyzing charge recombination after different regimes of RC photoexcitation (single laser pulse, double flash, and continuous light) as well as by monitoring flash-induced electrochromic effects in the near infrared spectral region. Independent approaches show that dehydration of RC-containing matrices causes reversible, inhomogeneous inhibition of QA−-to-QB electron transfer, involving two subpopulations of RCs. In one of these populations (i.e., active), the electron transfer to QB is slowed but still successfully competing with P+QA− recombination, even in the driest samples; in the other (i.e., inactive), electron transfer to QB after a laser pulse is hindered, inasmuch as only recombination of the P+QA− state is observed. Small residual water variations (∼7 wt %) modulate fully the relative fraction of the two populations, with the active one decreasing to zero in the driest samples. Analysis of charge recombination after continuous illumination indicates that, in the inactive subpopulation, the conformational changes that rate-limit electron transfer can be slowed by >4 orders of magnitude. The reported effects are consistent with conformational gating of the reaction and demonstrate that the conformational dynamics controlling electron transfer to QB is strongly enslaved to the structure and dynamics of the surrounding medium. Comparing the effects of dehydration on P+QA−→PQA recombination and QA−QB→QAQB− electron transfer suggests that conformational changes gating the latter process are distinct from those stabilizing the primary

  5. REVIEW ON POROUS AND NON-POROUS FLAT PLATE AIR COLLECTOR WITH MIRROR ENCLOSURE

    Directory of Open Access Journals (Sweden)

    M. PRADHAPRAJ,

    2010-09-01

    Full Text Available In solar air heater, flat plat collectors are the best heat transferring devices. But the effectiveness of these collectorsis very low because of lack of technology. Solar assisted heated air is successfully used for drying applications and space heating under controlled conditions. From the solar flat plate air heater the hot air is transferred to a conventional dryer or to the combined heater and drying chamber directly. Hence, solar assisted air heaters arecheaper and reliable. The important factors affecting these systems are the solar radiation, mechanical loading, temperature and leakage. The air heater efficiency depends on the design of the system as well as the construction materials and the assembly. The solar air heating systems has acceptable life span of 15 to 20 years. The addition ofside mirror enclosures is to increase the amount of solar radiation absorption at the collector plate so that the collector increases the yield and operate in a higher temperature range. Therefore with the addition of side mirrors one can able to maximize the output of fixed flat plate collectors. A flat plate air collector will be more efficient if it is made up of porous medium when comparing it with the non porous collectors according to the study. In this paper, the performances of porous and non-porous absorber plates are discussed. Also the possible methods of finding out air leakages and the methodology adopted for the performance and efficiency calculations are also discussed.

  6. The biocompatibility of porous vs non-porous bone cements: a new methodological approach

    Directory of Open Access Journals (Sweden)

    C. Dall'Oca

    2014-06-01

    Full Text Available Composite cements have been shown to be biocompatible, bioactive, with good mechanical properties and capability to bind to the bone. Despite these interesting characteristic, in vivo studies on animal models are still incomplete and ultrastructural data are lacking. The acquisition of new ultrastructural data is hampered by uncertainties in the methods of preparation of histological samples due to the use of resins that melt methacrylate present in bone cement composition. A new porous acrylic cement composed of polymethylmetacrylate (PMMA and β-tricalciumphosphate (β-TCP was developed and tested on an animal model. The cement was implanted in femurs of 8 New Zealand White rabbits, which were observed for 8 weeks before their sacrifice. Histological samples were prepared with an infiltration process of LR white resin and then the specimens were studied by X-rays, histology and scanning electron microscopy (SEM. As a control, an acrylic standard cement, commonly used in clinical procedures, was chosen. Radiographic ultrastructural and histological exams have allowed finding an excellent biocompatibility of the new porous cement. The high degree of osteointegration was demonstrated by growth of neo-created bone tissue inside the cement sample. Local or systemic toxicity signs were not detected. The present work shows that the proposed procedure for the evaluation of biocompatibility, based on the use of LR white resin allows to make a thorough and objective assessment of the biocompatibility of porous and non-porous bone cements.

  7. Creep in amorphous metals

    Directory of Open Access Journals (Sweden)

    Michael E. Kassner

    2015-01-01

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

  8. Investigation of Critical Heat Flux Enhancement for Porous and Non-porous Structures without Surface Wettability Improvement

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Han; Bang, In Cheol [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

    2014-05-15

    Nanoparticles and nano-sheets have been used in base fluids to enhance the BHT and CHF. Nanoparticles such as Al{sub 2}O{sub 3}, TiO{sub 2}, ZnO, Ag, Au and SiC have been studied for investigating the enhancement in the BHT and CHF. Most of the studies illustrated the enhancement in the heat transfer and CHF based on nanoparticle deposition during boiling occurrences. Research on nanotechnology in boiling experiments such as the deposition of particles on heating surfaces, nanowires, and thin film coatings laid on a substrate was investigated as point of effective heat transfer methods. A theoretical model to predict the CHF based on the dynamic receding contact angle, which includes surface-liquid interaction effects, was accommodated the change of surface wettability due to the deposition of nanoparticles. Park et al., however, reported the reverse results that the enhancement in the CHF could not be explained by the relation of the improved surface wettability. They focused on the change of hydrodynamic instability wavelength due to the deposition of nanoparticles and concluded that the change of instability wavelength could be considered as the CHF enhancement mechanism. Therefore, an experimental CHF study without the change of surface wettability should be conducted to define the parameters attributing to the CHF. This paper presents a study on the enhancement BHT and CHF with porous and non-porous surfaces deposited on a bare indium tin oxide (ITO) surface using FC-72 refrigerant. Plasma enhanced chemical vapor deposition (PECVD) system was applied to deposit the SiC surface as non-porous structure and porous SiC-coated surface was manufactured by deposition of nanoparticles. For graphene surface, rapid thermal annealing (RTA) method and nanoparticles of graphene oxide were used for non-porous and porous structure, respectively. In the present work the study of the BHT and CHF is conducted using non-porous and porous heater surfaces without the effect of

  9. Optimization of amorphous silicon double junction solar cells for an efficient photoelectrochemical water splitting device based on a bismuth vanadate photoanode.

    Science.gov (United States)

    Han, Lihao; Abdi, Fatwa F; Perez Rodriguez, Paula; Dam, Bernard; van de Krol, Roel; Zeman, Miro; Smets, Arno H M

    2014-03-07

    A photoelectrochemical water splitting device (PEC-WSD) was designed and fabricated based on cobalt-phosphate-catalysed and tungsten-gradient-doped bismuth vanadate (W:BiVO4) as the photoanode. A simple and cheap hydrogenated amorphous silicon (a-Si:H) double junction solar cell has been used to provide additional bias. The advantage of using thin film silicon (TF-Si) based solar cells is that this photovoltaic (PV) technology meets the crucial requirements for the PV component in PEC-WSDs based on W:BiVO4 photoanodes. TF-Si PV devices are stable in aqueous solutions, are manufactured by simple and cheap fabrication processes and their spectral response, voltage and current density show an excellent match with the photoanode. This paper is mainly focused on the optimization of the TF-Si solar cell with respect to the remaining solar spectrum transmitted through the W:BiVO4 photoanode. The current matching between the top and bottom cells is studied and optimized by varying the thickness of the a-Si:H top cell. We support the experimental optimization of the current balance between the two sub-cells with simulations of the PV devices. In addition, the impact of the light induced degradation of the a-Si:H double junction, the so-called Staebler-Wronski Effect (SWE), on the performance of the PEC-WSD has been studied. The light soaking experiments on the a-Si:H/a-Si:H double junctions over 1000 hours show that the efficiency of a stand-alone a-Si:H/a-Si:H double junction cell is significantly reduced due to the SWE. Nevertheless, the SWE has a significantly smaller effect on the performance of the PEC-WSD.

  10. Analysis of water sorption isotherms of amorphous food materials by solution thermodynamics with relevance to glass transition: evaluation of plasticizing effect of water by the thermodynamic parameters.

    Science.gov (United States)

    Shimazaki, Eriko; Tashiro, Akiko; Kumagai, Hitomi; Kumagai, Hitoshi

    2017-04-01

    Relation between the thermodynamic parameters obtained from water sorption isotherms and the degree of reduction in the glass transition temperature (Tg), accompanied by water sorption, was quantitatively studied. Two well-known glassy food materials namely, wheat gluten and maltodextrin were used as samples. The difference between the chemical potential of water in a solution and that of pure water ([Formula: see text]), the difference between the chemical potential of solid in a solution and that of a pure solid ([Formula: see text]), and the change in the integral Gibbs free energy ([Formula: see text]) were obtained by analyzing the water sorption isotherms using solution thermodynamics. The parameter [Formula: see text] correlated well with ΔTg (≡Tg - Tg0; where Tg0 is the glass transition temperature of dry material), which had been taken to be an index of plasticizing effect. This indicates that plasticizing effect of water on foods can be evaluated through the parameter [Formula: see text].

  11. Trehalose amorphization and recrystallization.

    Science.gov (United States)

    Sussich, Fabiana; Cesàro, Attilio

    2008-10-13

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

  12. Binding Energy of Molecules on Water Ice: Laboratory Measurements and Modeling

    CERN Document Server

    He, Jiao; Vidali, Gianfranco

    2016-01-01

    We measured the binding energy of N$_2$, CO, O$_2$, CH$_4$, and CO$_2$ on non-porous (compact) amorphous solid water (np-ASW), of N$_2$ and CO on porous amorphous solid water (p-ASW), and of NH$_3$ on crystalline water ice. We were able to measure binding energies down to a fraction of 1\\% of a layer, thus making these measurements more appropriate for astrochemistry than the existing values. We found that CO$_2$ forms clusters on np-ASW surface even at very low coverages. The binding energies of N$_2$, CO, O$_2$, and CH$_4$ decrease with coverage in the submonolayer regime. Their values at the low coverage limit are much higher than what is commonly used in gas-grain models. An empirical formula was used to describe the coverage dependence of the binding energies. We used the newly determined binding energy distributions in a simulation of gas-grain chemistry for cold cloud and hot core models. We found that owing to the higher value of desorption energy in the sub-monlayer regime a fraction of all these ice...

  13. Amorphization within the tablet

    DEFF Research Database (Denmark)

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

    2017-01-01

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

  14. Amorphous iron (II) carbonate

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  15. Amorphous pharmaceutical solids.

    Science.gov (United States)

    Vranić, Edina

    2004-07-01

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

  16. Accommodative Behavior of Non-porous Molecular crystal at Solid-Gas and Solid-Liquid Interface

    OpenAIRE

    Mande, Hemant M.; Ghalsasi, Prasanna S.

    2015-01-01

    Molecular crystals demonstrate drastically different behavior in solid and liquid state, mainly due to their difference in structural frameworks. Therefore, designing of unique structured molecular compound which can work at both these interfaces has been a challenge. Here, we present remarkable ‘molecular’ property by non-porous molecular solid crystal, dinuclear copper complex (C6H5CH(X)NH2)2CuCl2, to reversibly ‘adsorb’ HCl gas at solid-gas interface as well as ‘accommodate’ azide anion at...

  17. [The development of co-amorphous drug systems].

    Science.gov (United States)

    Yao, Jing; Shi, Nian-Qiu; Wang, Xing-Lin

    2013-05-01

    Converting two poorly water-soluble crystalline drugs to co-amorphous drug systems by ball milling, quench-cooling, or cryo-milling method can improve stability of the drug, enhance dissolution rates, and reduce adverse reactions of the single drug. Co-amorphous system has been used to solve problems of co-administration of medicines. Formation and intermolecular interactions of co-amorphous drug systems may be verified by differential scanning calorimetry (DSC), X-ray powder diffraction (XRPD), Raman spectroscopy (RS) and Fourier transform infrared spectroscopy (FT-IR). Stability of co-amorphous drug systems is influenced by their glass transition temperature (Tg) and intermolecular interactions. The theoretical Tg values and the interaction parameter x are calculated by Gordon-Taylor equation and the Flory-Huggins equation, respectively. Thus, co-amorphous drug systems are analyzed theoretically at molecular level. Co-amorphous drug systems provide a new sight for the co-administration of medicines.

  18. Different effects of surface heterogeneous atoms of porous and non-porous carbonaceous materials on adsorption of 1,1,2,2-tetrachloroethane in aqueous environment.

    Science.gov (United States)

    Chen, Weifeng; Ni, Jinzhi

    2017-05-01

    The surface heterogeneous atoms of carbonaceous materials (CMs) play an important role in adsorption of organic pollutants. However, little is known about the surface heterogeneous atoms of CMs might generate different effect on adsorption of hydrophobic organic compounds by porous carbonaceous materials - activated carbons (ACs) and non-porous carbonaceous materials (NPCMs). In this study, we observed that the surface oxygen and nitrogen atoms could decrease the adsorption affinity of both ACs and NPCMs for 1,1,2,2-tetrachloroethane (TeCA), but the degree of decreasing effects were very different. The increasing content of surface oxygen and nitrogen ([O + N]) caused a sharper decrease in adsorption affinity of ACs (slope of lg (kd/SA) vs [O + N]: -0.098∼-0.16) than that of NPCMs (slope of lg (kd/SA) vs [O + N]: -0.025∼-0.059) for TeCA. It was due to the water cluster formed by the surface hydrophilic atoms that could block the micropores and generate massive invalid adsorption sites in the micropores of ACs, while the water cluster only occupied the surface adsorption sites of NPCMs. Furthermore, with the increasing concentration of dissolved TeCA, the effect of surface area on adsorption affinity of NPCMs for TeCA kept constant while the effect of [O + N] decreased due to the competitive adsorption between water molecule and TeCA on the surface of NPCMs, meanwhile, both the effects of micropore volume and [O + N] on adsorption affinity of ACs for TeCA were decreased due to the mechanism of micropore volume filling. These findings are valuable for providing a deep insight into the adsorption mechanisms of CMs for TeCA.

  19. In vivo guided vascular regeneration with a non-porous elastin-like polypeptide hydrogel tubular scaffold.

    Science.gov (United States)

    Mahara, Atsushi; Kiick, Kristi L; Yamaoka, Tetsuji

    2017-01-28

    Herein, we demonstrate a new approach for small-caliber vascular reconstruction using a non-porous elastin-like polypeptide hydrogel tubular scaffold, based on the concept of guided vascular regeneration (GVR). The scaffolds are composed of elastin-like polypeptide, (Val-Pro-Gly-Ile-Gly)n , for compliance matching and antithrombogenicity and an Arg-Gly-Asp (RGD) motif for connective tissue regeneration. When the polypeptide was mixed with an aqueous solution of β-[Tris(hydroxymethyl)phosphino]propionic acid at 37°C, the polypeptide hydrogel was rapidly formed. The elastic modulus of the hydrogel was 4.4kPa. The hydrogel tubular scaffold was formed in a mold and reinforced with poly(lactic acid) nanofibers. When tubular scaffolds with an inner diameter of 1 mm and length of 5 mm were implanted into rat abdominal aortae, connective tissue grew along the scaffold luminal surface from the flanking native tissues, resulting in new blood vessel tissue with a thickness of 200 μm in 1 month. In contrast, rats implanted with control scaffolds without the RGD motif died. These results indicate that the non-porous hydrogel tubular scaffold containing the RGD motif effectively induced rapid tissue regeneration and that GVR is a promising strategy for the regeneration of small-diameter blood vessels. This article is protected by copyright. All rights reserved.

  20. Profiling the progression of cancer: separation of microsomal proteins in MCF10 breast epithelial cell lines using nonporous chromatophoresis.

    Science.gov (United States)

    O'Neil, Kimberly A; Miller, Fred R; Barder, Timothy J; Lubman, David M

    2003-07-01

    The heterogeneity of cellular protein expression has stimulated development of separations targeting smaller groups of related proteins rather than entire proteomes. The following work describes the development of a technique for the characterization of membrane subproteomes from five different breast epithelial cell lines. Intact membrane proteins are separated by hydrophobicity in the first dimension using nonporous reversed-phase high-performance liquid chromatography (RP-HPLC) to generate unique chromatographic profiles. Fractions of eluent are further separated using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) to create distinct banding patterns. This hybrid liquid phase/gel phase method circumvents issues of membrane protein precipitation and provides a simple strategy aimed at isolating and characterizing a traditionally underrepresented protein class. Membrane protein profiles are created that discriminate between microsomal fractions of breast epithelial cells in different stages of neoplastic progression. Proteins are subsequently identified using matrix-assisted laser desorption/ionization - mass spectrometry (MALDI-MS) mass fingerprinting and MALDI-quadrupole time of flight - tandem mass spectrometry (QTOF-MS/MS) peptide sequencing. Furthermore, as this strategy preserves intact protein structure, further characterization can be performed on proteins producing mass fingerprint spectra and fragmentation spectra that did not result in database protein identifications. The coupling of nonporous RP-HPLC with SDS-PAGE provides a useful alternative to two-dimensional PAGE (2-D-PAGE) for membrane protein analysis.

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

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, J; Choi, J

    2007-07-18

    Amorphous metal and ceramic thermal spray coatings have been developed that can be used to enhance the corrosion resistance of containers for the transportation, aging and disposal of spent nuclear fuel and high-level radioactive wastes. Fe-based amorphous metal formulations with chromium, molybdenum and tungsten have shown the corrosion resistance believed to be necessary for such applications. Rare earth additions enable very low critical cooling rates to be achieved. The boron content of these materials, and their stability at high neutron doses, enable them to serve as high efficiency neutron absorbers for criticality control. Ceramic coatings may provide even greater corrosion resistance for container applications, though the boron-containing amorphous metals are still favored for criticality control applications. These amorphous metal and ceramic materials have been produced as gas atomized powders and applied as near full density, non-porous coatings with the high-velocity oxy-fuel process. This paper summarizes the performance of these coatings as corrosion-resistant barriers, and as neutron absorbers. Relevant corrosion models are also discussed, as well as a cost model to quantify the economic benefits possible with these new materials.

  2. Recent advances in co-amorphous drug formulations

    DEFF Research Database (Denmark)

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

    2016-01-01

    Co-amorphous drug delivery systems have recently gained considerable interest in the pharmaceutical field because of their potential to improve oral bioavailability of poorly water-soluble drugs through drug dissolution enhancement as a result of the amorphous nature of the material. A co-amorpho...... findings. In particular, we investigate co-amorphous formulations from the viewpoint of solid dispersions, describe their formation and mechanism of stabilization, study their impact on dissolution and in vivo performance and briefly outline the future potentials.......Co-amorphous drug delivery systems have recently gained considerable interest in the pharmaceutical field because of their potential to improve oral bioavailability of poorly water-soluble drugs through drug dissolution enhancement as a result of the amorphous nature of the material. A co-amorphous...... system is characterized by the use of only low molecular weight components that are mixed into a homogeneous single-phase co-amorphous blend. The use of only low molecular weight co-formers makes this approach very attractive, as the amount of amorphous stabilizer can be significantly reduced compared...

  3. 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...

  4. Integration Process Development for Improved Compatibility with Organic Non-Porous Ultralow-k Dielectric Fluorocarbon on Advanced Cu Interconnects

    Science.gov (United States)

    Gu, Xun; Tomita, Yugo; Nemoto, Takenao; Miyatani, Kotaro; Saito, Akane; Kobayashi, Yasuo; Teramoto, Akinobu; Kuroda, Rihito; Kuroki, Shin-Ichiro; Kawase, Kazumasa; Nozawa, Toshihisa; Matsuoka, Takaaki; Sugawa, Shigetoshi; Ohmi, Tadahiro

    2012-05-01

    Integration of an organic non-porous ultralow-k dielectric, fluorocarbon (k= 2.2), into advanced Cu interconnects was demonstrated. The challenges of process-induced damage, such as delamination and variances of both the structure and electrical properties of the fluorocarbon during fabrication, were investigated on Cu/fluorocarbon damascene interconnects. A titanium-based barrier layer, instead of a tantalum-based barrier layer, was used to avoid delamination between Cu and fluorocarbon in Cu/fluorocarbon interconnects. A moisture-hermetic dielectric protective layer was also effective to avoid damage induced by wet chemical cleaning. On the other hand, a post-etching nitrogen plasma treatment to form a stable protective layer on the surface of the fluorocarbon was proposed for the practical minimization of damage introduction to fluorocarbon in the following damascene process, such as post-etching cleaning.

  5. Understanding the Tendency of Amorphous Solid Dispersions to Undergo Amorphous–Amorphous Phase Separation in the Presence of Absorbed Moisture

    OpenAIRE

    Rumondor, Alfred C. F.; Wikström, Håkan; Van Eerdenbrugh, Bernard; Taylor, Lynne S.

    2011-01-01

    Formulation of an amorphous solid dispersion (ASD) is one of the methods commonly considered to increase the bioavailability of a poorly water-soluble small-molecule active pharmaceutical ingredient (API). However, many factors have to be considered in designing an API–polymer system, including any potential changes to the physical stability of the API. In this study, the tendency of ASD systems containing a poorly water-soluble API and a polymer to undergo amorphous–amorphous phase separatio...

  6. Molecular dynamics simulation of wetting on modified amorphous silica surface

    Science.gov (United States)

    Chai, Jingchun; Liu, Shuyan; Yang, Xiaoning

    2009-08-01

    The microscopic wetting of water on amorphous silica surfaces has been investigated by molecular dynamics simulation. Different degrees of surface hydroxylation/silanization were considered. It was observed that the hydrophobicity becomes enhanced with an increase in the degree of surface silanization. A continuous transformation from hydrophilicity to hydrophobicity can be attained for the amorphous silica surfaces through surface modification. From the simulation result, the contact angle can exceed 90° when surface silanization percentage is above 50%, showing a hydrophobic character. It is also found that when the percentage of surface silanization is above 70% on the amorphous silica surface, the water contact angle almost remains unchanged (110-120°). This phenomenon is a little different from the wetting behavior on smooth quartz plates in previous experimental report. This change in the wettability on modified amorphous silica surfaces can be interpreted in terms of the interaction between water molecules and the silica surfaces.

  7. 分散聚合法合成含有环氧基的无孔超顺磁性微球及其表征%Preparation and Characterization of Non-porous Superparamagnetic Microspheres with Epoxy Groups by Dispersion Polymerization

    Institute of Scientific and Technical Information of China (English)

    马志亚; 官月平; 刘先桥; 刘会洲

    2005-01-01

    Non-porous superparamagnetic polymer microspheres with epoxy groups were prepared by dispersion polymerization of glycidyl methacrylate (GMA) in the presence of magnetic iron oxide (Fe3 O4) nanoparticles coated with oleic acid. The polymerization was carried out in the ethanol/water medium using polyvinylpyrrolidone (PVP)and 2,2'-azobisisobutyronitrile (AIBN) as stabilizer and initiator, respectively. The magnetic microspheres obtained were characterized with scanning electron microscopy (SEM), vibrating sample magnetometry (VSM) and Fourier transform infrared spectroscopy (FTIR). The results showed that the magnetic microspheres had an average size of have extensive potential uses in magnetic bioseparation and biotechnology.

  8. Properties of amorphous carbon

    CERN Document Server

    2003-01-01

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

  9. Magnetostrictive amorphous bimetal sensors

    CERN Document Server

    Mehnen, L; Kaniusas, E

    2000-01-01

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

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

    Science.gov (United States)

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

    2002-08-23

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

  11. Preparation of Immobilized Metal Affinity Chromatographic Packings Based on Monodisperse Hydrophilic Non-porous Beads and Their Application

    Institute of Scientific and Technical Information of China (English)

    BO Chun-Miao; GONG Bo-Lin; HU Wen-Zhi

    2008-01-01

    Three hydrophilic immobilized metal affinity chromatographic packings for HPLC have been synthesized by chemical modification of 3.0 μm monodisperse non-porous poly(glycidyl methacrylate-co-ethylenedimethacrylate)(PGMMEDMA)beads.The retention behavior of proteins on the metal ion chelated columns loaded with copper(Ⅱ),nickel(Ⅱ)and zin(Ⅱ)ion was studied.The effect of pH on the protein retention Was investigated on both the naked and metal ion chelated columns in the range from 4.0 to 9.0.Four proteins were quickly separated in 3.0 min with linear gradient elution at a flow rate of 3.0 mL/min by using the synthesized Ni2+ -IDA(iminodiacetic acid)packings.The separation time was shorter than other immobilized metal affinity chromatography reported in the literature.Purification of lysozyme from egg white and trypsin on the commercially available trypsin was performed on the naked-IDA and Cu2+ -IDA columns,respectively.The purities of the purified trypsin and lysozyme were more than 92%and 95%,respectively.

  12. New mechanisms for non-porative ultrasound stimulation of cargo delivery to cell cytosol with targeted perfluorocarbon nanoparticles

    Science.gov (United States)

    Soman, N. R.; Marsh, J. N.; Lanza, G. M.; Wickline, S. A.

    2008-05-01

    The cell membrane constitutes a major barrier for non-endocytotic intracellular delivery of therapeutic molecules from drug delivery vehicles. Existing approaches to breaching the cell membrane include cavitational ultrasound (with microbubbles), electroporation and cell-penetrating peptides. We report the use of diagnostic ultrasound for intracellular delivery of therapeutic bulky cargo with the use of molecularly targeted liquid perfluorocarbon (PFC) nanoparticles. To demonstrate the concept, we used a lipid with a surrogate polar head group, nanogold-DPPE, incorporated into the nanoparticle lipid monolayer. Melanoma cells were incubated with nanogold particles and this was followed by insonication with continuous wave ultrasound (2.25 MHz, 5 min, 0.6 MPa). Cells not exposed to ultrasound showed gold particles partitioned only in the outer bilayer of the cell membrane with no evidence of the intracellular transit of nanogold. However, the cells exposed to ultrasound exhibited numerous nanogold-DPPE components inside the cell that appeared polarized inside intracellular vesicles demonstrating cellular uptake and trafficking. Further, ultrasound-exposed cells manifested no incorporation of calcein or the release of lactate dehydrogenase. These observations are consistent with a mechanism that suggests that ultrasound is capable of stimulating the intracellular delivery of therapeutic molecules via non-porative mechanisms. Therefore, non-cavitational adjunctive ultrasound offers a novel paradigm in intracellular cargo delivery from PFC nanoparticles.

  13. Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode.

    Science.gov (United States)

    Abdi, Fatwa F; Han, Lihao; Smets, Arno H M; Zeman, Miro; Dam, Bernard; van de Krol, Roel

    2013-01-01

    Metal oxides are generally very stable in aqueous solutions and cheap, but their photochemical activity is usually limited by poor charge carrier separation. Here we show that this problem can be solved by introducing a gradient dopant concentration in the metal oxide film, thereby creating a distributed n(+)-n homojunction. This concept is demonstrated with a low-cost, spray-deposited and non-porous tungsten-doped bismuth vanadate photoanode in which carrier-separation efficiencies of up to 80% are achieved. By combining this state-of-the-art photoanode with an earth-abundant cobalt phosphate water-oxidation catalyst and a double- or single-junction amorphous Si solar cell in a tandem configuration, stable short-circuit water-splitting photocurrents of ~4 and 3 mA cm(-2), respectively, are achieved under 1 sun illumination. The 4 mA cm(-2) photocurrent corresponds to a solar-to-hydrogen efficiency of 4.9%, which is the highest efficiency yet reported for a stand-alone water-splitting device based on a metal oxide photoanode.

  14. Efficient solar water splitting by enhanced charge separation in a bismuth vanadate-silicon tandem photoelectrode

    Science.gov (United States)

    Abdi, Fatwa F.; Han, Lihao; Smets, Arno H. M.; Zeman, Miro; Dam, Bernard; van de Krol, Roel

    2013-07-01

    Metal oxides are generally very stable in aqueous solutions and cheap, but their photochemical activity is usually limited by poor charge carrier separation. Here we show that this problem can be solved by introducing a gradient dopant concentration in the metal oxide film, thereby creating a distributed n+-n homojunction. This concept is demonstrated with a low-cost, spray-deposited and non-porous tungsten-doped bismuth vanadate photoanode in which carrier-separation efficiencies of up to 80% are achieved. By combining this state-of-the-art photoanode with an earth-abundant cobalt phosphate water-oxidation catalyst and a double- or single-junction amorphous Si solar cell in a tandem configuration, stable short-circuit water-splitting photocurrents of ~4 and 3 mA cm-2, respectively, are achieved under 1 sun illumination. The 4 mA cm-2 photocurrent corresponds to a solar-to-hydrogen efficiency of 4.9%, which is the highest efficiency yet reported for a stand-alone water-splitting device based on a metal oxide photoanode.

  15. Amorphous drugs and dosage forms

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  16. Bromate formation on the non-porous TiO2 photoanode in the photoelectrocatalytic system.

    Science.gov (United States)

    Selcuk, Huseyin; Sarikaya, Hasan Z; Bekbolet, Miray; Anderson, Marc A

    2006-02-01

    The increasing use of ozone in water disinfection processes has been the focus of considerable concern in regards to inorganic disinfection by product formation of bromate in waters containing bromide. Due to the public health risk caused by the presence of bromate as a suspected carcinogen, attention had been addressed to the conditions under which bromate is formed. In this study, photoanodic bromine generation and bromate (BrO(3)(-)) formation were investigated using a TiO(2) electrode in a photoelectrocatalytic (PEC) treatment process. The separation of anodic and cathodic reactions in the PEC system resulted in a pH decrease from 9.3 to 3.0 in the photoanode compartment and an increase to 11.0 in the cathode compartment. Under a photo-illumination intensity of 5.7 m W cm(-2) UV, a biasing potential of +1.0V vs SCE, a pH of 6.0 and at a NaBr concentration of 1.0 x 10(-2) M, active bromine formation increased over time with 2.4 x 10(-6) M min(-6) rate and reached a steady-state concentration of 1.44 x 10(-4) M in 60 min. Bromate formation was detected after a lag-period of 15 min and exhibited a continuous increasing trend with respect to irradiation time. No bromate formation was observed below pH 6.5 whereas an increasing bromate concentrations and pH up to pH=8.5 were noted.

  17. Beyond amorphous organic semiconductors

    Science.gov (United States)

    Hanna, Jun-ichi

    2003-07-01

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

  18. Lipid-Based Formulations Can Enable the Model Poorly Water-Soluble Weakly Basic Drug Cinnarizine to Precipitate in an Amorphous-Salt Form during in Vitro Digestion

    DEFF Research Database (Denmark)

    Khan, Jamal; Rades, Thomas; Boyd, Ben J

    2016-01-01

    The tendency for poorly water-soluble weakly basic drugs to precipitate in a noncrystalline form during the in vitro digestion of lipid-based formulations (LBFs) was linked to an ionic interaction between drug and fatty acid molecules produced upon lipid digestion. Cinnarizine was chosen as a mod...

  19. Chemical stability of amorphous materials: specific and general media effects in the role of water in the degradation of freeze-dried zoniporide.

    Science.gov (United States)

    Luthra, Suman A; Shalaev, Evgenyi Y; Medek, Ales; Hong, Jinyang; Pikal, Michael J

    2012-09-01

    The objective of the present work was to determine whether hydrolysis in a model lyophile was influenced by general media effects with water-changing properties of the medium or via a specific mechanism of water as a reactant. Four formulations of zoniporide and sucrose (1:10) were prepared with variable amounts of sorbitol [0%-25% (w/v) of total solids). These formulations were then equilibrated at 6% and 11% relative humidity using saturated salt solutions. The lyophile cakes were analyzed by differential scanning calorimetery (DSC), (isothermal microcalorimetry (IMC), solid- state nuclear magnetic resonance (ssNMR) spectroscopy, and ultraviolet-visible diffuse reflectance (DFR) spectroscopy. DSC and IMC were used to assess the global molecular mobility. ssNMR relaxation times were measured to access local mobility. The DFR was used to determine the solid-state acidity expressed as the Hammett acidity function. Stability of samples was evaluated at 40°C by monitoring potency and purity by high-performance liquid chromatography (HPLC). Results were interpreted in terms of the various roles of water: media effect, plasticization, polarity, and reactant. The kinetics of hydrolysis was observed to be correlated with either/both specific "chemical" effects, that is, water reactant as well as media effect, specifically global molecular mobility of the matrix. Increase in reaction rate with increase in water content is not linear and is a weaker dependence than in some hydrolytic reactions in organic solvents. A moderate amount of an inert plasticizer, sorbitol, conferred additional stabilization, possibly by restricting the amplitude and frequency of fast motions that are on a small length scale.

  20. Containerless processing of amorphous ceramics

    Science.gov (United States)

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

    1990-01-01

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

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

    CERN Document Server

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

    2016-01-01

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

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

    Science.gov (United States)

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

    2016-08-22

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

  3. Amorphous drugs and dosage forms

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  4. FRACTURE OF AMORPHOUS BILAYER RIBBON

    NARCIS (Netherlands)

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

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

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

    DEFF Research Database (Denmark)

    Löbmann, Korbinian; Laitinen, Riikka; Grohganz, Holger;

    2013-01-01

    Co-amorphous drug systems were recently introduced as potential drug delivery systems for poorly water soluble drugs in order to overcome problems associated with amorphous materials. The improved physical stability and dissolution of these systems was attributed to molecular interactions between...... the co-amorphous partners, such as hydrogen bonds. However, molecular level characterization with vibrational spectroscopy of even the amorphous drugs alone presents a significant challenge. This becomes even more complicated when more than one compound is present in the material under investigation...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-07-14

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

  7. Inhibition of surface crystallisation of amorphous indomethacin particles in physical drug-polymer mixtures

    DEFF Research Database (Denmark)

    Priemel, Petra A; Laitinen, Riikka; Barthold, Sarah

    2013-01-01

    Surface coverage may affect the crystallisation behaviour of amorphous materials. This study investigates crystallisation inhibition in powder mixtures of amorphous drug and pharmaceutical excipients. Pure amorphous indomethacin (IMC) powder and physical mixtures thereof with Eudragit(®) E...... stability than pure IMC whereas IMC Soluplus(®) mixtures did not. Water uptake was higher for mixtures containing Soluplus(®) than for amorphous IMC or IMC Eudragit(®) mixtures. However, the Tg of amorphous IMC was unaffected by the presence (and nature) of polymer. SEM revealed that Eudragit(®) particles...... through reduced IMC surface molecular mobility. Polymer particles may also mechanically hinder crystal growth outwards from the surface. This work highlights the importance of microparticulate surface coverage of amorphous drug particles on their stability....

  8. Recovery and Disinfection of Two Human Norovirus Surrogates, Feline Calicivirus and Murine Norovirus, from Hard Nonporous and Soft Porous Surfaces.

    Science.gov (United States)

    Yeargin, Thomas; Fraser, Angela; Huang, Guohui; Jiang, Xiuping

    2015-10-01

    Human norovirus is a leading cause of foodborne disease and can be transmitted through many routes, including environmental exposure to fomites. In this study, both the recovery and inactivation of two human norovirus surrogates, feline calicivirus (FCV) and murine norovirus (MNV), on hard nonporous surfaces (glass) and soft porous surfaces (polyester and cotton) were evaluated by both plaque assay and reverse transcription quantitative PCR method. Two disinfectants, sodium hypochlorite (8.25%) and accelerated hydrogen peroxide (AHP, at 4.25%) were evaluated for disinfection efficacy. Five coupons per surface type were used to evaluate the recovery of FCV and MNV by sonication and stomaching and the disinfection of each surface type by using 5 ml of disinfectant for a contact time of 5 min. FCV at an initial titer of ca. 7 log PFU/ml was recovered from glass, cotton, and polyester at 6.2, 5.4, and 3.8 log PFU/ml, respectively, compared with 5.5, 5.2, and 4.1 log PFU/ml, respectively, for MNV with an initial titer of ca. 6 log PFU/ml. The use of sodium hypochlorite (5,000 ppm) was able to inactivate both FCV and MNV (3.1 to 5.5 log PFU/ml) below the limit of detection on all three surface types. AHP (2,656 ppm) inactivated FCV (3.1 to 5.5 log PFU/ml) below the limit of detection for all three surface types but achieved minimal inactivation of MNV (0.17 to 1.37 log PFU/ml). Reduction of viral RNA by sodium hypochlorite corresponded to 2.72 to 4.06 log reduction for FCV and 2.07 to 3.04 log reduction for MNV on all three surface types. Reduction of viral RNA by AHP corresponded to 1.89 to 3.4 log reduction for FCV and 0.54 to 0.85 log reduction for MNV. Our results clearly indicate that both virus and surface types significantly influence recovery efficiency and disinfection efficacy. Based on the performance of our proposed testing method, an improvement in virus recovery will be needed to effectively validate virus disinfection of soft porous surfaces.

  9. Amorphous carbon for photovoltaics

    Science.gov (United States)

    Risplendi, Francesca; Grossman, Jeffrey C.

    2015-03-01

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

  10. Characterizing Amorphous Silicates in Extraterrestrial Materials

    Science.gov (United States)

    Fu, X.; Wang, A.; Krawczynski, M. J.

    2015-12-01

    Amorphous silicates are common in extraterrestrial materials. They are seen in the matrix of carbonaceous chondrites as well as in planetary materials. Tagish Lake is one of the most primitive carbonaceous meteorites in which TEM and XRD analyses found evidence for poorly crystalline phyllosilicate-like species; Raman spectra revealed amorphous silicates with variable degree of polymerization and low crystallinity. On Mars, CheMin discovered amorphous phases in all analyzed samples, and poorly crystalline smectite in mudstone samples. These discoveries pose questions on the crystallinity of phyllosilicates found by remote sensing on Mars, which is directly relevant to aqueous alteration during geologic history of Mars. Our goal is to use spectroscopy to better characterize amorphous silicates. We use three approaches: (1) using silicate glasses synthesized with controlled chemistry to study the effects of silicate polymerization and (2) using phyllosilicates synthesized with controlled hydrothermal treatment to study the effect of crystallinity on vibrational spectroscopy, finally (3) to use the developed correlations in above two steps to study amorphous phases in meteorites, and those found in future missions to Mars. In the 1st step, silicate glasses were synthesized from pure oxides in a range of NBO/T ratios (from 0 to 4). Depending on the targeted NBO/T and composition of mixed oxides, temperatures for each experiment fell in a range from 1260 to 1520 °C, run for ~ 4 hrs. The melt was quenched in liquid N2 or water. Homogeneity of glass was checked under optical microscopy. Raman spectra were taken over 100 spots on small chips free of bubbles and crystals. We have observed that accompanying an increase of NBO/T, there is a strengthening and a position shift of the Raman peak near 1000 cm-1 (Si-Onon-bridging stretching mode), and the weakening of broad Raman peaks near 500 cm-1 (ring breathing mode) and 700cm-1 (Si-Obridging-Si mode). We are building the

  11. Water reduction by a p-GaInP2 photoelectrode stabilized by an amorphous TiO2 coating and a molecular cobalt catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Jing; Yan, Yong; Young, James L.; Steirer, K. Xerxes; Neale, Nathan R.; Turner, John A.

    2015-12-21

    Producing hydrogen through solar water splitting requires the coverage of large land areas. Abundant metal-based molecular catalysts offer scalability, but only if they match noble metal activities. We report on a highly active p-GaInP2 photocathode protected through a 35-nm TiO2 layer functionalized by a cobaloxime molecular catalyst (GaInP2-TiO2-cobaloxime). This photoelectrode mediates H2 production with a current density of ~9"0mA"0cm-2 at a potential of 0"0V versus RHE under 1-sun illumination at pH"013. The calculated turnover number for the catalyst during a 20-h period is 139,000, with an average turnover frequency of 1.9"0s-1. Bare GaInP2 shows a rapid current decay, whereas the GaInP2-TiO2-cobaloxime electrode shows

  12. Determination of Ro 48-3656 in rat plasma by reversed-phase high-performance liquid chromatography. Comparison of 1.5-microm nonporous silica to 3.5-microm porous silica analytical columns.

    Science.gov (United States)

    Paasch, B D; Lin, Y S; Porter, S; Modi, N B; Barder, T J

    1997-12-19

    We describe a method for measuring Ro 48-3656 in EDTA rat plasma by neutral pH, reversed-phase high-performance liquid chromatography using a 1.5-microm nonporous silica, C18 analytical column and UV absorbance detection to support pharmacokinetic studies. We also describe a comparison of the 1.5-microm nonporous silica C18 column versus 3.5-microm porous silica C18 columns. The final method using the 1.5-microm nonporous silica column demonstrated good precision (of both quantification and retention time), accuracy and recovery, linearity of dilution and limit of quantification (40 ng/ml Ro 48-3656 using a 20 microl injection). Samples of neat EDTA rat plasma were prepared by ultrafiltration followed by direct injection onto the HPLC column.

  13. Fundamentals of amorphous solids structure and properties

    CERN Document Server

    Stachurski, Zbigniew H

    2014-01-01

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

  14. Nanostructures having crystalline and amorphous phases

    Science.gov (United States)

    Mao, Samuel S; Chen, Xiaobo

    2015-04-28

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

  15. Universal features of amorphous plasticity

    Science.gov (United States)

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

    2017-07-01

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

  16. A Molecular-Level View of the Physical Stability of Amorphous Solid Dispersions

    Science.gov (United States)

    Yuan, Xiaoda

    Many pharmaceutical compounds being developed in recent years are poorly soluble in water. This has led to insufficient oral bioavailability of many compounds in vitro. The amorphous formulation is one of the promising techniques to increase the oral bioavailability of these poorly water-soluble compounds. However, an amorphous drug substance is inherently unstable because it is a high energy form. In order to increase the physical stability, the amorphous drug is often formulated with a suitable polymer to form an amorphous solid dispersion. Previous research has suggested that the formation of an intimately mixed drug-polymer mixture contributes to the stabilization of the amorphous drug compound. The goal of this research is to better understand the role of miscibility, molecular interactions and mobility on the physical stability of amorphous solid dispersions. Methods were developed to detect different degrees of miscibility on nanometer scale and to quantify the extent of hydrogen-bonding interactions between the drug and the polymer. Miscibility, hydrogen-bonding interactions and molecular mobility were correlated with physical stability during a six-month period using three model systems. Overall, this research provides molecular-level insights into many factors that govern the physical stability of amorphous solid dispersions which can lead to a more effective design of stable amorphous formulations.

  17. Amorphous titanium-oxide supercapacitors

    Science.gov (United States)

    Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko

    2016-10-01

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

  18. Atomistic Models of Amorphous Semiconductors

    NARCIS (Netherlands)

    Jarolimek, K.

    2011-01-01

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

  19. Model for amorphous aggregation processes

    Science.gov (United States)

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

    2009-11-01

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

  20. Flexible amorphous metal films with high stability

    Science.gov (United States)

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

    2017-01-01

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

  1. Spray drying formulation of amorphous solid dispersions.

    Science.gov (United States)

    Singh, Abhishek; Van den Mooter, Guy

    2016-05-01

    Spray drying is a well-established manufacturing technique which can be used to formulate amorphous solid dispersions (ASDs) which is an effective strategy to deliver poorly water soluble drugs (PWSDs). However, the inherently complex nature of the spray drying process coupled with specific characteristics of ASDs makes it an interesting area to explore. Numerous diverse factors interact in an inter-dependent manner to determine the final product properties. This review discusses the basic background of ASDs, various formulation and process variables influencing the critical quality attributes (CQAs) of the ASDs and aspects of downstream processing. Also various aspects of spray drying such as instrumentation, thermodynamics, drying kinetics, particle formation process and scale-up challenges are included. Recent advances in the spray-based drying techniques are mentioned along with some future avenues where major research thrust is needed.

  2. Amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.

    2013-04-01

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

  3. Solubility Advantage (and Disadvantage) of Pharmaceutical Amorphous Solid Dispersions.

    Science.gov (United States)

    Huang, Siyuan; Mao, Chen; Williams, Robert O; Yang, Chia-Yi

    2016-12-01

    The solubility of a drug is ultimately governed by its chemical potential as it is present in the undissolved solute. For a pharmaceutical amorphous solid dispersion (ASD), its solubility depends on the state and composition of the undissolved solute when the ASD is equilibrated with water. Concerning the undissolved solute phase that can contain up to 3 components (drug, polymer, and water), we developed a complete thermodynamic model to calculate the chemical potential of a drug in the multicomponent, amorphous system. This approach enables the estimation of the true solubility advantage of ASD from calorimetric measurements and moisture sorption isotherms. Both theoretical estimation and experimental studies, using indomethacin (IMC)/Eudragit E ASD systems, show that the solubility advantage of the amorphous IMC is significantly reduced through ASD formation and water partitioning. For the ASD with 70% drug loading, the solubility of IMC is lower than its crystalline counterpart. Our results show that stabilization through the ASD formation and water sorption can be manifested by the lowering of drug solubility; they demonstrate that the core property in ASD development is the drug chemical potential, which is essentially the thermodynamic driving force and can be quantitated using the model presented in this work.

  4. Charge-assisted bond N(+)H mediates the gelation of amorphous lurasidone hydrochloride during dissolution.

    Science.gov (United States)

    Qian, Shuai; Wang, Shanshan; Li, Zhen; Wang, Xiaojie; Ma, Di; Liang, Shujun; Gao, Yuan; Zhang, Jianjun; Wei, Yuanfeng

    2017-02-25

    Lurasidone hydrochloride (LH), the hydrochloride form of lurasidone with a charge-assisted bond N(+)H, is an atypical antipsychotropic agent for the treatment of schizophrenia. As a BCS class II drug, LH has a low oral bioavailability mainly due to its poor water solubility and low dissolution. In order to improve its solubility, amorphization of LH was performed and characterized. Unexpectedly, the dissolution rate of amorphous LH was much lower than that of crystalline LH. In addition, the amorphous LH powders quickly aggregated when contacting the dissolution media (water, 37°C), and formed a sticky gel adhering on the paddle. The follow-up polarized light microscope, XRPD, DSC, and FTIR analysis found that amorphous LH transformed to crystalline LH during dissolution. On the other hand, no such gelation phenomenon of amorphous lurasidone was observed under the same dissolution condition. However, the gel would reform when dropping concentrated hydrochloric acid slowly into the bottom of the medium during the dissolution of amorphous lurasidone, and XRPD/DSC/FTIR results indicated that the regenerated gel was consisted of crystalline LH, suggesting that the charge-assisted bond N(+)H in the structure of LH mediated the gel formation of amorphous LH during its dissolution process.

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

    KAUST Repository

    Chaieb, Sahraoui

    2015-04-09

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

  6. Layered amorphous silicon as negative electrodes in lithium-ion batteries

    Science.gov (United States)

    Zhao, Leyi; Dvorak, D. J.; Obrovac, M. N.

    2016-11-01

    Chemical delithiation is used to prepare bulk quantities of amorphous silicon powder from lithium-silicon compounds. The amorphous silicon materials formed are air and water stable and are found to have layered structures. When cycled in Li-ion half cells, coatings containing layered amorphous silicon are found to have significantly lower volume expansion during lithiation and improved cycling characteristics compared to that of bulk crystalline Si. We suggest chemical delithiation as a convenient method to synthesize bulk quantities of Si powders containing self-organized void spaces that can accommodate volume expansion during lithiation.

  7. Joint ESRF-Cecam workshop polymorphous in liquid and amorphous matter

    Energy Technology Data Exchange (ETDEWEB)

    Price, D.L.; Hennet, L.; Krishnan, S.; Sinn, H.; Alp, E.E.; Saboungi, M.L.; Holland-Moritz, D.; Mossa, S.; Tarjus, G.; Trapananti, A.; Di Cicco, A.; Filipponi, A.; Tanaka, H.; Soper, A.K.; Strassle, Th.; Klotz, S.; Hamel, G.; Nelmes, R.J.; Loveday, J.S.; Rousse, G.; Canny, B.; Chervin, J.C.; Saitta, M.; Marek Koza, M.; Schober, H.; Geiger, A.; Brovchenko, I.; Oleinikova, A.; Strassle, T.; Reichert, H.; Jakse, N.; Lebacq, O.; Pasturel, A.; Salmon, P.S.; Martin, R.A.; Massobrio, C.; Poon, W.C.K.; Pham, K.N.; Voigtmann, Th.; Egelhaaf, S.U.; Pusey, P.N.; Petukhov, A.V.; Dolbnya, I.P.; Vroege, G.J.; Lekkerkerker, H.N.W.; Konig, H.; Keen, D.A.; Benedetti, L.R.; Sihachakr, D.; Dewaele, A.; Weck, G.; Crichton, W.; Mezouar, M.; Loubeyre, P.; Shimojo, F.; Ferlat, G.; San Miguel, A.; Xu, H.; Martinez-Garcia, D.; Zuniga, J.; Munoz-Sanjose, V.; Felipponi, A.; Panfilis, S. de; Di Cicco, A.; Guthrie, M.; Tulk, C.A.; Bemore, C.J.; Xu, J.; Yarger, J.L.; Mao, H.K.; Hemley, R.J

    2004-07-01

    This workshop is dedicated to new trends in the simulation and experimental studies of liquid and amorphous matter. Particular emphasis is given to polymorphism in equilibrium and under-cooled metastable liquids, glasses and to amorphous network-forming systems. 5 mains sessions over the 3 days have been organized: 1) under-cooled liquid metals, 2) liquid, glassy and amorphous semiconductors, 3) water and related systems, 4) colloids, macro-molecules and biological cells, and 5) state-of-the-art in experimental and theoretical investigations. This document gathers the abstracts of the presentations.

  8. On Structure and Properties of Amorphous Materials

    Directory of Open Access Journals (Sweden)

    Zbigniew H. Stachurski

    2011-09-01

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

  9. The physics and applications of amorphous semiconductors

    CERN Document Server

    Madan, Arun

    1988-01-01

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

  10. Fracture Phenomena in Amorphous Selenium

    DEFF Research Database (Denmark)

    Lindegaard-Andersen, Asger; Dahle, Birgit

    1966-01-01

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

  11. Structural study of amorphous polyaniline

    Science.gov (United States)

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

    1992-06-01

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

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

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

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

  13. Laser surface treatment of amorphous metals

    Science.gov (United States)

    Katakam, Shravana K.

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

  14. Polymeric Amorphous Solid Dispersions: A Review of Amorphization, Crystallization, Stabilization, Solid-State Characterization, and Aqueous Solubilization of Biopharmaceutical Classification System Class II Drugs.

    Science.gov (United States)

    Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

    2016-09-01

    Poor water solubility of many drugs has emerged as one of the major challenges in the pharmaceutical world. Polymer-based amorphous solid dispersions have been considered as the major advancement in overcoming limited aqueous solubility and oral absorption issues. The principle drawback of this approach is that they can lack necessary stability and revert to the crystalline form on storage. Significant upfront development is, therefore, required to generate stable amorphous formulations. A thorough understanding of the processes occurring at a molecular level is imperative for the rational design of amorphous solid dispersion products. This review attempts to address the critical molecular and thermodynamic aspects governing the physicochemical properties of such systems. A brief introduction to Biopharmaceutical Classification System, solid dispersions, glass transition, and solubility advantage of amorphous drugs is provided. The objective of this review is to weigh the current understanding of solid dispersion chemistry and to critically review the theoretical, technical, and molecular aspects of solid dispersions (amorphization and crystallization) and potential advantage of polymers (stabilization and solubilization) as inert, hydrophilic, pharmaceutical carrier matrices. In addition, different preformulation tools for the rational selection of polymers, state-of-the-art techniques for preparation and characterization of polymeric amorphous solid dispersions, and drug supersaturation in gastric media are also discussed.

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

    DEFF Research Database (Denmark)

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

    1992-01-01

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

  16. Amorphous cyclosporin A nanoparticles for enhanced dermal bioavailability.

    Science.gov (United States)

    Romero, Gregori B; Arntjen, Anja; Keck, Cornelia M; Müller, Rainer H

    2016-02-10

    Cylosporin A (CyA) was formulated as amorphous nanoparticle suspension to increase dermal penetration, e.g. applicable in psoriasis. The suspension consisted of 5% CyA in water, stabilized with vitamin E polyethylene glycol succinate (TPGS, Kolliphor TPGS) and was produced by bead milling. The diameter of the bulk population was about 350 nm, laser diffraction diameter 99% was 690 nm. The suspension was physically stable over one year of storage at room temperature, and most important the amorphous state also remained stable. Despite the high dispersitivity and related large surface area in contact with water, the drug content reduced only by 5% over 1 year of storage. i.e. the formulation is feasible as commercial product with expiry date. The CyA nanoparticles and μm-sized CyA particles were incorporated into hydroxypropylcellulose (HPC) gels and the penetration studied into fresh pig ear skin applying the tape stripping method. At tape number 30, the penetrated cumulative amount of CyA from nanoparticles was 6.3 fold higher compared to the μm-sized raw drug powder (450.1 μg/cm(2) vs. 71.3 μg/cm(2)). A theoretical mechanism is presented to explain the observed superiority in penetration. Based on amorphous CyA nanoparticles, dermal formulations for improved dermal CyA delivery seem to be feasible. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Electron beam recrystallization of amorphous semiconductor materials

    Science.gov (United States)

    Evans, J. C., Jr.

    1968-01-01

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

  18. Band Gaps of an Amorphous Photonic Materials

    Institute of Scientific and Technical Information of China (English)

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

    2004-01-01

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

  19. Co amorphous systems: A product development perspective.

    Science.gov (United States)

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

    2016-12-30

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

  20. Photoexcitation-induced processes in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-07-30

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

  1. Aerogels of 1D Coordination Polymers: From a Non-Porous Metal-Organic Crystal Structure to a Highly Porous Material

    Directory of Open Access Journals (Sweden)

    Adrián Angulo-Ibáñez

    2016-01-01

    Full Text Available The processing of an originally non-porous 1D coordination polymer as monolithic gel, xerogel and aerogel is reported as an alternative method to obtain novel metal-organic porous materials, conceptually different to conventional crystalline porous coordination polymer (PCPs or metal-organic frameworks (MOFs. Although the work herein reported is focused upon a particular kind of coordination polymer ([M(μ-ox(4-apy2]n, M: Co(II, Ni(II, the results are of interest in the field of porous materials and of MOFs, as the employed synthetic approach implies that any coordination polymer could be processable as a mesoporous material. The polymerization conditions were fixed to obtain stiff gels at the synthesis stage. Gels were dried at ambient pressure and at supercritical conditions to render well shaped monolithic xerogels and aerogels, respectively. The monolithic shape of the synthesis product is another remarkable result, as it does not require a post-processing or the use of additives or binders. The aerogels of the 1D coordination polymers are featured by exhibiting high pore volumes and diameters ranging in the mesoporous/macroporous regions which endow to these materials the ability to deal with large-sized molecules. The aerogel monoliths present markedly low densities (0.082–0.311 g·cm−3, an aspect of interest for applications that persecute light materials.

  2. ASTM D395 Short-Term Compression Set of Solid (Non-Porous) Siloxanes: SE 1700, Sylgard 184, and "New" M9787

    Energy Technology Data Exchange (ETDEWEB)

    Small, Ward [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pearson, Mark A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Jensen, Wayne A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-09-13

    Compression set of solid (non-porous) Dow Corning SE 1700, Sylgard 184, and “new” M9787 siloxane elastomers was measured according to ASTM D395 Method B. Specimens of SE 1700 were made using (1) the manufacturer’s suggested cure of 150°C for 30 min and (2) an extended cure of 60°C for 6 h and 150°C for 1 h followed by a post-cure under nitrogen purge at 125°C for 12 h. Four specimens of each material were aged at 25-27% compressive strain at 70°C under nitrogen purge for 70 h. Final thickness of each specimen was measured after a 30-min cooling/relaxation period, and compression set relative to deflection was calculated. The average compression set relative to deflection was 6.0% for SE 1700 made using the extended cure and post-cure, 11.3% for SE 1700 made using the manufacturer’s suggested cure, 12.1% for Sylgard 184, and 1.9% for M9787. The extended cure and post-cure reduced the amount of compression set in SE 1700.

  3. EXAFS characterization of amorphous GaAs

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

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

  4. Amorphous metals for radial airgap electric machines

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-08-01

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

  5. Tritiated amorphous silicon for micropower applications

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-10-01

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

  6. Solid-state diffusion in amorphous zirconolite

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-11-14

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

  7. Neutron irradiation induced amorphization of silicon carbide

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-09-01

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

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

    OpenAIRE

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

    2016-01-01

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

  9. Drug excipient behavior in polymeric amorphous solid dispersions

    OpenAIRE

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

    2013-01-01

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

  10. Formation and crystallization of bulk Pd82Si18 amorphous alloys

    Institute of Scientific and Technical Information of China (English)

    蒲建; 王敬丰; 肖建中; 崔昆

    2003-01-01

    Bulk amorphous Pd82Si18 alloy with the largest diameter of 8 mm was prepared by water quenching the molten alloy with flux medium in a quartz tube. The calculation result indicates that the bulk Pd82Si18 amorphous alloys have a low critical cooling rate (Rc) of 4.589 K/s or less. The experimental results show that purifying melt may improve glass forming ability(GFA) of undercooled melt, while liquid phase separation (LPS) of undercooled melt will decrease its GFA. There are some differences in crystallization experiments between bulk metallic glass and amorphous ribbons of Pd82Si18 alloys. These include the numbers of exothermic peak, glass transition temperature Tg, crystallization temperature Tx, region of undercooling liquid (ΔT=Tx-Tg) respectively. The links of cooling rates of melt and crystallization of Pd82Si18 amorphous alloys are explored.

  11. The influence of pressure on the intrinsic dissolution rate of amorphous indomethacin

    DEFF Research Database (Denmark)

    Löbmann, Korbinian; Flouda, Konstantina; Qiu, Danwen

    2014-01-01

    New drug candidates increasingly tend to be poorly water soluble. One approach to increase their solubility is to convert the crystalline form of a drug into the amorphous form. Intrinsic dissolution testing is an efficient standard method to determine the intrinsic dissolution rate (IDR) of a drug...... and to test the potential dissolution advantage of the amorphous form. However, neither the United States Pharmacopeia (USP) nor the European Pharmacopeia (Ph.Eur) state specific limitations for the compression pressure in order to obtain compacts for the IDR determination. In this study, the influence......, compression pressure had an impact on the IDR of pure amorphous IND compacts. Above a critical compression pressure, amorphous particles sintered to form a single compact with dissolution properties similar to quench-cooled disc and crystalline IND compacts. In such a case, the apparent dissolution advantage...

  12. Dehydration and crystallization of amorphous calcium carbonate in solution and in air.

    Science.gov (United States)

    Ihli, Johannes; Wong, Wai Ching; Noel, Elizabeth H; Kim, Yi-Yeoun; Kulak, Alexander N; Christenson, Hugo K; Duer, Melinda J; Meldrum, Fiona C

    2014-01-01

    The mechanisms by which amorphous intermediates transform into crystalline materials are poorly understood. Currently, attracting enormous interest is the crystallization of amorphous calcium carbonate, a key intermediary in synthetic, biological and environmental systems. Here we attempt to unify many contrasting and apparently contradictory studies by investigating this process in detail. We show that amorphous calcium carbonate can dehydrate before crystallizing, both in solution and in air, while thermal analyses and solid-state nuclear magnetic resonance measurements reveal that its water is present in distinct environments. Loss of the final water fraction--comprising less than 15% of the total--then triggers crystallization. The high activation energy of this step suggests that it occurs by partial dissolution/recrystallization, mediated by surface water, and the majority of the particle then crystallizes by a solid-state transformation. Such mechanisms are likely to be widespread in solid-state reactions and their characterization will facilitate greater control over these processes.

  13. Hydrogen effusion from tritiated amorphous silicon

    Science.gov (United States)

    Kherani, N. P.; Liu, B.; Virk, K.; Kosteski, T.; Gaspari, F.; Shmayda, W. T.; Zukotynski, S.; Chen, K. P.

    2008-01-01

    Results for the effusion and outgassing of tritium from tritiated hydrogenated amorphous silicon (a-Si:H:T) films are presented. The samples were grown by dc-saddle field glow discharge at various substrate temperatures between 150 and 300°C. The tracer property of radioactive tritium is used to detect tritium release. Tritium effusion measurements are performed in a nonvacuum ion chamber and are found to yield similar results as reported for standard high vacuum technique. The results suggest for decreasing substrate temperature the growth of material with an increasing concentration of voids. These data are corroborated by analysis of infrared absorption data in terms of microstructure parameters. For material of low substrate temperature (and high void concentration) tritium outgassing in air at room temperature was studied, and it was found that after 600h about 0.2% of the total hydrogen (hydrogen+tritium) content is released. Two rate limiting processes are identified. The first process, fast tritium outgassing with a time constant of 15h, seems to be related to surface desorption of tritiated water (HTO) with a free energy of desorption of 1.04eV. The second process, slow tritium outgassing with a time constant of 200-300h, appears to be limited by oxygen diffusivity in a growing oxide layer. This material of lowest H stability would lose half of the hydrogen after 60years.

  14. Compaction of amorphous iron–boron powder

    DEFF Research Database (Denmark)

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

    1993-01-01

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

  15. Bulk amorphous metallic alloys: Synthesis by fluxing techniques and properties

    Energy Technology Data Exchange (ETDEWEB)

    He, Yi; Shen, Tongde; Schwarz, R.B.

    1997-05-01

    Bulk amorphous alloys having dimensions of at least 1 cm diameter have been prepared in the Pd-Ni-P, Pd-Cu-P, Pd-Cu-Ni-P, and Pd-Ni-Fe-P systems using a fluxing and water quenching technique. The compositions for bulk glass formation have been determined in these systems. For these bulk metallic glasses, the difference between the crystallization temperature T{sub x}, and the glass transition temperature T{sub g}, {Delta}T = T{sub x} - T{sub g}, ranges from 60 to 1 10 K. These large values of {Delta}T open the possibility for the fabrication of amorphous near net-shape components using techniques such as injection molding. The thermal, elastic, and magnetic properties of these alloys have been studied, and we have found that bulk amorphous Pd{sub 40}Ni{sub 22.5}Fe{sub 17.5}P{sub 20} has spin glass behavior for temperatures below 30 K. 65 refs., 14 figs., 3 tabs.

  16. Inhibition of surface crystallisation of amorphous indomethacin particles in physical drug-polymer mixtures.

    Science.gov (United States)

    Priemel, Petra A; Laitinen, Riikka; Barthold, Sarah; Grohganz, Holger; Lehto, Vesa-Pekka; Rades, Thomas; Strachan, Clare J

    2013-11-18

    Surface coverage may affect the crystallisation behaviour of amorphous materials. This study investigates crystallisation inhibition in powder mixtures of amorphous drug and pharmaceutical excipients. Pure amorphous indomethacin (IMC) powder and physical mixtures thereof with Eudragit(®) E or Soluplus(®) in 3:1, 1:1 and 1:3 (w/w) ratios were stored at 30 °C and 23 or 42% RH. Samples were analysed during storage by X-ray powder diffraction, thermogravimetric analysis, differential scanning calorimetry, and scanning electron microscopy (SEM). IMC Eudragit(®) mixtures showed higher physical stability than pure IMC whereas IMC Soluplus(®) mixtures did not. Water uptake was higher for mixtures containing Soluplus(®) than for amorphous IMC or IMC Eudragit(®) mixtures. However, the Tg of amorphous IMC was unaffected by the presence (and nature) of polymer. SEM revealed that Eudragit(®) particles aggregated on the surface of IMC particles, whereas Soluplus(®) particles did not. The drug particles developed multiple crystallites at their surface with subsequent crystal growth. The intimate contact between the surface agglomerated Eudragit(®) particles and drug is believed to inhibit crystallisation through reduced IMC surface molecular mobility. Polymer particles may also mechanically hinder crystal growth outwards from the surface. This work highlights the importance of microparticulate surface coverage of amorphous drug particles on their stability.

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

    Science.gov (United States)

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

    2014-07-15

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

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

    Science.gov (United States)

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

    2009-11-17

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

  19. Surface Acidity of Amorphous Aluminum Hydroxide

    Institute of Scientific and Technical Information of China (English)

    K. FUKUSHI; K. TSUKIMURA; H. YAMADA

    2006-01-01

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

  20. Bulk amorphous Mg-based alloys

    DEFF Research Database (Denmark)

    Pryds, Nini

    2004-01-01

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

  1. Theoretical Considerations in Developing Amorphous Solid Dispersions

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  2. Tracer Diffusion Mechanism in Amorphous Solids

    Directory of Open Access Journals (Sweden)

    P. K. Hung

    2011-01-01

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

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

    Science.gov (United States)

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

    2014-05-05

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

  4. A Magnetic Sensor with Amorphous Wire

    Directory of Open Access Journals (Sweden)

    Dongfeng He

    2014-06-01

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

  5. Amorphous Carbon-Boron Nitride Nanotube Hybrids

    Science.gov (United States)

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

    2016-01-01

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

  6. A Magnetic Sensor with Amorphous Wire

    OpenAIRE

    Dongfeng He; Mitsuharu Shiwa

    2014-01-01

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

  7. Thermal transport in amorphous materials: a review

    Science.gov (United States)

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

    2016-11-01

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

  8. Temperature- and moisture-induced crystallization of amorphous lactose in composite particles with sodium alginate prepared by spray-drying.

    Science.gov (United States)

    Takeuchi, H; Yasuji, T; Yamamoto, H; Kawashima, Y

    2000-01-01

    The purpose of this study was to investigate the temperature- and moisture-induced crystallization of amorphous lactose in the composite particles prepared by spray-drying an aqueous solution of crystalline lactose and sodium alginate. The temperature-induced crystallization of amorphous lactose in the composite particles was suppressed by increasing the amount of sodium alginate in the particles. The stabilizing effect of sodium alginate on amorphous lactose in the composite particles was greater than that in physical mixtures having the same formulating ratios. The improved stability of amorphous lactose in the composite particles was attributed to an increase in the glass transition temperature (Tg) of the mixture. Moisture-induced crystallization of amorphous lactose was also retarded by increasing the amount of sodium alginate in composite particles. Although the Tg of the mixture was reduced by increasing the water content of the particles, the values were higher than that of 100% amorphous lactose when particles of the same water content were compared. The change in the Tg of the composite particles with increasing water content was interpreted as involving three components of the Gordon-Taylor equation. In the amorphous lactose-sodium alginate systems, the Tg values of the composite particles containing sodium alginate were higher than the theoretical line predicted by two components of the Gordon-Taylor equation. These results suggested that there was a specific interaction between the sodium alginate and lactose molecules. This specific interaction was suggested by the fact that only very little amorphous lactose was measured in the spray-dried composite particles stored under humid conditions using differential scanning calorimetry. This molecular interaction may also be partly responsible for the suppression of both the temperature- and moisture-induced crystallization of amorphous lactose in the composite particles.

  9. Electrons and phonons in amorphous semiconductors

    Science.gov (United States)

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

    2016-07-01

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

  10. Iron-based amorphous alloys and methods of synthesizing iron-based amorphous alloys

    Science.gov (United States)

    Saw, Cheng Kiong; Bauer, William A.; Choi, Jor-Shan; Day, Dan; Farmer, Joseph C.

    2016-05-03

    A method according to one embodiment includes combining an amorphous iron-based alloy and at least one metal selected from a group consisting of molybdenum, chromium, tungsten, boron, gadolinium, nickel phosphorous, yttrium, and alloys thereof to form a mixture, wherein the at least one metal is present in the mixture from about 5 atomic percent (at %) to about 55 at %; and ball milling the mixture at least until an amorphous alloy of the iron-based alloy and the at least one metal is formed. Several amorphous iron-based metal alloys are also presented, including corrosion-resistant amorphous iron-based metal alloys and radiation-shielding amorphous iron-based metal alloys.

  11. Tenacity of human norovirus and the surrogates feline calicivirus and murine norovirus during long-term storage on common nonporous food contact surfaces.

    Science.gov (United States)

    Mormann, Sascha; Heißenberg, Cathrin; Pfannebecker, Jens; Becker, Barbara

    2015-01-01

    The transfer of human norovirus (hNV) to food via contaminated surfaces is highly probable during food production, processing, and preparation. In this study, the tenacity of hNV and its cultivable surrogates feline calicivirus (FCV) and murine norovirus (MNV) on two common nonporous surface materials at two storage temperatures was directly compared. Virus titer reduction on artificially inoculated stainless steel and plastic carriers was monitored for 70 days at room temperature and at 7°C. Viruses were recovered at various time points by elution. Genomes from intact capsids (hNV, FCV, and MNV) were quantified with real-time reverse transcription (RT) PCR, and infectivity (FCV and MNV) was assessed with plaque assay. RNase treatment before RNA extraction was used to eliminate exposed RNA and to assess capsid integrity. No significant differences in titer reduction were found between materials (stainless steel or plastic) with the plaque assay or the real-time quantitative RT-PCR. At room temperature, infectious FCV and MNV were detected for 7 days. Titers of intact hNV, FCV, and MNV capsids dropped gradually and were still detectable after 70 days with a loss of 3 to 4 log units. At 7°C, the viruses were considerably more stable than they were at room temperature. Although only MNV infectivity was unchanged after 70 days, the numbers of intact capsids (hNV, FCV, and MNV) were stable with less than a 1-log reduction. The results indicate that hNV persists on food contact surfaces and seems to remain infective for weeks. MNV appears to be more stable than FCV at 7°C, and thus is the most suitable surrogate for hNV under dry conditions. Although a perfect quantitative correlation between intact capsids and infective particles was not obtained, real-time quantitative RT-PCR provided qualitative data about hNV inactivation characteristics. The results of this comparative study might support future efforts in assessment of foodborne virus risk and food safety.

  12. Standard practice for visible penetrant testing using the Water-Washable process

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 This practice describes procedures for visible liquid penetrant examination utilizing the water-washable process. It is a nondestructive practice for detecting discontinuities that are open to the surface such as cracks, seams, laps, cold shuts, laminations, isolated porosity, through leaks or lack of fusion and is applicable to in-process, final, and maintenance examination. This practice can be effectively used in the examination of nonporous, metallic materials, both ferrous and nonferrous, and of nonmetallic materials such as glazed or fully densified ceramics, and certain nonporous plastics, and glass. 1.2 This practice also provides the following references: 1.2.1 A reference by which visible penetrant examination procedures using the water-washable process can be reviewed to ascertain their applicability and completeness. 1.2.2 For use in the preparation of process specifications dealing with the visible, water-washable liquid penetrant examination of materials and parts. Agreement between the user...

  13. Standard practice for fluorescent liquid penetrant testing using the Water-Washable process

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 This practice covers procedures for water-washable fluorescent penetrant examination of materials. It is a nondestructive testing method for detecting discontinuities that are open to the surface such as cracks, seams, laps, cold shuts, laminations, isolated porosity, through leaks, or lack of porosity and is applicable to in-process, final, and maintenance examination. It can be effectively used in the examination of nonporous, metallic materials, both ferrous and nonferrous, and of nonmetallic materials such as glazed or fully densified ceramics and certain nonporous plastics and glass. 1.2 This practice also provides a reference: 1.2.1 By which a fluorescent penetrant examination method using the water-washable process recommended or required by individual organizations can be reviewed to ascertain its applicability and completeness. 1.2.2 For use in the preparation of process specifications dealing with the water-washable fluorescent penetrant examination of materials and parts. Agreement by the purch...

  14. Water

    Science.gov (United States)

    ... www.girlshealth.gov/ Home Nutrition Nutrition basics Water Water Did you know that water makes up more ... to drink more water Other drinks How much water do you need? top Water is very important, ...

  15. Amorphous silicon detectors in positron emission tomography

    Energy Technology Data Exchange (ETDEWEB)

    Conti, M. (Istituto Nazionale di Fisica Nucleare, Pisa (Italy) Lawrence Berkeley Lab., CA (USA)); Perez-Mendez, V. (Lawrence Berkeley Lab., CA (USA))

    1989-12-01

    The physics of the detection process is studied and the performances of different Positron Emission Tomography (PET) system are evaluated by theoretical calculation and/or Monte Carlo Simulation (using the EGS code) in this paper, whose table of contents can be summarized as follows: a brief introduction to amorphous silicon detectors and some useful equation is presented; a Tantalum/Amorphous Silicon PET project is studied and the efficiency of the systems is studied by Monte Carlo Simulation; two similar CsI/Amorphous Silicon PET projects are presented and their efficiency and spatial resolution are studied by Monte Carlo Simulation, light yield and time characteristics of the scintillation light are discussed for different scintillators; some experimental result on light yield measurements are presented; a Xenon/Amorphous Silicon PET is presented, the physical mechanism of scintillation in Xenon is explained, a theoretical estimation of total light yield in Xenon and the resulting efficiency is discussed altogether with some consideration of the time resolution of the system; the amorphous silicon integrated electronics is presented, total noise and time resolution are evaluated in each of our applications; the merit parameters {epsilon}{sup 2}{tau}'s are evaluated and compared with other PET systems and conclusions are drawn; and a complete reference list for Xenon scintillation light physics and its applications is presented altogether with the listing of the developed simulation programs.

  16. Towards upconversion for amorphous silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    de Wild, J.; Rath, J.K.; Schropp, R.E.I. [Utrecht University, Faculty of Science, Debye Institute for Nanomaterials Science, Nanophotonics, P.O. Box 80000, 3508 TA Utrecht (Netherlands); Meijerink, A. [Utrecht University, Faculty of Science, Debye Institute for Nanomaterials Science, Condensed Matter and Interfaces, P.O. Box 80000, 3508 TA Utrecht (Netherlands); van Sark, W.G.J.H.M. [Utrecht University, Copernicus Institute for Sustainable Development and Innovation, Science, Technology and Society, Heidelberglaan 2, 3584 CS Utrecht (Netherlands)

    2010-11-15

    Upconversion of subbandgap light of thin film single junction amorphous silicon solar cells may enhance their performance in the near infrared (NIR). In this paper we report on the application of the NIR-vis upconverter {beta}-NaYF{sub 4}:Yb{sup 3+}(18%) Er{sup 3+}(2%) at the back of an amorphous silicon solar cell in combination with a white back reflector and its response to infrared irradiation. Current-voltage measurements and spectral response measurements were done on experimental solar cells. An enhancement of 10 {mu}A/cm{sup 2} was measured under illumination with a 980 nm diode laser (10 mW). A part of this was due to defect absorption in localized states of the amorphous silicon. (author)

  17. Structural Evolution of Compressing Amorphous Ice

    Institute of Scientific and Technical Information of China (English)

    WANG Yan; DONG Shun-Le

    2007-01-01

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

  18. Raman Amplifier Based on Amorphous Silicon Nanoparticles

    Directory of Open Access Journals (Sweden)

    M. A. Ferrara

    2012-01-01

    Full Text Available The observation of stimulated Raman scattering in amorphous silicon nanoparticles embedded in Si-rich nitride/silicon superlattice structures (SRN/Si-SLs is reported. Using a 1427 nm continuous-wavelength pump laser, an amplification of Stokes signal up to 0.9 dB/cm at 1540.6 nm and a significant reduction in threshold power of about 40% with respect to silicon are experimentally demonstrated. Our results indicate that amorphous silicon nanoparticles are a great promise for Si-based Raman lasers.

  19. Post-treatment of Plasma-Sprayed Amorphous Ceramic Coatings by Spark Plasma Sintering

    Science.gov (United States)

    Chraska, T.; Pala, Z.; Mušálek, R.; Medřický, J.; Vilémová, M.

    2015-04-01

    Alumina-zirconia ceramic material has been plasma sprayed using a water-stabilized plasma torch to produce free standing coatings. The as-sprayed coatings have very low porosity and are mostly amorphous. The amorphous material crystallizes at temperatures above 900 °C. A spark plasma sintering apparatus has been used to heat the as-sprayed samples to temperatures above 900 °C to induce crystallization, while at the same time, a uniaxial pressure of 80 MPa has been applied to their surface. After such post-treatment, the ceramic samples are crystalline and have very low open porosity. The post-treated material exhibits high hardness and significantly increased flexural strength. The post-treated samples have a microstructure that is best described as nanocomposite with the very small crystallites embedded in an amorphous matrix.

  20. Rapid amorphization of molecular crystals by absorption of solvent molecules in the presence of hydrophilic matrices

    Energy Technology Data Exchange (ETDEWEB)

    Nakayama, S., E-mail: nakayama@nara-m.co.j [Technofarm Axesz Co., Ltd., 3-45-4 Kamiishihara, Chofu, Tokyo 182-0035 (Japan); Nara Machinery Co., Ltd., 2-5-7 Jounan-jima, Tokyo 143-0002 (Japan); Watanabe, T. [Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan); Senna, M. [Technofarm Axesz Co., Ltd., 3-45-4 Kamiishihara, Chofu, Tokyo 182-0035 (Japan); Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Yokohama 223-8522 (Japan)

    2009-08-26

    Two organic molecular crystalline species, ibuprophen (IB) and indomethacine (IM) were subjected to methanol absorption in the presence of hydrophilic organic matrix, hydroxypropyl methylcellulose (HPMC). While spraying of 8-10% methanol or water on the drug-matrix mixture decreased the subsequent milling time for amorphization, absorption of methanol in a closed container caused spontaneous amorphization of IB was observed to give a nanocomposites with macroscopic agglomerates up to 250 mum after methanol absorption for overnight. Gentle mechanical homogenization under saturated methanol vapor with a newly developed apparatus, a tandem rotation mill (TRM), brought about homogeneous grains of IB-HPMC nanocomposites with the average particle size, 30 mum. We observed amorphous particles of IB in 60 nm regime dispersed in HPMC matrix under a transmission electron microscope (TEM). In the case of IM, mechanical homogenization with TRM was indispensable to obtain similar nanocomposites with HPMC.

  1. Enhanced proton conductivity of niobium phosphates by interfacing crystal grains with an amorphous functional phase

    DEFF Research Database (Denmark)

    Huang, Yunjie; Yu, Lele; Li, Haiyan

    2016-01-01

    Niobium phosphate is an interesting proton conductor operational in the intermediate temperature range. In the present work two forms of phosphates were prepared: an amorphous one with high specific area and a crystalline one with low specific surface area. Both phosphates exhibited very low proton...... conductivities. An activation process was developed to convert the phosphates into crystal grains with a phosphorus rich amorphous phase along the grain boundaries. As a result, the obtained niobium phosphates showed considerably enhanced and stable proton conductivities. The activation effect was prominent when...... the high surface area amorphous phosphate was used as the precursor. At 250 °C thus obtained niobium phosphate showed a high and stable conductivity of 0.03 S cm−1 under dry atmosphere and of 0.06 S cm−1 at a water partial pressure of 0.12 atm....

  2. Amorphous metallic alloys for oxygen reduction reaction in a polymer electrolyte membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Huerta, R.; Guerra-Martinez, I.; Lopez, J.S. [Inst. Politecnico Nacional, ESIQIE, Mexico City (Mexico). Lab. de Electroquimica; Pierna, A.R. [Basque Country Univ., San Sebastian (Spain). Dept. of Chemical Engineering and Environment; Solorza-Feria, O. [Inst. Politenico Nacional, Centro de Investigacion y de Estudios Avanzados, Mexico City (Mexico). Dept. de Quimica

    2010-07-15

    Direct methanol fuel cells (DMFC) and polymer electrolyte membrane fuel cells (PEMFC) represent an important, environmentally clean energy source. This has motivated extensive research on the synthesis, characterization and evaluation of novel and stable oxygen reduction electrocatalysts for the direct four-electron transfer process to water formation. Studies have shown that amorphous alloyed compounds can be used as electrode materials in electrochemical energy conversion devices. Their use in PEMFCs can optimize the electrocatalyst loading in the membrane electrode assembly (MEA). In this study, amorphous metallic PtSn, PtRu and PtRuSn alloys were synthesized by mechanical milling and used as cathodes for the oxygen reduction reaction (ORR) in sulphuric acid and in a single PEM fuel cell. Two different powder morphologies were observed before and after the chemical activation in a hydrofluoric acid (HF) solution at 25 degrees C. The kinetics of the ORR on the amorphous catalysts were investigated. The study showed that the amorphous metallic PtSn electrocatalyst was the most active of the 3 electrodes for the cathodic reaction. Fuel cell experiments were conducted at various temperatures at 30 psi for hydrogen (H{sub 2}) and at 34 psi for oxygen (O{sub 2}). MEAs made of Nafion 115 and amorphous metallic PtSn dispersed on carbon powder in a PEMFC had a power density of 156 mW per cm{sup 2} at 0.43V and 80 degrees C. 12 refs., 1 tab., 5 figs.

  3. Modeling Physical Stability of Amorphous Solids Based on Temperature and Moisture Stresses.

    Science.gov (United States)

    Zhu, Donghua Alan; Zografi, George; Gao, Ping; Gong, Yuchuan; Zhang, Geoff G Z

    2016-09-01

    Isothermal microcalorimetry was utilized to monitor the crystallization process of amorphous ritonavir (RTV) and its hydroxypropylmethylcellulose acetate succinate-based amorphous solid dispersion under various stressed conditions. An empirical model was developed: ln(τ)=ln(A)+EaRT-b⋅wc, where τ is the crystallization induction period, A is a pre-exponential factor, Ea is the apparent activation energy, b is the moisture sensitivity parameter, and wc is water content. To minimize the propagation of errors associated with the estimates, a nonlinear approach was used to calculate mean estimates and confidence intervals. The physical stability of neat amorphous RTV and RTV in hydroxypropylmethylcellulose acetate succinate solid dispersions was found to be mainly governed by the nucleation kinetic process. The impact of polymers and moisture on the crystallization process can be quantitatively described by Ea and b in this Arrhenius-type model. The good agreement between the measured values under some less stressful test conditions and those predicted, reflected by the slope and R(2) of the correlation plot of these 2 sets of data on a natural logarithm scale, indicates its predictability of long-term physical stability of amorphous RTV in solid dispersions. To further improve the model, more understanding of the impact of temperature and moisture on the amorphous physical stability and fundamentals regarding nucleation and crystallization is needed.

  4. Solvent-mediated amorphous-to-crystalline transformation of nitrendipine in amorphous particle suspensions containing polymers

    DEFF Research Database (Denmark)

    Xia, Dengning; Wu, Jian-Xiong; Cui, Fude;

    2012-01-01

    quantitatively determined using image analysis based on polarized light microscopy. The findings from the image analysis revealed that the transformation process occurred through the dissolution of amorphous drug precipitate followed by the nucleation and growth of the crystalline phase with the amorphous....... However, a further increase in drug concentration to 100mg/ml decelerated the growth of nitrendipine crystals. Combining image analysis of polarized light micrographs together with Raman spectroscopy and XRPD provided an in-depth insight into solid state transformations in amorphous nitrendipine...

  5. 无定型纳米TiO2吸附去除饮用水中的低浓度As(Ⅲ)%As(Ⅲ)removal from low-arsenic concentration drinking water by adsorption with nanoparticle amorphous titanium dioxide

    Institute of Scientific and Technical Information of China (English)

    唐玉朝; 李新; 伍昌年; 张海平; 黄显怀; 汤利华

    2013-01-01

    Arsenite (Ⅲ) removal from low-arsenic concentration drinking water by adsorption with nano-scale hydrous amorphous TiO2 prepared from hydrolysis of tetrabutyl titanate ( Ti ( OC4 H9 )4) solution were researched. The amorphous TiO2 nanoparticles size ranged from 1. 9 to 6 nm with BET surface area of 205 m2/g. The nanoparticles adsorbent size calculated by BJH adsorption average pore diameter (4V/A) was 4. 02 nm. As (Ⅲ) adsorption kinetics data were found to be well described by the pseudo-second order model. Most of As (Ⅲ) in the solution can be adsorbed onto amorphous hydrous TiO2 adsorbent in a very short time even less than 20 min, which is beneficial to engineering application of the materials for purification water. Constant of the adsorption rate of As(Ⅲ) removal increased from 0. 018 to 0. 027 L/( mg · min) with the pH increased from 3. 04 to 9. 3 , but dramatic decreased to 0. 0101 L/(mg · min) with increasing pH from 9. 3 to 12. 11. The maximum adsorption pH value at 9. 3 was coincident with the first dissociation constant of pK1 of H3 AsO3 at 9. 22. Adsorption data obtained were fitted to Langmuir, Freundlich and Dubinin-Radushkevich models well if the equilibrium concentration of As(Ⅲ) was less than 220 μg/L.%研究了纳米无定型TiO2颗粒对饮用水中低浓度的三价砷As(Ⅲ)吸附行为.纳米TiO2颗粒吸附剂的BET表面积为205 m2/g,计算的BJH吸附平均孔径为4.02 nm(4 V/A).对起始As(Ⅲ)浓度为150 μg/L的模拟含砷水,经过5h的吸附处理后残余浓度不足4μg/L,As(Ⅲ)去除率达到97%.反应起始阶段吸附速率较快,84%的As(Ⅲ)能够在20min内去除.As(Ⅲ)吸附动力学较好地符合拟二级动力学模式.最佳As(Ⅲ)吸附pH为9.3,低于此值,随酸性增加吸附速率有所降低;而高于此值的强碱性pH对吸附有强烈抑制作用.在平衡浓度较低的情形下(10~220 μg/L),Langmuir,Freundlich和Dubinin-Radushkevich(D-R)吸附等温式均可较好拟合吸附行为,

  6. An example of how to handle amorphous fractions in API during early pharmaceutical development: SAR114137--a successful approach.

    Science.gov (United States)

    Petzoldt, Christine; Bley, Oliver; Byard, Stephen J; Andert, Doris; Baumgartner, Bruno; Nagel, Norbert; Tappertzhofen, Christoph; Feth, Martin Philipp

    2014-04-01

    The so-called pharmaceutical solid chain, which encompasses drug substance micronisation to the final tablet production, at pilot plant scale is presented as a case study for a novel, highly potent, pharmaceutical compound: SAR114137. Various solid-state analytical methods, such as solid-state Nuclear Magnetic Resonance (ssNMR), Differential Scanning Calorimetry (DSC), Dynamic Water Vapour Sorption Gravimetry (DWVSG), hot-stage Raman spectroscopy and X-ray Powder Diffraction (XRPD) were applied and evaluated to characterise and quantify amorphous content during the course of the physical treatment of crystalline active pharmaceutical ingredient (API). DSC was successfully used to monitor the changes in amorphous content during micronisation of the API, as well as during stability studies. (19)F solid-state NMR was found to be the method of choice for the detection and quantification of low levels of amorphous API, even in the final drug product (DP), since compaction during tablet manufacture was identified as a further source for the formation of amorphous API. The application of different jet milling techniques was a critical factor with respect to amorphous content formation. In the present case, the change from spiral jet milling to loop jet milling led to a decrease in amorphous API content from 20-30 w/w% to nearly 0 w/w% respectively. The use of loop jet milling also improved the processability of the API. Stability investigations on both the milled API and the DP showed a marked tendency for recrystallisation of the amorphous API content on exposure to elevated levels of relative humidity. No significant impact of amorphous API on either the chemical stability or the dissolution rate of the API in drug formulation was observed. Therefore, the presence of amorphous content in the oral formulation was of no consequence for the clinical trial phases I and II.

  7. Reversible devitrification in amorphous As2 Se3 under pressure

    DEFF Research Database (Denmark)

    Ahmad, Azkar Saeed; Lou, Hong Bo; Lin, Chuan Long

    2016-01-01

    In pressure-induced reversible structural transitions, the term "reversible" refers to the recovery of the virgin structure in a material upon complete decompression. Pressure-induced amorphous-to-crystalline transitions have been claimed to be reversible, but evidence that amorphous material...... recovers its virgin amorphous structure upon complete depressurization has been lacking. In amorphous As2Se3 (a-As2Se3) chalcogenide, however, we report a novel reversible amorphous-to-crystalline transition that provides compelling experimental evidence that upon complete decompression, the recovered...... amorphous phase is structurally the same as that of the virgin (as-cast) amorphous phase. Combining the experimental results with ab initio molecular dynamics simulations, we elucidate that the amorphization is mediated by a surplus of total free energy in the high-pressure face-centered cubic phase...

  8. Production, Properties and Applications of Bulk Amorphous Alloys

    Institute of Scientific and Technical Information of China (English)

    Tao Zhang; Akihisa Inoue

    2000-01-01

    A review is given of recent work concerned with the production method, the characteristic properties(1) Bulk amorphous system; (2) Mechanical and magnetic properties of bulkamorphous alloys; (3)application of bulk amorphous alloys.

  9. Facile formation of co-amorphous atenolol and hydrochlorothiazide mixtures via cryogenic-milling: Enhanced physical stability, dissolution and pharmacokinetic profile.

    Science.gov (United States)

    Moinuddin, Sakib M; Ruan, Sida; Huang, Yuting; Gao, Qin; Shi, Qin; Cai, Baochang; Cai, Ting

    2017-09-08

    The development of poorly water-soluble drugs faces the risk of low bioavailability and therapeutic efficacy. The co-amorphous drug delivery system has recently gained considerable interest because it offers an alternative approach to modify properties of poorly water-soluble drugs. Herein, we developed a co-amorphous system of atenolol (ATE) and poorly water-soluble hydrochlorothiazide (HCT) by means of cryogenic milling. The co-administration of ATE and HCT has been reported to show therapeutic advantages for patients with uncomplicated hypertension. The co-amorphous ATE-HCT sample with 1:1 molar ratio showed excellent physical stability, which could be attributed to the formation of strong molecular interactions between ATE and HCT as evidenced by FT-IR spectra. Compared to the pure crystalline form, amorphous form and physical mixture, HCT in the co-amorphous form exhibited the significantly increased intrinsic dissolution rate, as well as the enhanced bioavailability in the pharmacokinetic study. It was found that the enhanced bioavailability of HCT in the co-amorphous formulation was achieved by the synergistic effect of amorphized HCT and the water-soluble coformer ATE. The present study provides an improved approach to implement the combination therapy of ATE and HCT for potential clinical treatments. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Noise and degradation of amorphous silicon devices

    NARCIS (Netherlands)

    Bakker, J.P.R.

    2003-01-01

    Electrical noise measurements are reported on two devices of the disordered semiconductor hydrogenated amorphous silicon (a-Si:H). The material is applied in sandwich structures and in thin-film transistors (TFTs). In a sandwich configuration of an intrinsic layer and two thin doped layers, the obse

  11. Amorphous silicon for thin-film transistors

    NARCIS (Netherlands)

    Schropp, Rudolf Emmanuel Isidore

    1987-01-01

    Hydrogenated amorphous silicon (a-Si:H) has considerable potential as a semiconducting material for large-area photoelectric and photovoltaic applications. Moreover, a-Si:H thin-film transistors (TFT’s) are very well suited as switching devices in addressable liquid crystal display panels and addres

  12. Amorphous Alloy and Magnetic Stabilization Bed

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    @@ Sponsored by NSFC,a research team led by Prof.Enze Min (CAS Member) from Research Institute of Petroleum Processing,through 20 years' effort,settled the puzzled grave issue that amorphous alloy material has small specific surface area and low thermal stability.

  13. Unusual photoanisotropic alignment in amorphous azobenzene polymers

    DEFF Research Database (Denmark)

    Ramanujam, P.S.

    2015-01-01

    It is well known that irradiation of azobenzene polymer films between 490 and 530nm results in alignment of molecules perpendicular to the polarization of the incident beam. I have recently found that irradiation of amorphous azobenzene polymers with linearly polarized light at wavelengths between...

  14. Trap level spectroscopy in amorphous semiconductors

    CERN Document Server

    Mikla, Victor V

    2010-01-01

    Although amorphous semiconductors have been studied for over four decades, many of their properties are not fully understood. This book discusses not only the most common spectroscopic techniques but also describes their advantages and disadvantages.Provides information on the most used spectroscopic techniquesDiscusses the advantages and disadvantages of each technique

  15. Athermal nonlinear elastic constants of amorphous solids.

    Science.gov (United States)

    Karmakar, Smarajit; Lerner, Edan; Procaccia, Itamar

    2010-08-01

    We derive expressions for the lowest nonlinear elastic constants of amorphous solids in athermal conditions (up to third order), in terms of the interaction potential between the constituent particles. The effect of these constants cannot be disregarded when amorphous solids undergo instabilities such as plastic flow or fracture in the athermal limit; in such situations the elastic response increases enormously, bringing the system much beyond the linear regime. We demonstrate that the existing theory of thermal nonlinear elastic constants converges to our expressions in the limit of zero temperature. We motivate the calculation by discussing two examples in which these nonlinear elastic constants play a crucial role in the context of elastoplasticity of amorphous solids. The first example is the plasticity-induced memory that is typical to amorphous solids (giving rise to the Bauschinger effect). The second example is how to predict the next plastic event from knowledge of the nonlinear elastic constants. Using the results of our calculations we derive a simple differential equation for the lowest eigenvalue of the Hessian matrix in the external strain near mechanical instabilities; this equation predicts how the eigenvalue vanishes at the mechanical instability and the value of the strain where the mechanical instability takes place.

  16. Amorphous calcium carbonate particles form coral skeletons

    Science.gov (United States)

    Mass, Tali; Giuffre, Anthony J.; Sun, Chang-Yu; Stifler, Cayla A.; Frazier, Matthew J.; Neder, Maayan; Tamura, Nobumichi; Stan, Camelia V.; Marcus, Matthew A.; Gilbert, Pupa U. P. A.

    2017-09-01

    Do corals form their skeletons by precipitation from solution or by attachment of amorphous precursor particles as observed in other minerals and biominerals? The classical model assumes precipitation in contrast with observed “vital effects,” that is, deviations from elemental and isotopic compositions at thermodynamic equilibrium. Here, we show direct spectromicroscopy evidence in Stylophora pistillata corals that two amorphous precursors exist, one hydrated and one anhydrous amorphous calcium carbonate (ACC); that these are formed in the tissue as 400-nm particles; and that they attach to the surface of coral skeletons, remain amorphous for hours, and finally, crystallize into aragonite (CaCO3). We show in both coral and synthetic aragonite spherulites that crystal growth by attachment of ACC particles is more than 100 times faster than ion-by-ion growth from solution. Fast growth provides a distinct physiological advantage to corals in the rigors of the reef, a crowded and fiercely competitive ecosystem. Corals are affected by warming-induced bleaching and postmortem dissolution, but the finding here that ACC particles are formed inside tissue may make coral skeleton formation less susceptible to ocean acidification than previously assumed. If this is how other corals form their skeletons, perhaps this is how a few corals survived past CO2 increases, such as the Paleocene–Eocene Thermal Maximum that occurred 56 Mya.

  17. Electrodeposition of amorphous gold alloy films

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Masaru; Senda, Kazutaka [Central Research Laboratory, Kanto Chemical Co., Inc., Saitama 340-0003 (Japan); Advanced Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Musha, Yuta [Department of Applied Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Sasano, Junji [Kagami Memorial Laboratory for Materials Science and Technology, Waseda University, Tokyo 169-0051 (Japan); Okinaka, Yutaka [Advanced Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Osaka, Tetsuya [Department of Applied Chemistry, School of Science and Engineering, Waseda University, Tokyo 169-8555 (Japan); Kagami Memorial Laboratory for Materials Science and Technology, Waseda University, Tokyo 169-0051 (Japan); Advanced Research Institute for Science and Engineering, Waseda University, Tokyo 169-8555 (Japan)], E-mail: osakatet@waseda.jp

    2007-11-20

    The process for electroplating amorphous gold-nickel-tungsten alloy that we developed previously based on the addition of a gold salt to a known amorphous Ni-W electroplating solution was investigated further using the X-ray diffraction (XRD) method for the purpose of quickly surveying the effects of various experimental variables on the microstructure of the alloy. In this system the gold concentration in the plating bath was found to be critical; i.e., when it is either very low or very high, the deposit becomes crystalline to XRD. The deposit composition varies linearly with the mole ratio of Au to Ni in solution, and the alloy deposit is amorphous to XRD when the atomic ratio of Au/Ni in the deposit is between 0.5 and 1.5. At suitable concentrations of the metal ions, the deposit contains essentially no tungsten. By extending the work on the Au-Ni-W system, an amorphous Au-Co alloy plating process was also developed.

  18. Radiative recombination of excitons in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Jai [School of Engineering and Logistics, Faculty Technology, B-41, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jai.singh@cdu.edu.au

    2005-04-15

    A theory for calculating the radiative lifetime of excitons in amorphous semiconductors is presented. Four possibilities of excitonic radiative recombination are considered and the corresponding rates are derived at thermal equilibrium. The radiative lifetime is calculated from the inverse of the maximum rate for all the four possibilities. Results agree very well with experiments.

  19. Film adhesion in amorphous silicon solar cells

    Indian Academy of Sciences (India)

    A R M Yusoff; M N Syahrul; K Henkel

    2007-08-01

    A major issue encountered during fabrication of triple junction -Si solar cells on polyimide substrates is the adhesion of the solar cell thin films to the substrates. Here, we present our study of film adhesion in amorphous silicon solar cells made on different polyimide substrates (Kapton VN, Upilex-S and Gouldflex), and the effect of tie coats on film adhesion.

  20. Amorphous track models: a numerical comparison study

    DEFF Research Database (Denmark)

    Greilich, Steffen; Grzanka, Leszek; Hahn, Ute;

    Amorphous track models such as Katz' Ion-Gamma-Kill (IGK) approach [1, 2] or the Local Effect Model (LEM) [3, 4] had reasonable success in predicting the response of solid state dosimeters and radiobiological systems. LEM is currently applied in radiotherapy for biological dose optimization in ca...

  1. Amorphous track models: A numerical comparison study

    DEFF Research Database (Denmark)

    Greilich, Steffen; Grzanka, L.; Bassler, N.;

    2010-01-01

    We present an open-source code library for amorphous track modelling which is suppose to faciliate the application and numerical comparability as well as serve as a frame-work for the implementation of new models. We show an example of using the library indicating the choice of submodels has a si...

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

    DEFF Research Database (Denmark)

    Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger;

    2015-01-01

    In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co......-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed...... the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from...

  3. Transitions of amorphous- crystalline-amorphous in bulk metallic glass under HP and HT

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    In-situ SR-XRD measurements revealed that the crystallization process in Zr41.2Ti13.sCu12.5Ni10Be22.5 bulk metallic glass is significantly different from that in traditional glasses. Subsequent heating at 10 GPa converts the sample from amorphous phase into the metastable fcc phase and then leads to the fcc phase back to the amorphous phase,nomena in the material under high pressure and high temperature.``

  4. Multifractal and mechanical analysis of amorphous solid dispersions.

    Science.gov (United States)

    Adler, Camille; Teleki, Alexandra; Kuentz, Martin

    2017-03-09

    The formulation of lipophilic and hydrophobic compounds is a challenge for the pharmaceutical industry and it requires the development of complex formulations. Our first aim was to investigate hot-melt extrudate microstructures by means of multifractal analysis using scanning electron microscopy imaging. Since the microstructure can affect solid dosage form performance such as mechanical properties, a second objective was to study the influence of the type of adsorbent and of the presence of an amorphous compound on extrudate hardness. β-Carotene (BC) was chosen as poorly water-soluble model compound. Formulations containing a polymer, a lipid and two different silica based inorganic carriers were produced by hot-melt extrusion. Based on scanning electron microscopy/energy dispersive X-ray spectroscopy, the obtained images were analyzed using multifractal formalism. The breaking force of the strands was assessed by a three point bending test. Multifractal analysis and three point bending results showed that the nature of interparticle interactions in the inorganic carrier as well as the presence of amorphous BC had an influence on the microstructure and thus on the mechanical performance. The use of multifractal analysis and the study of the mechanical properties were complementary to better characterize and understand complex formulations obtained by hot-melt extrusion.

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

    Science.gov (United States)

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

    1995-01-01

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

  6. Effects of Polymeric Additives on the Crystallization and Release Behavior of Amorphous Ibuprofen

    Directory of Open Access Journals (Sweden)

    Su Yang Lee

    2013-01-01

    Full Text Available Some polymeric additives were studied to understand their effects on the amorphous phase of ibuprofen (IBU, used as a poorly water soluble pharmaceutical model compound. The amorphous IBU in bulk, as well as in nanopores (diameter ~24 nm of anodic aluminum oxide, was examined with the addition of poly(acrylic acid, poly(N-vinyl pyrrolidone, or poly(4-vinylphenol. Results of bulk crystallization showed that they were effective in limiting the crystal growth, while the nucleation of the crystalline phase in contact with water was nearly instantaneous in all cases. Poly(N-vinyl pyrrolidone, the most effective additive, was in specific interaction with IBU, as revealed by IR spectroscopy. The addition of the polymers was combined with the nanoscopic confinement to further stabilize the amorphous phase. Still, the IBU with addition of polymeric additives showed sustained release behavior. The current study suggested that the inhibition of the crystal nucleation was probably the most important factor to stabilize the amorphous phase and fully harness its high solubility.

  7. Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

    Science.gov (United States)

    Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

    2014-11-26

    We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

  8. Microstructure and properties of hydrophobic films derived from Fe-W amorphous alloy

    Institute of Scientific and Technical Information of China (English)

    Song Wang; Yun-han Ling; Jun Zhang; Jian-jun Wang; Gui-ying Xu

    2014-01-01

    Amorphous metals are totally different from crystalline metals in regard to atom arrangement. Amorphous metals do not have grain boundaries and weak spots that crystalline materials contain, making them more resistant to wear and corrosion. In this study, amorphous Fe-W alloy films were first prepared by an electroplating method and were then made hydrophobic by modification with a water repellent (heptadecafluoro-1,1,2,2-tetradecyl) trimethoxysilane. Hierarchical micro-nano structures can be obtained by slightly oxidizing the as-deposited alloy, accompanied by phase transformation from amorphous to crystalline during heat treatment. The mi-cro-nano structures can trap air to form an extremely thin cushion of air between the water and the film, which is critical to producing hydrophobicity in the film. Results show that the average values of capacitance, roughness factor, and impedance for specific surface areas of a 600°C heat-treated sample are greater than those of a sample treated at 500°C. Importantly, the coating can be fabricated on various metal substrates to act as a corrosion retardant.

  9. Applicability of the one-step DVS method for the determination of amorphous amounts for further different hydrophilic and hydrophobic drugs.

    Science.gov (United States)

    Müller, Thorsten; Scherließ, Regina; Schiewe, Jörg; Smal, Rüdiger; Weiler, Claudius; Steckel, Hartwig

    2015-08-01

    In a former publication the authors showed that low amounts of amorphous content (LOQ of 0.5%) in a hydrophobic model API (Ciclesonide) can be measured with an individually adjusted one-step dynamic organic vapor sorption (DVS). In this investigation the applicability is tested on various APIs which differ in lipophilicity (poor water solubility) and hygroscopicity (absorption of water). The vapor sorption method proved to be applicable in almost all cases. Moisture sorption isotherms were determined for all five investigated crystalline and amorphous APIs. However, it was necessary to select the parameters individually for each API. The used solvents (water, methanol, isopropanol and methylene chloride) and the humidity-levels (0.05 p/p0 until 0.5 p/p0) were chosen carefully because otherwise the amorphous amounts switch to their crystalline counterparts and are not detectable. The production of fully amorphous samples (absence of crystalline material measured by DSC, mDSC and XRPD) was optimized over several trials. As successfully methods proved ball-milling, freeze-drying, spray-drying and/or quench cooling. In the next step these fully amorphous amounts were blended with crystalline starting material to calibration curves (Turbula blender, influence of electrostatic charge to homogeneity) for the calculation of amorphous content. In summary, the following presented methods were used to determine and quantify low amorphous amounts (between 1.5% and 17.0%) in jet-milled powders (grinding pressure of 8bar, 1-3 grinding cycles), respectively.

  10. The Effect of Amorphous Silica Residue in the Production of Concrete

    Directory of Open Access Journals (Sweden)

    Elvis M Mbadike

    2013-01-01

    Full Text Available In this research work, the effect of amorphous silica residue (ASR in the production of concrete was investigated. A mix proportion of 1:1.9:3.9 with water/cement ratio of 0.48 was used. The percentage replacement of Ordinary Portland Cement (OPC with amorphous silica residue was 0%, 5%, 10%, 20% and 30%. Concrete cubes of 150mm x 150mm x 150mm and concrete beams of 150mm x 150mm x 600mm of OPC/ASR were cast and cured at 3, 7, 28, 60 and 90 days. At the end of each hydration period, the three concrete cube and beams for each hydration period were crushed and their average compressive and flexural strength recorded. A total of seventy five (75 concrete cubes and seventy five (75 concrete beams were cast. The result of the compressive strength test for 5-30% replacement of cement with amorphous silica residue ranges from 12.78-38.16N/mm2 while the control test (0% replacement ranges from 10.86-26.04N/mm2. The result of the flexural strength test for the same replacement level of cement with amorphous silica residue ranges from 2.29-11.69N/mm2 while the control test ranges from 2.14 – 7.80N/mm2. The initial setting time of OPC/ASR for 5-30% replacement level of cement with amorphous silica residue ranges from 37-53mins while the final setting time ranges from 408-573mins. The initial and final setting time of the control test is 58mins and 580mins respectively. Relevant literature has been cited to justify this research work. The main objective of this work is to determine the effect of amorphous silica residue on the setting time, compressive strength and flexural strength of concrete produced with it.

  11. Role of Amorphous Manganese Oxide in Nitrogen Loss

    Institute of Scientific and Technical Information of China (English)

    LILIANG-MO; WUQI-TU

    1991-01-01

    Studies have been made,by 15N-tracer technique on nitrogen loss resulting from adding amorphous manganese oxide to NH4+-N medium under anaerobic conditions.The fact that the total nitrogen recovery was decreased and that 15NO2,15N2O,15N14NO,15NO,15N2 and 15N14N were emitted has proved that,like amorphous iron oxide,amorphous manganese oxide can also act as an electron acceptor in the oxidation of NH4+-N under anaerobic conditions and give rise to nitrogen loss.This once again illustrates another mechanism by which the loss of ammonium nitrogen in paddy soils is brought about by amorphous iron and manganese oxides.The quantity of nitrogen loss by amorphous manganese oxide increased with an increase in the amount of amorphous manganese oxide added and lessened with time of its aging.The nitrogen loss resulting from amorphous manganese oxide was less than that from amorphous iron oxide.And the nitrogen loss resulting from amorphous manganese oxide was less than that from amorphous iron oxide.And the nitrogen loss by cooperation of amorphous manganese oxide and microorganisms (soil suspension) was larger than that by amorphous manganese oxide alone.In the system,nitrogen loss was associated with the specific surface ares and oxidation-reduction of amorphous manganese oxide.However,their quantitative relationship and the exact reaction processes of nitrogen loss induced by amorphous manganese oxide remain to be further studied.

  12. Enabling thermal processing of ritonavir-polyvinyl alcohol amorphous solid dispersions by KinetiSol® Dispersing.

    Science.gov (United States)

    LaFountaine, Justin S; Jermain, Scott V; Prasad, Leena Kumari; Brough, Chris; Miller, Dave A; Lubda, Dieter; McGinity, James W; Williams, Robert O

    2016-04-01

    Polyvinyl alcohol has received little attention as a matrix polymer in amorphous solid dispersions (ASDs) due to its thermal and rheological limitations in extrusion processing and limited organic solubility in spray drying applications. Additionally, in extrusion processing, the high temperatures required to process often exclude thermally labile APIs. The purpose of this study was to evaluate the feasibility of processing polyvinyl alcohol amorphous solid dispersions utilizing the model compound ritonavir with KinetiSol® Dispersing (KSD) technology. The effects of KSD rotor speed and ejection temperature on the physicochemical properties of the processed material were evaluated. Powder X-ray diffraction and modulated differential scanning calorimetry were used to confirm amorphous conversion. Liquid chromatography-mass spectroscopy was used to characterize and identify degradation pathways of ritonavir during KSD processing and (13)C nuclear magnetic resonance spectroscopy was used to investigate polymer stability. An optimal range of processing conditions was found that resulted in amorphous product and minimal to no drug and polymer degradation. Drug release of the ASD produced from the optimal processing conditions was evaluated using a non-sink, pH-shift dissolution test. The ability to process amorphous solid dispersions with polyvinyl alcohol as a matrix polymer will enable further investigations of the polymer's performance in amorphous systems for poorly water-soluble compounds.

  13. Breakdown of elasticity in amorphous solids

    Science.gov (United States)

    Biroli, Giulio; Urbani, Pierfrancesco

    2016-12-01

    What characterizes a solid is the way that it responds to external stresses. Ordered solids, such as crystals, exhibit an elastic regime followed by a plastic regime, both understood microscopically in terms of lattice distortion and dislocations. For amorphous solids the situation is instead less clear, and the microscopic understanding of the response to deformation and stress is a very active research topic. Several studies have revealed that even in the elastic regime the response is very jerky at low temperature, resembling very much the response of disordered magnetic materials. Here we show that in a very large class of amorphous solids this behaviour emerges upon decreasing temperature, as a phase transition, where standard elastic behaviour breaks down. At the transition all nonlinear elastic moduli diverge and standard elasticity theory no longer holds. Below the transition, the response to deformation becomes history- and time-dependent.

  14. Wear Resistant Amorphous and Nanocomposite Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Racek, O

    2008-03-26

    Glass forming materials (critical cooling rate <10{sup 4}K.s{sup -1}) are promising for their high corrosion and wear resistance. During rapid cooling, the materials form an amorphous structure that transforms to nanocrystalline during a process of devitrification. High hardness (HV 1690) can be achieved through a controlled crystallization. Thermal spray process has been used to apply coatings, which preserves the amorphous/nanocomposite structure due to a high cooling rate of the feedstock particles during the impact on a substrate. Wear properties have been studied with respect to process conditions and feedstock material properties. Application specific properties such as sliding wear resistance have been correlated with laboratory tests based on instrumented indentation and scratch tests.

  15. Fetus Amorphous Acardious – A Case Report

    Directory of Open Access Journals (Sweden)

    N. S. Kamakeri

    2016-04-01

    Full Text Available Fetus amorphous acardious is a rare fetal malformation lacking a functional heart and bearing no resemblance to human embryos. The main differential diagnosis is with placental teratoma and is based on the degree of skeletal organization and umbilical cord formation. A 26 year old woman delivered a healthy newborn at 38 weeks of gestation by caesarian section. An amorphous mass covered with healthy looking skin was connected to the placenta with a short pedicle. Xray examination of the mass revealed the presence of vertebral column associated with ribs and pelvic bones and axial skeleton. Histopathological examination demonstrates the presence of cartilage, bone, adipose tissue, skin with adnexal structures and neural tissue.

  16. Tuning Metamaterials by using Amorphous Magnetic Microwires

    OpenAIRE

    Lopez-Dominguez, V.; Garcia, M.A.; Marin, P.; Hernando, A.

    2017-01-01

    In this work, we demonstrate theoretically and experimentally the possibility of tuning the electromagnetic properties of metamaterials with magnetic fields by incorporating amorphous magnetic microwires. The large permeability of these wires at microwave frequencies allows tuning the resonance of the metamaterial by using magnetic fields of the order of tens of Oe. We describe here the physical basis of the interaction between a prototypical magnetic metamaterial with magnetic microwires and...

  17. Metastable states in amorphous chalcogenide semiconductors

    CERN Document Server

    Mikla, Victor I

    2009-01-01

    This book addresses an interesting and technologically important class of materials, the amorphous chalcogenide semiconductors. Experimental results on the structural and electronic metastable states in Se-rich chalcogenides are presented. Special attention is paid to the states in the mobility gap and their sensitivity to various factors such as irradiation, annealing and composition. Photoinduced changes of structure and physical properties are also considered and structural transformation at photocrystallization is studied in detail. Finally, the authors discuss potential applications of th

  18. Amorphous Silica-Promoted Lysine Dimerization: a Thermodynamic Prediction

    Science.gov (United States)

    Kitadai, Norio; Nishiuchi, Kumiko; Nishii, Akari; Fukushi, Keisuke

    2017-08-01

    It has long been suggested that mineral surfaces played a crucial role in the abiotic polymerization of amino acids that preceded the origin of life. Nevertheless, it remains unclear where the prebiotic process took place on the primitive Earth, because the amino acid-mineral interaction and its dependence on environmental conditions have yet to be understood adequately. Here we examined experimentally the adsorption of L-lysine (Lys) and its dimer (LysLys) on amorphous silica over a wide range of pH, ionic strength, adsorbate concentration, and the solid/water ratio, and determined the reaction stoichiometries and the equilibrium constants based on the extended triple-layer model (ETLM). The retrieved ETLM parameters were then used, in combination with the equilibrium constant for the peptide bond formation in bulk water, to calculate the Lys-LysLys equilibrium in the presence of amorphous silica under various aqueous conditions. Results showed that the silica surface favors Lys dimerization, and the influence varies greatly with changing environmental parameters. At slightly alkaline pH (pH 9) in the presence of a dilute NaCl (1 mM), the thermodynamically attainable LysLys from 0.1 mM Lys reached a concentration around 50 times larger than that calculated without silica. Because of the versatility of the ETLM, which has been applied to describe a wide variety of biomolecule-mineral interactions, future experiments with the reported methodology are expected to provide a significant constraint on the plausible geological settings for the condensation of monomers to polymers, and the subsequent chemical evolution of life.

  19. Method and apparatus for separating hydrogen from gas mixtures by diffusion through a nonporous wall. Verfahren und Vorrichtung zur Abtrennung von Wasserstoff aus Gasgemischen durch Diffusion durch eine nichtporoese Wand

    Energy Technology Data Exchange (ETDEWEB)

    Behr, F.; Weirich, W.; Schulten, R.

    1983-06-23

    A Cu-saturated alloy containing 10-30% Ti, 3-10% V, 25 wt% Nb, and >30% Ta is used as a nonporous membrane for the separation of H from gas mixtures in nuclear reactors by selective diffusion. The primary side of the alloy contacting the gas mixture is coated with a Pd/Cu or Pd/Ag alloy, whereas the secondary side contacts a Na-K, Li, or Ba-Mg-Ca melt, the affinity of which to H is higher than that of the Ta-base alloy and the Pd-Cu or Pd-Ag coating. The alkali or alkaline-earth metal melt increases the diffusion rate of H through the membrane and prevents the formation of brittle hydrides in the membrane.

  20. Rigid, non-porous and tunable hybrid p-aminobenzoate/TiO2 materials: Toward a fine structural determination of the immobilized RhCl(Ph3)3 complex

    KAUST Repository

    Espinas, Jeff

    2015-05-01

    By exchange of ligands, Wilkinson complex RhCl(PPh3)3 are immobilized on p-aminobenzoate/TiO2 with different organic loading (6, 11 and 16%). This new hybrid material exhibit a linear correlation between the ligand content of the starting TiO2 and the rhodium loading, showing the accessibility of all surfaces amines fonctions on the non-porous parent materials. 1H, 13C, and 1D, 2D INAQUEDATE refocused and J-resolved 31P solid-state NMR confirm the well-defined structure [(≡TiO)2(n{right tail}2-O2C-C6H4-NH2)RhCl-cis-(PPh3)2]. New immobilized catalysts show interesting activity in cyclohexene hydroformylation.

  1. Amorphous molybdenum silicon superconducting thin films

    Directory of Open Access Journals (Sweden)

    D. Bosworth

    2015-08-01

    Full Text Available Amorphous superconductors have become attractive candidate materials for superconducting nanowire single-photon detectors due to their ease of growth, homogeneity and competitive superconducting properties. To date the majority of devices have been fabricated using WxSi1−x, though other amorphous superconductors such as molybdenum silicide (MoxSi1−x offer increased transition temperature. This study focuses on the properties of MoSi thin films grown by magnetron sputtering. We examine how the composition and growth conditions affect film properties. For 100 nm film thickness, we report that the superconducting transition temperature (Tc reaches a maximum of 7.6 K at a composition of Mo83Si17. The transition temperature and amorphous character can be improved by cooling of the substrate during growth which inhibits formation of a crystalline phase. X-ray diffraction and transmission electron microscopy studies confirm the absence of long range order. We observe that for a range of 6 common substrates (silicon, thermally oxidized silicon, R- and C-plane sapphire, x-plane lithium niobate and quartz, there is no variation in superconducting transition temperature, making MoSi an excellent candidate material for SNSPDs.

  2. Computer model of tetrahedral amorphous diamond

    Science.gov (United States)

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

    1995-08-01

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

  3. Shock induced crystallization of amorphous Nickel powders

    Science.gov (United States)

    Cherukara, Mathew; Strachan, Alejandro

    2015-06-01

    Recent experimental work has shown the efficacy of amorphous Ni/crystalline Al composites as energetic materials, with flame velocities twice that of a comparable crystalline Ni/crystalline Al system. Of further interest is the recrystallization mechanisms in the pure amorphous Ni powders, both thermally induced and mechanically induced. We present large-scale molecular dynamics simulations of shock-induced recrystallization in loosely packed amorphous Nickel powders. We study the time dependent nucleation and growth processes by holding the shocked samples at the induced pressures and temperatures for extended periods following the passage of the shock (up to 6 ns). We find that the nanostructure of the recrystallized Ni and time scales of recrystallization are dependent on the piston velocity. At low piston velocities, nucleation events are rare, leading to long incubation times and a relatively coarse nanostructure. At higher piston velocities, local variations in temperature due to jetting phenomena and void collapse, give rise to multiple nucleation events on time scales comparable to the passage of the shock wave, leading to the formation of a fine-grained nanostructure. Interestingly, we observe that the nucleation and growth process occurs in two steps, with the first nuclei crystallizing into the BCC structure, before evolving over time into the expected FCC structure. U.S. Defense Threat Reduction Agency, HDTRA1-10-1-0119 (Program Manager Suhithi Peiris).

  4. Concurrent multiscale modeling of amorphous materials

    Science.gov (United States)

    Tan, Vincent

    2013-03-01

    An approach to multiscale modeling of amorphous materials is presented whereby atomistic scale domains coexist with continuum-like domains. The atomistic domains faithfully predict severe deformation while the continuum domains allow the computation to scale up the size of the model without incurring excessive computational costs associated with fully atomistic models and without the introduction of spurious forces across the boundary of atomistic and continuum-like domains. The material domain is firstly constructed as a tessellation of Amorphous Cells (AC). For regions of small deformation, the number of degrees of freedom is then reduced by computing the displacements of only the vertices of the ACs instead of the atoms within. This is achieved by determining, a priori, the atomistic displacements within such Pseudo Amorphous Cells associated with orthogonal deformation modes of the cell. Simulations of nanoscale polymer tribology using full molecular mechanics computation and our multiscale approach give almost identical prediction of indentation force and the strain contours of the polymer. We further demonstrate the capability of performing adaptive simulations during which domains that were discretized into cells revert to full atomistic domains when their strain attain a predetermined threshold. The authors would like to acknowledge the financial support given to this study by the Agency of Science, Technology and Research (ASTAR), Singapore (SERC Grant No. 092 137 0013).

  5. Formation of iron disilicide on amorphous silicon

    Science.gov (United States)

    Erlesand, U.; Östling, M.; Bodén, K.

    1991-11-01

    Thin films of iron disilicide, β-FeSi 2 were formed on both amorphous silicon and on crystalline silicon. The β-phase is reported to be semiconducting with a direct band-gap of about 0.85-0.89 eV. This phase is known to form via a nucleation-controlled growth process on crystalline silicon and as a consequence a rather rough silicon/silicide interface is usually formed. In order to improve the interface a bilayer structure of amorphous silicon and iron was sequentially deposited on Czochralski silicon in an e-gun evaporation system. Secondary ion mass spectrometry profiling (SIMS) and scanning electron micrographs revealed an improvement of the interface sharpness. Rutherford backscattering spectrometry (RBS) and X-ray diffractiometry showed β-FeSi 2 formation already at 525°C. It was also observed that the silicide growth was diffusion-controlled, similar to what has been reported for example in the formation of NiSi 2 for the reaction of nickel on amorphous silicon. The kinetics of the FeSi 2 formation in the temperature range 525-625°C was studied by RBS and the activation energy was found to be 1.5 ± 0.1 eV.

  6. Interactions of hydrogen with amorphous hafnium oxide

    Science.gov (United States)

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

    2017-02-01

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

  7. Solid-state amorphization of rebamipide and investigation on solubility and stability of the amorphous form.

    Science.gov (United States)

    Xiong, Xinnuo; Xu, Kailin; Li, Shanshan; Tang, Peixiao; Xiao, Ying; Li, Hui

    2017-02-01

    Solid-state amorphization of crystalline rebamipide (RBM) was realized by ball milling and spray drying. The amorphous content of samples milled for various time was quantified using X-ray powder diffraction. Crystalline RBM and three amorphous RBM obtained by milling and spray drying were characterized by morphological analysis, X-ray diffraction, thermal analysis and vibrational spectroscopy. The crystal structure of RBM was first determined by single-crystal X-ray diffraction. In addition, the solubility and dissolution rate of the RBM samples were investigated in different media. Results indicated that the solubility and the dissolution rates of spray-dried RBM-PVP in different media were highly improved compared with crystalline RBM. The physical stabilities of the three amorphous RBM were systematically investigated, and the stability orders under different storage temperatures and levels of relative humidity (RH) were both as follows: spray dried RBM < milled RBM < spray dried RBM-PVP. A direct glass-to-crystal transformation was induced under high RH, and the transformation rate rose with increasing RH. However, amorphous RBM could stay stable at RH levels lower than 57.6% (25 °C).

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

    Science.gov (United States)

    Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger; Rades, Thomas; Laitinen, Riikka

    2015-12-03

    In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed that in the spray-dried formulations the remaining crystallinity originated from SLS only. The best dissolution properties and a "spring and parachute" effect were found for SVS spray-dried from a 5% SLS solution without LYS. Despite the presence of at least partially crystalline SLS in the mixtures, all the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from aqueous surfactant solutions was able to produce formulations with improved physical stability for amorphous SVS.

  9. Molecular dynamics simulation of amorphous indomethacin-poly(vinylpyrrolidone) glasses: solubility and hydrogen bonding interactions.

    Science.gov (United States)

    Xiang, Tian-Xiang; Anderson, Bradley D

    2013-03-01

    Amorphous drug dispersions are frequently employed to enhance solubility and dissolution of poorly water-soluble drugs and thereby increase their oral bioavailability. Because these systems are metastable, phase separation of the amorphous components and subsequent drug crystallization may occur during storage. Computational methods to determine the likelihood of these events would be very valuable, if their reliability could be validated. This study investigates amorphous systems of indomethacin (IMC) in poly(vinylpyrrolidone) (PVP) and their molecular interactions by means of molecular dynamics (MD) simulations. IMC and PVP molecules were constructed using X-ray diffraction data, and force-field parameters were assigned by analogy with similar groups in Amber-ff03. Five assemblies varying in PVP and IMC composition were equilibrated in their molten states then cooled at a rate of 0.03 K/ps to generate amorphous glasses. Prolonged aging dynamic runs (100 ns) at 298 K and 1 bar were then carried out, from which solubility parameters, the Flory-Huggins interaction parameter, and associated hydrogen bonding properties were obtained. Calculated glass transition temperature (T(g)) values were higher than experimental results because of the faster cooling rates in MD simulations. Molecular mobility as characterized by atomic fluctuations was substantially reduced below the T(g) with IMC-PVP systems exhibiting lower mobilities than that found in amorphous IMC, consistent with the antiplasticizing effect of PVP. The number of IMC-IMC hydrogen bonds (HBs) formed per IMC molecule was substantially lower in IMC-PVP mixtures, particularly the fractions of IMC molecules involved in two or three HBs with other IMC molecules that may be potential precursors for crystal growth. The loss of HBs between IMC molecules in the presence of PVP was largely compensated for by the formation of IMC-PVP HBs. The difference (6.5 MPa(1/2)) between the solubility parameters in amorphous IMC

  10. Influence of Copolymer Composition on In Vitro and In Vivo Performance of Celecoxib-PVP/VA Amorphous Solid Dispersions

    DEFF Research Database (Denmark)

    Knopp, Matthias Manne; Nguyen, Julia Hoang; Mu, Huiling;

    2016-01-01

    Previous studies suggested that an amorphous solid dispersion with a copolymer consisting of both hydrophobic and hydrophilic monomers could improve the dissolution profile of a poorly water-soluble drug compared to the crystalline form. Therefore, this study investigated the influence...... of the copolymer composition of polyvinylpyrrolidone/vinyl acetate (PVP/VA) on the non-sink in vitro dissolution behavior and in vivo performance of celecoxib (CCX) amorphous solid dispersions. The study showed that the hydrophilic monomer vinylpyrrolidone (VP) was responsible for the generation of CCX...... water-soluble drug as an amorphous solid dispersion using a copolymer, the copolymer composition has a significant influence on the dissolution profile and in vivo performance. Thus, the dissolution profile of a drug can theoretically be tailored by changing the monomer ratio of a copolymer with respect...

  11. Enhanced stability and local structure in biologically relevant amorphous materials containing pyrophosphate

    Energy Technology Data Exchange (ETDEWEB)

    Slater, Colin; Laurencin, Danielle; Burnell, Victoria; Smith, Mark E.; Grover, Liam M.; Hriljac, Joseph A.; Wright, Adrian J. (CNRS-UMR); (Birmingham UK)

    2012-10-25

    There is increasing evidence that amorphous inorganic materials play a key role in biomineralisation in many organisms, however the inherent instability of synthetic analogues in the absence of the complex in vivo matrix limits their study and clinical exploitation. To address this, we report here an approach that enhances long-term stability to >1 year of biologically relevant amorphous metal phosphates, in the absence of any complex stabilizers, by utilizing pyrophosphates (P{sub 2}O{sub 7}{sup 4-}); species themselves ubiquitous in vivo. Ambient temperature precipitation reactions were employed to synthesise amorphous Ca{sub 2}P{sub 2}O{sub 7}.nH{sub 2}O and Sr{sub 2}P{sub 2}O{sub 7}.nH{sub 2}O (3.8 < n < 4.2) and their stability and structure were investigated. Pair distribution functions (PDF) derived from synchrotron X-ray data indicated a lack of structural order beyond 8 {angstrom} in both phases, with this local order found to resemble crystalline analogues. Further studies, including {sup 1}H and {sup 31}P solid state NMR, suggest the unusually high stability of these purely inorganic amorphous phases is partly due to disorder in the P-O-P bond angles within the P{sub 2}O{sub 7} units, which impede crystallization, and to water molecules, which are involved in H-bonds of various strengths within the structures and hamper the formation of an ordered network. In situ high temperature powder X-ray diffraction data indicated that the amorphous nature of both phases surprisingly persisted to 450 C. Further NMR and TGA studies found that above ambient temperature some water molecules reacted with P{sub 2}O{sub 7} anions, leading to the hydrolysis of some P-O-P linkages and the formation of HPO{sub 4}{sup 2-} anions within the amorphous matrix. The latter anions then recombined into P{sub 2}O{sub 7} ions at higher temperatures prior to crystallization. Together, these findings provide important new materials with unexplored potential for enzyme

  12. Modeling the Coupled Chemo-Thermo-Mechanical Behavior of Amorphous Polymer Networks.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Nguyen, Thao D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, Rui [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2015-02-01

    Amorphous polymers exhibit a rich landscape of time-dependent behavior including viscoelasticity, structural relaxation, and viscoplasticity. These time-dependent mechanisms can be exploited to achieve shape-memory behavior, which allows the material to store a programmed deformed shape indefinitely and to recover entirely the undeformed shape in response to specific environmental stimulus. The shape-memory performance of amorphous polymers depends on the coordination of multiple physical mechanisms, and considerable opportunities exist to tailor the polymer structure and shape-memory programming procedure to achieve the desired performance. The goal of this project was to use a combination of theoretical, numerical and experimental methods to investigate the effect of shape memory programming, thermo-mechanical properties, and physical and environmental aging on the shape memory performance. Physical and environmental aging occurs during storage and through exposure to solvents, such as water, and can significantly alter the viscoelastic behavior and shape memory behavior of amorphous polymers. This project – executed primarily by Professor Thao Nguyen and Graduate Student Rui Xiao at Johns Hopkins University in support of a DOE/NNSA Presidential Early Career Award in Science and Engineering (PECASE) – developed a theoretical framework for chemothermo- mechanical behavior of amorphous polymers to model the effects of physical aging and solvent-induced environmental factors on their thermoviscoelastic behavior.

  13. Evaluation of the Crystallization Tendency of Commercially Available Amorphous Tacrolimus Formulations Exposed to Different Stress Conditions.

    Science.gov (United States)

    Trasi, Niraj S; Purohit, Hitesh S; Taylor, Lynne S

    2017-07-07

    Tacrolimus, an immunosuppressant, is a poorly water soluble compound whereby the commercially available capsule formulations contain the drug in amorphous form. The goal of this study was to evaluate the robustness of the innovator product and five generic formulations to crystallization following storage at stress conditions. Products were purchased from a pharmacy and stored at 40°C/75% relative humidity (RH), open dish conditions. Crystallinity was determined using X-ray diffraction. The quantity of the ingredients in the formulations were determined using different approaches and the various factors that might cause instability in the formulations were studied. After 4 weeks of open dish storage at 40°C/75% RH, one of the generic formulations showed evidence of tacrolimus crystallization. Further investigations revealed batch-to-batch variations in crystallization tendency with the extent of crystallinity varying between 50 and 100% for different batches. Crystallization was also observed at lower storage temperatures (30°C) when the RH was maintained at 75%. It was found that crystallization could be induced in a model formulation by wet granulating an ethanolic solution of the drug with lactose and drying at 60-70°C followed by exposure to stress conditions. It seems probable that the generic that was susceptible to crystallization contains amorphous drug physically mixed with polymeric excipients, rather than as an amorphous solid dispersion. This study highlights the importance of considering the manufacturing process on the stability of the resultant amorphous product.

  14. Effect of amorphous phases during the hydraulic conversion of α-TCP into calcium-deficient hydroxyapatite.

    Science.gov (United States)

    Hurle, Katrin; Neubauer, Juergen; Bohner, Marc; Doebelin, Nicola; Goetz-Neunhoeffer, Friedlinde

    2014-09-01

    Powders of α-tricalcium phosphate (α-TCP), which readily react with water to form calcium-deficient hydroxyapatite (CDHA), are frequently used in bone cements. As, for clinical applications, it is important to adjust the setting reaction of the cements to a reasonable reaction time, exact knowledge of the hydration mechanism is essential. It is known that prolonged milling results in partial amorphization of α-TCP powders and that dissolution of the amorphous phase significantly accelerates the hydration, but it is not clear yet when the amorphous phase reacts in comparison to the crystalline α-TCP. Therefore the aim of this study was to investigate the development of quantitative phase content of α-TCP samples during hydration. For this purpose, three α-TCP powders, containing 0, 16 and 71wt.% of amorphous phase (ATCP), were mixed with either deionized water or a 0.1M Na2HPO4 aqueous solution. The crystalline evolution of the paste was assessed quantitatively during the first 48h of hydration at 23°C by G-factor quantification. The present investigations demonstrate that ATCP reacted earlier than crystalline α-TCP. The results also suggest the formation of an X-ray amorphous phase during the hydraulic conversion formation of α-TCP into CDHA.

  15. Evaluation of drug supersaturation by thermodynamic and kinetic approaches for the prediction of oral absorbability in amorphous pharmaceuticals.

    Science.gov (United States)

    Ozaki, Shunsuke; Kushida, Ikuo; Yamashita, Taro; Hasebe, Takashi; Shirai, Osamu; Kano, Kenji

    2012-11-01

    Supersaturation behavior of model drugs, danazol, griseofulvin, itraconazole, vemurafenib, and ER-34122, was analyzed by both thermodynamic and kinetic approaches to better understand the absorption characteristics of amorphous pharmaceuticals. For each amorphous drug, the extent of supersaturation during in vitro dissolution was proved to be similar to that in vivo, which was estimated from relative bioavailability data. The theoretical limit of supersaturation was thermodynamically calculated from several thermal properties and water sorption isotherms of amorphous solids. in vitro and in vivo supersaturation of amorphous vemurafenib was thermodynamically controlled and was in good agreement with the theoretical limit. On the contrary, the supersaturation ratio of the other four drugs was highly overestimated by the thermodynamic calculation. However, it was satisfactorily explained by considering supersaturation stability, which indicated how long supersaturation can be maintained without crystal nucleation. Supersaturation stability was evaluated by measuring the induction time for crystal nucleation kinetically. Concomitant use of thermodynamic and kinetic approaches is, therefore, invaluable in evaluating supersaturation behavior of amorphous materials and assessing development potential of poorly water-soluble drugs. Copyright © 2012 Wiley Periodicals, Inc.

  16. Field Performance of Three-Phase Amorphous Metal Core Distribution Transformers at Pearl Harbor, Hawaii

    Science.gov (United States)

    1990-08-01

    37 Waste water management and sanitary engineering Airfields and pavements 38 O1 pollution removal and recovery3 Air polution ADVANCED BASE AND...utility systems at Ford Island, Barbers Point Naval Air Station, the Naval Shipyard, and the Naval Supply Center at Pearl Harbor, Hawaii. The main...Power Meter connected to a three-phase 4-wire amorphous core transformer under test at Barbers Point Naval Air Station. This testing procedure was

  17. Crystallization inhibition of an amorphous sucrose system using raffinose

    Institute of Scientific and Technical Information of China (English)

    LEINEN K.M.; LABUZA T.P.

    2006-01-01

    The shelf life of pure amorphous sucrose systems, such as cotton candy, can be very short. Previous studies have shown that amorphous sucrose systems held above the glass transition temperature will collapse and crystallize. One study,however, showed that adding a small percent of another type of sugar, such as trehalose, to sucrose can extend the shelf life of the amorphous system by slowing crystallization. This study explores the hypothesis that raffinose increases the stability of an amorphous sucrose system. Cotton candy at 5 wt% raffinose and 95 wt% sucrose was made and stored at room temperature and three different relative humidities (%RH) 11%RH, 33%RH, and 43%RH. XRD patterns, and glass transition temperatures were obtained to determine the stability as a function of %RH. The data collected showed that raffinose slows sucrose crystallization in a low moisture amorphous state above the glass transition temperature and therefore improves the stability of amorphous sucrose systems.

  18. Spatial confinement can lead to increased stability of amorphous indomethacin

    DEFF Research Database (Denmark)

    Nielsen, Line Hagner; Keller, Stephan Sylvest; Gordon, Keith C.

    2012-01-01

    The aim of this study was to investigate whether the physical stability of amorphous indomethacin can be improved by separating the drug material into small units by the use of microcontainers. Crystallisation from the spatially confined amorphous indomethacin in the microcontainers was determined...... and compared with the crystallisation kinetics of amorphous bulk indomethacin.Amorphous indomethacin in both a bulk form and contained within microcontainers was prepared by melting of bulk or container-incorporated γ-indomethacin, respectively, followed by quench-cooling. Microcontainers of three different...... sizes (diameters of 73μm, 174μm and 223μm) were used for the confinement of amorphous indomethacin, in order to elucidate whether the size of the microcontainer had an influence on the stability of the amorphous form. Following preparation, all samples were stored at 30°C and 23% RH. A sample of 100...

  19. Research Progress on Laser Cladding Amorphous Coatings on Metallic Substrates

    Directory of Open Access Journals (Sweden)

    CHEN Ming-hui

    2017-01-01

    Full Text Available The microstructure and property of amorphous alloy as well as the limitations of the traditional manufacturing methods for the bulk amorphous alloy were briefly introduced in this paper.Combined with characteristics of the laser cladding technique,the research status of the laser cladding Fe-based,Zr-based,Ni-based,Cu-based and Al-based amorphous coatings on the metal substrates were mainly summarized.The effects of factors such as laser processing parameter,micro-alloying element type and content and reinforcing phase on the laser cladding amorphous coatings were also involved.Finally,the main problems and the future research directions of the composition design and control of the laser-cladded amorphous coating,the design and optimization of the laser cladding process,and the basic theory of the laser cladding amorphous coatings were also put forward finally.

  20. Amorphous semiconductor solar cell having a grained transparent electrode

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Y.; Iida, H.; Itou, A.; Karasawa, H.; Mishuku, T.; Shiba, N.; Yamanaka, M.

    1985-02-19

    An amorphous semiconductor solar cell is disclosed which comprises a glass substrate and a transparent electrode coated on the substrate. The device also comprises an amorphous semiconductor layer on the transparent electrode, and a rear electrode on the amorphous layer, wherein the average grain diameter of the surface of the transparent electrode ranges from 0.1 ..mu..m to 2.5 ..mu..m.

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

    KAUST Repository

    Liu, Hongyi

    2012-02-09

    The goal of this work was to use molecular dynamics (MD) simulations to build amorphous surface layers of polypropylene (PP) and cellulose and to inspect their physical and interfacial properties. A new method to produce molecular models for these surfaces was developed, which involved the use of a "soft" confining layer comprised of a xenon crystal. This method compacts the polymers into a density distribution and a degree of molecular surface roughness that corresponds well to experimental values. In addition, calculated properties such as density, cohesive energy density, coefficient of thermal expansion, and the surface energy agree with experimental values and thus validate the use of soft confining layers. The method can be applied to polymers with a linear backbone such as PP as well as those whose backbones contain rings, such as cellulose. The developed PP and cellulose surfaces were characterized by their interactions with water. It was found that a water nanodroplet spreads on the amorphous cellulose surfaces, but there was no significant change in the dimension of the droplet on the PP surface; the resulting MD water contact angles on PP and amorphous cellulose surfaces were determined to be 106 and 33°, respectively. © 2012 American Chemical Society.

  2. Water

    Science.gov (United States)

    Leopold, Luna Bergere; Baldwin, Helene L.

    1962-01-01

    What do you use water for?If someone asked you this question you would probably think right away of water for drinking. Then you would think of water for bathing, brushing teeth, flushing the toilet. Your list would get longer as you thought of water for cooking, washing the dishes, running the garbage grinder. Water for lawn watering, for play pools, for swimming pools, for washing the car and the dog. Water for washing machines and for air conditioning. You can hardly do without water for fun and pleasure—water for swimming, boating, fishing, water-skiing, and skin diving. In school or the public library, you need water to wash your hands, or to have a drink. If your home or school bursts into flames, quantities of water are needed to put it out.In fact, life to Americans is unthinkable without large supplies of fresh, clean water. If you give the matter a little thought, you will realize that people in many countries, even in our own, may suffer from disease and dirt simply because their homes are not equipped with running water. Imagine your own town if for some reason - an explosion, perhaps - water service were cut off for a week or several weeks. You would have to drive or walk to a neighboring town and bring water back in pails. Certainly if people had to carry water themselves they might not be inclined to bathe very often; washing clothes would be a real chore.Nothing can live without water. The earth is covered by water over three-fourths of its surface - water as a liquid in rivers, lakes and oceans, and water as ice and snow on the tops of high mountains and in the polar regions. Only one-quarter of our bodies is bone and muscle; the other three-fourths is made of water. We need water to live, and so do plants and animals. People and animals can live a long time without food, but without water they die in a few days. Without water, everything would die, and the world would turn into a huge desert.

  3. 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.

  4. New amorphous interface for precipitate nitrides in steel

    DEFF Research Database (Denmark)

    Danielsen, Hilmar Kjartansson; Kadkhodazadeh, Shima; Grumsen, Flemming Bjerg

    2014-01-01

    to be enveloped in an amorphous shell a few nm thick, thus leaving them without any coherency with the matrix. The amorphous nature of the shells could be ascertained with high resolution microscopy and dark field techniques. When extracted from the ferrite matrix the amorphous shells were observed to crystallize...... during electron beam exposure. The amorphous shells were observed around Ta- and Nb-based nitrides, which are considered to have a high interfacial energy with the ferrite matrix. They were not observed around V-based nitrides which have a Baker–Nutting relationship with low-misfit to the matrix....

  5. Delivery of poorly soluble compounds by amorphous solid dispersions.

    Science.gov (United States)

    Lee, Thomas W Y; Boersen, Nathan A; Hui, H W; Chow, S F; Wan, K Y; Chow, Albert H L

    2014-01-01

    Solid state manipulation by amorphous solid dispersion has been the subject of intensive research for decades due to their excellent potential for dissolution and bioavailability enhancement. The present review aims to highlight the latest advancement in this area, with focus on the fundamentals, characterization, formulation development and manufacturing of amorphous solid dispersions as well as the new generation amorphization technologies. Additionally, specific applications of amorphous solid dispersion in the formulation of herbal drugs or bioactive natural products are reviewed to reflect the growing interest in this relatively neglected area.

  6. Femtosecond laser crystallization of amorphous Ge

    Science.gov (United States)

    Salihoglu, Omer; Kürüm, Ulaş; Yaglioglu, H. Gul; Elmali, Ayhan; Aydinli, Atilla

    2011-06-01

    Ultrafast crystallization of amorphous germanium (a-Ge) in ambient has been studied. Plasma enhanced chemical vapor deposition grown a-Ge was irradiated with single femtosecond laser pulses of various durations with a range of fluences from below melting to above ablation threshold. Extensive use of Raman scattering has been employed to determine post solidification features aided by scanning electron microscopy and atomic force microscopy measurements. Linewidth of the Ge optic phonon at 300 cm-1 as a function of laser fluence provides a signature for the crystallization of a-Ge. Various crystallization regimes including nanostructures in the form of nanospheres have been identified.

  7. Three-Terminal Amorphous Silicon Solar Cells

    OpenAIRE

    Cheng-Hung Tai; Chu-Hsuan Lin; Chih-Ming Wang; Chun-Chieh Lin

    2011-01-01

    Many defects exist within amorphous silicon since it is not crystalline. This provides recombination centers, thus reducing the efficiency of a typical a-Si solar cell. A new structure is presented in this paper: a three-terminal a-Si solar cell. The new back-to-back p-i-n/n-i-p structure increased the average electric field in a solar cell. A typical a-Si p-i-n solar cell was also simulated for comparison using the same thickness and material parameters. The 0.28 μm-thick three-terminal a-Si...

  8. Tuning Metamaterials by using Amorphous Magnetic Microwires.

    Science.gov (United States)

    Lopez-Dominguez, V; Garcia, M A; Marin, P; Hernando, A

    2017-08-24

    In this work, we demonstrate theoretically and experimentally the possibility of tuning the electromagnetic properties of metamaterials with magnetic fields by incorporating amorphous magnetic microwires. The large permeability of these wires at microwave frequencies allows tuning the resonance of the metamaterial by using magnetic fields of the order of tens of Oe. We describe here the physical basis of the interaction between a prototypical magnetic metamaterial with magnetic microwires and electromagnetic waves plus providing detailed calculations and experimental results for the case of an array of Split Ring Resonators with Co-based microwires.

  9. Encoding of Memory in Sheared Amorphous Solids

    Science.gov (United States)

    Fiocco, Davide; Foffi, Giuseppe; Sastry, Srikanth

    2014-01-01

    We show that memory can be encoded in a model amorphous solid subjected to athermal oscillatory shear deformations, and in an analogous spin model with disordered interactions, sharing the feature of a deformable energy landscape. When these systems are subjected to oscillatory shear deformation, they retain memory of the deformation amplitude imposed in the training phase, when the amplitude is below a "localization" threshold. Remarkably, multiple persistent memories can be stored using such an athermal, noise-free, protocol. The possibility of such memory is shown to be linked to the presence of plastic deformations and associated limit cycles traversed by the system, which exhibit avalanche statistics also seen in related contexts.

  10. Surface magnetic anisotropy in amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tejedor, M.; Rubio, H.; Elbaile, L.; Iglesias, R. (Univ. de Oviedo (Spain). Dept. de Fisica)

    1993-11-01

    The total in-plane magnetic anisotropy and the in-plane surface magnetic anisotropy constants have been measured in nearly-zero magnetostrictive amorphous ribbons in as-quenched state. The magnetostatic energy of a two-dimensional square-lattice of parallelepipeds or ellipsoids, whose dimensions are determined by the parameters characterizing the roughness, is evaluated. From the results obtained, they can conclude that the in-plane surface anisotropy can be magnetostatic in origin but it has little influence on the total in-plane magnetic anisotropy of the ribbon.

  11. Studies of photodegradation in hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Clare, B.W. [Murdoch Univ., WA (Australia). Sch. of Phys. Sci., Eng. and Technol.; Cornish, J.C.L. [Murdoch Univ., WA (Australia). Sch. of Phys. Sci., Eng. and Technol.; Hefter, G.T. [Murdoch Univ., WA (Australia). Sch. of Phys. Sci., Eng. and Technol.; Jennings, P.J. [Murdoch Univ., WA (Australia). Sch. of Phys. Sci., Eng. and Technol.; Lund, C.P. [Murdoch Univ., WA (Australia). Sch. of Phys. Sci., Eng. and Technol.; Santjojo, D.J. [Murdoch Univ., WA (Australia). Sch. of Phys. Sci., Eng. and Technol.; Talukder, M.O.G. [Dept. of Applied Physics and Electronics, Rajshahi Univ. (Bangladesh)

    1996-11-15

    IR absorption spectroscopy was used to study light-induced structural changes in hydrogenated amorphous silicon (a-Si:H) films. Our results suggest that illumination causes migration of H atoms from the interior of the film towards the illuminated surface. As a consequence, a transformation occurs in the bulk of the material leading to the formation of dangling bonds in the i-layer which could act as traps for minority carriers in solar cells. Using these results, we have formulated a model for the photodegradation of a-Si:H alloys. (orig.)

  12. On the crystallization of amorphous germanium films

    Science.gov (United States)

    Edelman, F.; Komem, Y.; Bendayan, M.; Beserman, R.

    1993-06-01

    The incubation time for crystallization of amorphous Ge (a-Ge) films, deposited by e-gun, was studied as a function of temperature between 150 and 500°C by means of both in situ transmission electron microscopy and Raman scattering spectroscopy. The temperature dependence of t0 follows an Arrhenius curve with an activation energy of 2.0 eV for free-sustained a-Ge films. In the case where the a-Ge films were on Si 3N 4 substrate, the activation energy of the incubation process was 1.3 eV.

  13. 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.

  14. Molecular Dynamic Simulations of Glass Transition Temperature and Mechanical Properties in the Amorphous Region of Oil-Immersed Transformer Insulation Paper

    Science.gov (United States)

    Wang, You-Yuan; Yang, Tao; Liao, Rui-Jin

    2012-07-01

    The glass transition temperature (Tg) in the amorphous region of an insulation paper is one of the most important characteristics for thermal stability. Molecular dynamic simulations have been performed on three micro-structural models, namely, amorphous pure cellulose, amorphous cellulose with water and amorphous cellulose with oil, to study the microscopic mechanism of the glass transition process for oil-immersed transformer insulation paper. Using the method of specific volume versus temperature curve, the Tg of amorphous pure cellulose, cellulose with water, and cellulose with oil was determined as 448, 418 and 440 K, respectively. The current study may provide some information for thermal aging. The simulation results show that during the glass transition process, both the chain motion and mechanical properties of cellulose changes significantly. Relative to the oil molecules, water molecules immersed in the amorphous region of insulation paper can disrupt hydrogen bonds between cellulose chains. This phenomenon results in a significant reduction in the glass transition temperature and affects the thermal stability of the insulation paper.

  15. Water

    Science.gov (United States)

    ... Lead Poisoning Prevention Training Center (HHLPPTC) Training Tracks Water Language: English Español (Spanish) Recommend on Facebook Tweet Share Compartir For information about lead in water in Flint, MI, please visit http://www.phe. ...

  16. Emergent interparticle interactions in thermal amorphous solids

    Science.gov (United States)

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

    2016-11-01

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

  17. Deposition of amorphous carbon-silver composites

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Zarco, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Exterior s/n, Ciudad Universitaria. 04510, Mexico D. F. Mexico (Mexico); Rodil, S.E., E-mail: ser42@iim.unam.m [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Circuito Exterior s/n, Ciudad Universitaria. 04510, Mexico D. F. Mexico (Mexico); Camacho-Lopez, M.A. [Facultad de Quimica, Universidad Autonoma del Estado de Mexico, Tollocan s/n, esq. Paseo Colon, Toluca, Estado de Mexico, 50110 (Mexico)

    2009-12-31

    Composites of amorphous carbon films and silver were deposited by co-sputtering, where the target (10 cm diameter) was of pure graphite with small inclusion of pure silver (less than 1 cm{sup 2}). The films were deposited under different powers, from 40 to 250 W, and different target-substrate distances. The substrate was earthed and rotated in order to obtain a uniform distribution of the silver content. The addition of the Ag piece into the target increased the deposition rate of the carbon films, which could be related to the higher sputter yield of the silver, but there seems to be also a contribution from a larger emission of secondary electrons from the Ag that enhances the plasma and therefore the sputtering process becomes more efficient. Scanning electron micrographs acquired using backscattered electrons showed that the silver was segregated from the carbon matrix, forming nanoparticles or larger clusters as the power was increased. The X-ray diffraction pattern showed that the silver was crystalline and the carbon matrix remained amorphous, although for certain conditions a peak attributed to fullerene-like structures was obtained. Finally, we used Raman spectroscopy to understand the bonding characteristics of the carbon-silver composites, finding that there are variations in the D/G ratio, which can be correlated to the observed structure and X-ray diffraction results.

  18. Anisotropic mechanical amorphization drives wear in diamond.

    Science.gov (United States)

    Pastewka, Lars; Moser, Stefan; Gumbsch, Peter; Moseler, Michael

    2011-01-01

    Diamond is the hardest material on Earth. Nevertheless, polishing diamond is possible with a process that has remained unaltered for centuries and is still used for jewellery and coatings: the diamond is pressed against a rotating disc with embedded diamond grit. When polishing polycrystalline diamond, surface topographies become non-uniform because wear rates depend on crystal orientations. This anisotropy is not fully understood and impedes diamond's widespread use in applications that require planar polycrystalline films, ranging from cutting tools to confinement fusion. Here, we use molecular dynamics to show that polished diamond undergoes an sp(3)-sp(2) order-disorder transition resulting in an amorphous adlayer with a growth rate that strongly depends on surface orientation and sliding direction, in excellent correlation with experimental wear rates. This anisotropy originates in mechanically steered dissociation of individual crystal bonds. Similarly to other planarization processes, the diamond surface is chemically activated by mechanical means. Final removal of the amorphous interlayer proceeds either mechanically or through etching by ambient oxygen.

  19. Cyclic behaviors of amorphous shape memory polymers.

    Science.gov (United States)

    Yu, Kai; Li, Hao; McClung, Amber J W; Tandon, Gyaneshwar P; Baur, Jeffery W; Qi, H Jerry

    2016-04-01

    Cyclic loading conditions are commonly encountered in the applications of shape memory polymers (SMPs), where the cyclic characteristics of the materials determine their performance during the service life, such as deformation resistance, shape recovery speed and shape recovery ratio. Recent studies indicate that in addition to the physical damage or some other irreversible softening effects, the viscoelastic nature could also be another possible reason for the degraded cyclic behavior of SMPs. In this paper, we explore in detail the influence of the viscoelastic properties on the cyclic tension and shape memory (SM) behavior of an epoxy based amorphous thermosetting polymer. Cyclic experiments were conducted first, which show that although the epoxy material does not have any visible damage or irreversible softening effect during deformation, it still exhibits obvious degradation in the cyclic tension and SM behaviors. A linear multi-branched model is utilized to assist in the prediction and understanding of the mechanical responses of amorphous SMPs. Parametric studies based on the applied model suggest that the shape memory performance can be improved by adjusting programming and recovery conditions, such as lowering the loading rate, increasing the programming temperature, and reducing the holding time.

  20. Structural morphology of amorphous conducting carbon film

    Indian Academy of Sciences (India)

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

    2005-10-01

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

  1. Reducing the magnetic losses of amorphous ribbon

    Energy Technology Data Exchange (ETDEWEB)

    Raybould, D.; Das, S.K. [AlliedSignal Inc., Morristown, NJ (United States). Aerospace Technol. Team; Meola, M.; Bye, R. [AlliedSignal Inc., Amorphous Metals, Morristown, NJ 07962-1021 (United States)

    1998-01-30

    Amorphous alloys have lower magnetization losses than silicon steel and are therefore used as the cores of high-efficiency electrical transformers. Laser scribing the amorphous alloys using a very low power, so as not to melt the surface, results in an appreciable decrease in core loss with no decrease in measurable induction. A 2-5 mm line spacing appears optimum. Scribing prior to or after magnetic annealing results in similar properties, although the former requires a slightly higher laser power. Excimer and YAG lasers using optimized parameters both result in identical magnetic properties, but the optimum morphology of the scribed line is different for the two types of laser. For 25 {mu}m thick ribbon, a 29% decrease in core loss is obtained with no increase in exciting power. For thick, 50 {mu}m ribbon, properties superior to those of conventional 25 {mu}m ribbon are achievable, the core loss being decreased nearly 50% with no increase in exciting power. Thick ribbon with these properties could decrease the fabrication cost, while increasing the efficiency of power transformers. (orig.) 15 refs.

  2. Magnetic Properties of Amorphous Fe-Si-B Powder Cores Mixed with Pure Iron Powder

    Science.gov (United States)

    Kim, Hyeon-Jun; Nam, Seul Ki; Kim, Kyu-Sung; Yoon, Sung Chun; Sohn, Keun-Yong; Kim, Mi-Rae; Sul Song, Yong; Park, Won-Wook

    2012-10-01

    Amorphous Fe-Si-B alloy was prepared by melt-spinning, and then the ribbons were pulverized and ball-milled to make the amorphous powder of ˜25 µm in size. Subsequently those were mixed with pure iron powders with an average particle size of 3 µm, and 1.5 wt % water glass diluted by distilled water at the ratio of 1:2. The powder mixtures were cold compacted at 650 MPa in toroid die, and heat treated at 430-440 °C under a nitrogen atmosphere for 1 h and 30 min, respectively. The soft magnetic properties of powder core were investigated using a B-H analyzer and a flux meter at the frequency range of ˜100 kHz. The microstructure was observed using scanning electron microscope (SEM), and the density of the core was measured using the principle of Archimedes. Based on the experimental results, the amorphous powder mixed with pure iron powder showed the improved powder compactability, which resulted in the increased permeability and the reduced core loss.

  3. Crystallization of bulk samples of partially amorphous spray-dried lactose.

    Science.gov (United States)

    Darcy, P; Buckton, G

    1998-11-01

    The crystallization of partially amorphous spray-dried lactose was studied as a function of sample size. Crystallization occurred gradually over a period of 80 hr for a 95-g sample. The water content during crystallization was lower than that needed to cause crystallization if it had been distributed evenly throughout the bed, thus the absorbed water must have been unevenly distributed. The weight of the sample continued to change for days after crystallization was completed, because of the slow desorption of condensed water and the very slow formation of the hydrate form. Surprisingly, all samples with a weight between 42 and 95 g were found to take up the same mass (not percent) of water at the same time. This provides further evidence that the water was not evenly distributed throughout the sample. Water loss after this peak differed in the different weight samples, with the largest weights resulting in the lowest residual weight after 2 weeks. Only the sample of 22 g load had a different peak weight and a much lower weight loss after crystallization. This study provides detail of how partially amorphous bulk samples crystallize.

  4. Quantifying Nanoscale Order in Amorphous Materials via Fluctuation Electron Microscopy

    Science.gov (United States)

    Bogle, Stephanie Nicole

    2009-01-01

    Fluctuation electron microscopy (FEM) has been used to study the nanoscale order in various amorphous materials. The method is explicitly sensitive to 3- and 4-body atomic correlation functions in amorphous materials; this is sufficient to establish the existence of structural order on the nanoscale, even when the radial distribution function…

  5. RAPID ASSOCIATION OF UNCONJUGATED BILIRUBIN WITH AMORPHOUS CALCIUM-PHOSPHATE

    NARCIS (Netherlands)

    VANDERVEERE, CN; SHOEMAKER, B; VANDERMEER, R; GROEN, AK; JANSEN, PLM; ELFERINK, RPJO

    1995-01-01

    The association of unconjugated bilirubin (UCB) with amorphous calcium phosphate was studied in vitro. To this end UCB, solubilized in different micellar bile salt solutions, was incubated with freshly prepared calcium phosphate precipitate. It was demonstrated that amorphous calcium phosphate (ACP)

  6. Prenatal toxicity of synthetic amorphous silica nanomaterial in rats

    NARCIS (Netherlands)

    Hofmanna, T.; Schneider, S.; Wolterbeek, A.; Sandt, H. van de; Landsiedel, R.; Ravenzwaay, B. van

    2015-01-01

    Synthetic amorphous silica is a nanostructured material, which is produced and used in a wide variety of technological applications and consumer products. No regulatory prenatal toxicity studies with this substance were reported yet. Therefore, synthetic amorphous silica was tested for prenatal

  7. Creep of FINEMET alloy at amorphous to nanocrystalline transition

    NARCIS (Netherlands)

    Csach, K.; Miškuf, J.; Juríková, A.; Ocelík, V.

    2009-01-01

    The application of FINEMET-type materials with specific magnetic properties prepared by the crystallization of amorphous alloys is often limited by their brittleness. The structure of these materials consists of nanosized Fe-based grains surrounded with amorphous phase. Then the final macroscopic

  8. Rate equations for sodium catalyzed amorphous silica dissolution

    Science.gov (United States)

    Rimstidt, J. Donald; Zhang, Yilun; Zhu, Chen

    2016-12-01

    Newly measured amorphous silica dissolution rate data were combined with data from the literature to produce an equation that predicts the dissolution flux (J, mol/m2 s) of amorphous silica as a function of temperature (T, K), sodium concentration (mNa+, molal), and hydrogen ion activity (aH+).

  9. Creep of FINEMET alloy at amorphous to nanocrystalline transition

    NARCIS (Netherlands)

    Csach, K.; Miškuf, J.; Juríková, A.; Ocelík, V.

    2009-01-01

    The application of FINEMET-type materials with specific magnetic properties prepared by the crystallization of amorphous alloys is often limited by their brittleness. The structure of these materials consists of nanosized Fe-based grains surrounded with amorphous phase. Then the final macroscopic me

  10. Magnetic flux distribution in the amorphous modular transformers

    Science.gov (United States)

    Tomczuk, B.; Koteras, D.

    2011-06-01

    3D magnetic fluxes in one-phase and three-phase transformers with amorphous modular cores have been studied. Scalar potentials were implemented for the 3D Finite Element field calculation. Due to the inability to simulate each thin amorphous layer, we introduced supplementary permeabilities along the main directions of magnetization. The calculated fluxes in the cores were tested on the prototypes.

  11. Prenatal toxicity of synthetic amorphous silica nanomaterial in rats

    NARCIS (Netherlands)

    Hofmanna, T.; Schneider, S.; Wolterbeek, A.; Sandt, H. van de; Landsiedel, R.; Ravenzwaay, B. van

    2015-01-01

    Synthetic amorphous silica is a nanostructured material, which is produced and used in a wide variety of technological applications and consumer products. No regulatory prenatal toxicity studies with this substance were reported yet. Therefore, synthetic amorphous silica was tested for prenatal toxi

  12. Quantifying Nanoscale Order in Amorphous Materials via Fluctuation Electron Microscopy

    Science.gov (United States)

    Bogle, Stephanie Nicole

    2009-01-01

    Fluctuation electron microscopy (FEM) has been used to study the nanoscale order in various amorphous materials. The method is explicitly sensitive to 3- and 4-body atomic correlation functions in amorphous materials; this is sufficient to establish the existence of structural order on the nanoscale, even when the radial distribution function…

  13. Phase transformations of amorphous semiconductor alloys under high pressures

    CERN Document Server

    Antonov, V E; Fedotov, V K; Harkunov, A I; Ponyatovsky, E G

    2002-01-01

    The paper reviews the results of experimental studies and thermodynamical modelling of metastable T-P diagrams of initially amorphous GaSb-Ge and Zn-Sb alloys which provide a new insight into the problem of pressure-induced amorphization.

  14. Polarization effects in femtosecond laser induced amorphization of monocrystalline silicon

    Science.gov (United States)

    Bai, Feng; Li, Hong-Jin; Huang, Yuan-Yuan; Fan, Wen-Zhong; Pan, Huai-Hai; Wang, Zhuo; Wang, Cheng-Wei; Qian, Jing; Li, Yang-Bo; Zhao, Quan-Zhong

    2016-10-01

    We have used femtosecond laser pulses to ablate monocrystalline silicon wafer. Raman spectroscopy and X-ray diffraction analysis of ablation surface indicates horizontally polarized laser beam shows an enhancement in amorphization efficiency by a factor of 1.6-1.7 over the circularly polarized laser ablation. This demonstrates that one can tune the amorphization efficiency through the polarization of irradiation laser.

  15. SIMILAR POINT-DEFECTS IN CRYSTALLINE AND AMORPHOUS-SILICON

    NARCIS (Netherlands)

    LIANG, ZN; NIESEN, L; VANDENHOVEN, GN; CUSTER, JS

    1994-01-01

    The microscopic nature of defects in ion-implanted crystalline silicon (c-Si) and amorphous silicon (a-Si) has been studied using Mossbauer spectroscopy. The evolution of the local structure around the probe atoms is followed during thermal annealing of ion-beam-created amorphous and ion-beam-damage

  16. Mapping residual organics and carbonate at grain boundaries and the amorphous interphase in mouse incisor enamel.

    Science.gov (United States)

    Gordon, Lyle M; Joester, Derk

    2015-01-01

    Dental enamel has evolved to resist the most grueling conditions of mechanical stress, fatigue, and wear. Adding insult to injury, it is exposed to the frequently corrosive environment of the oral cavity. While its hierarchical structure is unrivaled in its mechanical resilience, heterogeneity in the distribution of magnesium ions and the presence of Mg-substituted amorphous calcium phosphate (Mg-ACP) as an intergranular phase have recently been shown to increase the susceptibility of mouse enamel to acid attack. Herein we investigate the distribution of two important constituents of enamel, residual organic matter and inorganic carbonate. We find that organics, carbonate, and possibly water show distinct distribution patterns in the mouse enamel crystallites, at simple grain boundaries, and in the amorphous interphase at multiple grain boundaries. This has implications for the resistance to acid corrosion, mechanical properties, and the mechanism by which enamel crystals grow during amelogenesis.

  17. Improved supersaturation and oral absorption of dutasteride by amorphous solid dispersions.

    Science.gov (United States)

    Beak, In-Hwan; Kim, Min-Soo

    2012-01-01

    In this study, amorphous solid dispersions containing dutasteride and various excipients, manufactured by spray-drying processes, were characterized to determine the effects on their ability to form supersaturated solutions and to identify the effects of supersaturation on increasing the bioavailability of dutasteride. The excipients included Eudragit E, hydroxypropyl-β-cyclodextrin (HP-β-CD), hydroxypropyl cellulose (HPC), hydroxypropylmethyl cellulose (HPMC), and polyvinylpyrrolidone (PVP K30). A solid dispersion with Eudragit E displayed a high maximum supersaturation with extended supersaturation, compared with a water-soluble polymer. The maximum concentration and the degree of supersaturation increased in the following order: PVP K30supersaturation concentration. These results suggest that amorphous solid dispersions containing Eudragit E, formed by a spray-drying process, offer enhanced supersaturation characteristics, leading to increased oral absorption of dutasteride.

  18. Atomic structure of amorphous shear bands in boron carbide.

    Science.gov (United States)

    Reddy, K Madhav; Liu, P; Hirata, A; Fujita, T; Chen, M W

    2013-01-01

    Amorphous shear bands are the main deformation and failure mode of super-hard boron carbide subjected to shock loading and high pressures at room temperature. Nevertheless, the formation mechanisms of the amorphous shear bands remain a long-standing scientific curiosity mainly because of the lack of experimental structure information of the disordered shear bands, comprising light elements of carbon and boron only. Here we report the atomic structure of the amorphous shear bands in boron carbide characterized by state-of-the-art aberration-corrected transmission electron microscopy. Distorted icosahedra, displaced from the crystalline matrix, were observed in nano-sized amorphous bands that produce dislocation-like local shear strains. These experimental results provide direct experimental evidence that the formation of amorphous shear bands in boron carbide results from the disassembly of the icosahedra, driven by shear stresses.

  19. Parametrized dielectric functions of amorphous GeSn alloys

    Science.gov (United States)

    D'Costa, Vijay Richard; Wang, Wei; Schmidt, Daniel; Yeo, Yee-Chia

    2015-09-01

    We obtained the complex dielectric function of amorphous Ge1-xSnx (0 ≤ x ≤ 0.07) alloys using spectroscopic ellipsometry from 0.4 to 4.5 eV. Amorphous GeSn films were formed by room-temperature implantation of phosphorus into crystalline GeSn alloys grown by molecular beam epitaxy. The optical response of amorphous GeSn alloys is similar to amorphous Ge and can be parametrized using a Kramers-Kronig consistent Cody-Lorentz dispersion model. The parametric model was extended to account for the dielectric functions of amorphous Ge0.75Sn0.25 and Ge0.50Sn0.50 alloys from literature. The compositional dependence of band gap energy Eg and parameters associated with the Lorentzian oscillator have been determined. The behavior of these parameters with varying x can be understood in terms of the alloying effect of Sn on Ge.

  20. Atomistic simulation of damage accumulation and amorphization in Ge

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-Selles, Jose L., E-mail: joseluis.gomezselles@imdea.org; Martin-Bragado, Ignacio [IMDEA Materials Institute, Eric Kandel 2, 28906 Getafe, Madrid (Spain); Claverie, Alain [CEMES/CNRS, 29 rue J. Marvig, 31055 Toulouse Cedex (France); Sklenard, Benoit [CEA, LETI, 17 rue des Martyrs, 38054 Grenoble Cedex 9 (France); Benistant, Francis [GLOBALFOUNDRIES Singapore Pte Ltd., 60 Woodlands Industrial Park D Street 2, Singapore 738406 (Singapore)

    2015-02-07

    Damage accumulation and amorphization mechanisms by means of ion implantation in Ge are studied using Kinetic Monte Carlo and Binary Collision Approximation techniques. Such mechanisms are investigated through different stages of damage accumulation taking place in the implantation process: from point defect generation and cluster formation up to full amorphization of Ge layers. We propose a damage concentration amorphization threshold for Ge of ∼1.3 × 10{sup 22} cm{sup −3} which is independent on the implantation conditions. Recombination energy barriers depending on amorphous pocket sizes are provided. This leads to an explanation of the reported distinct behavior of the damage generated by different ions. We have also observed that the dissolution of clusters plays an important role for relatively high temperatures and fluences. The model is able to explain and predict different damage generation regimes, amount of generated damage, and extension of amorphous layers in Ge for different ions and implantation conditions.

  1. Composition Range of Amorphous Mg-Ni-Y Alloys

    Institute of Scientific and Technical Information of China (English)

    陈红梅; 钟夏平; 欧阳义芳

    2003-01-01

    Based on the thermodynamic point of view, a method for predication of the composition range of amorphous ternary alloys was proposed. The composition range of amorphous ternary alloys is determined by the comparison of the excess free energy of the amorphous alloy and the free energy of competing crystalline states. The free energy is extrapolated from the data of three binary alloys by using Toop′s model. The method was applied to predict the composition range of amorphous Mg-Ni-Y alloys. The theoretical results are in good agreement with the available experimental results. It indicates that the present method can be used to predict the composition range for amorphous ternary alloys.

  2. Charge transport in amorphous organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Lukyanov, Alexander

    2011-03-15

    Organic semiconductors with the unique combination of electronic and mechanical properties may offer cost-effective ways of realizing many electronic applications, e. g. large-area flexible displays, printed integrated circuits and plastic solar cells. In order to facilitate the rational compound design of organic semiconductors, it is essential to understand relevant physical properties e. g. charge transport. This, however, is not straightforward, since physical models operating on different time and length scales need to be combined. First, the material morphology has to be known at an atomistic scale. For this atomistic molecular dynamics simulations can be employed, provided that an atomistic force field is available. Otherwise it has to be developed based on the existing force fields and first principle calculations. However, atomistic simulations are typically limited to the nanometer length- and nanosecond time-scales. To overcome these limitations, systematic coarse-graining techniques can be used. In the first part of this thesis, it is demonstrated how a force field can be parameterized for a typical organic molecule. Then different coarse-graining approaches are introduced together with the analysis of their advantages and problems. When atomistic morphology is available, charge transport can be studied by combining the high-temperature Marcus theory with kinetic Monte Carlo simulations. The approach is applied to the hole transport in amorphous films of tris(8- hydroxyquinoline)aluminium (Alq{sub 3}). First the influence of the force field parameters and the corresponding morphological changes on charge transport is studied. It is shown that the energetic disorder plays an important role for amorphous Alq{sub 3}, defining charge carrier dynamics. Its spatial correlations govern the Poole-Frenkel behavior of the charge carrier mobility. It is found that hole transport is dispersive for system sizes accessible to simulations, meaning that calculated

  3. Amorphous titania/carbon composite electrode materials

    Energy Technology Data Exchange (ETDEWEB)

    Vaughey, John T.; Jansen, Andrew; Joyce, Christopher D.

    2017-05-09

    An isolated salt comprising a compound of formula (H.sub.2X)(TiO(Y).sub.2) or a hydrate thereof, wherein X is 1,4-diazabicyclo[2.2.2]octane (DABCO), and Y is oxalate anion (C.sub.2O.sub.4.sup.-2), when heated in an oxygen-containing atmosphere at a temperature in the range of at least about 275.degree. C. to less than about 400.degree. C., decomposes to form an amorphous titania/carbon composite material comprising about 40 to about 50 percent by weight titania and about 50 to about 60 percent by weight of a carbonaceous material coating the titania. Heating the composite material at a temperature of about 400 to 500.degree. C. crystallizes the titania component to anatase. The titania materials of the invention are useful as components of the cathode or anode of a lithium or lithium ion electrochemical cell.

  4. Preparation of High Purity Amorphous Boron Powder

    Directory of Open Access Journals (Sweden)

    K.V. Tilekar

    2005-10-01

    Full Text Available Amorphous boron powder of high purity (92-94 % with a particle size of l-2 mm is preferred as a fuel for fuel-rich propellants for integrated rocket ramjets and for igniter formulations. Thispaper describes the studies on process optimisation of two processes, ie, oxidative roasting of boron (roasting boron in air and roasting boron with zinc in an inert medium for preparing high purity boron. Experimental studies reveal that roasting boron with zinc at optimised process conditions yields boron of purity more than 93 per cent, whereas oxidative roasting method yields boron of purity - 92 per cent. Oxidative roasting has comparative edge over the other processes owing to its ease of scale-up and simplicity

  5. A tissue-inspired amorphous photonic metamaterial

    CERN Document Server

    Bi, Dapeng

    2016-01-01

    Inspired by how cells pack in dense biological tissues, we design an amorphous material which possesses a complete photonic band gap. A physical parameter inspired by how cells adhere with one another and regulate their shapes can continuously tune the photonic band gap size as well as the bulk mechanical property of the material. The material can be further tuned to undergo a solid-fluid phase transition during which the shear modulus vanishes yet the photonic band gap persists, hence giving rise to a photonic fluid that is robust to flow and rearrangements. Experimentally this design should lead to the engineering of self-assembled non-rigid photonic structures with photonic band gaps that can be controlled in real time.

  6. Amorphous silicon crystalline silicon heterojunction solar cells

    CERN Document Server

    Fahrner, Wolfgang Rainer

    2013-01-01

    Amorphous Silicon/Crystalline Silicon Solar Cells deals with some typical properties of heterojunction solar cells, such as their history, the properties and the challenges of the cells, some important measurement tools, some simulation programs and a brief survey of the state of the art, aiming to provide an initial framework in this field and serve as a ready reference for all those interested in the subject. This book helps to "fill in the blanks" on heterojunction solar cells. Readers will receive a comprehensive overview of the principles, structures, processing techniques and the current developmental states of the devices. Prof. Dr. Wolfgang R. Fahrner is a professor at the University of Hagen, Germany and Nanchang University, China.

  7. Thermal resistance between amorphous silica nanoparticles

    Science.gov (United States)

    Meng, Fanhe; Elsahati, Muftah; Liu, Jin; Richards, Robert F.

    2017-05-01

    Nanoparticle-based materials have been used as thermal insulation in a variety of macroscale and microscale applications. In this work, we investigate the heat transfer between nanoparticles using non-equilibrium molecular dynamics simulations. We calculate the total thermal resistance and thermal boundary resistance between adjacent amorphous silica nanoparticles. Numerical results are compared to interparticle resistances determined from experimental measurements of heat transfer across packed silica nanoparticle beds. The thermal resistance between nanoparticles is shown to increase rapidly as the particle contact radius decreases. More significantly, the interparticle resistance depends strongly on the forces between particles, in particular, the presence or absence of chemical bonds between nanoparticles. In addition, the effect of interfacial force strength on thermal resistance increases as the nanoparticle diameter decreases. The simulations results are shown to be in good agreement with experimental results for 20 nm silica nanoparticles.

  8. Negative Magnetoresistance in Amorphous Indium Oxide Wires

    Science.gov (United States)

    Mitra, Sreemanta; Tewari, Girish C.; Mahalu, Diana; Shahar, Dan

    2016-11-01

    We study magneto-transport properties of several amorphous Indium oxide nanowires of different widths. The wires show superconducting transition at zero magnetic field, but, there exist a finite resistance at the lowest temperature. The R(T) broadening was explained by available phase slip models. At low field, and far below the superconducting critical temperature, the wires with diameter equal to or less than 100 nm, show negative magnetoresistance (nMR). The magnitude of nMR and the crossover field are found to be dependent on both temperature and the cross-sectional area. We find that this intriguing behavior originates from the interplay between two field dependent contributions.

  9. ENHANCING ADHESION OF TETRAHEDRAL AMORPHOUS CARBON FILMS

    Institute of Scientific and Technical Information of China (English)

    Zhao Yuqing; Lin Yi; Wang Xiaoyan; Wang Yanwu; Wei Xinyu

    2005-01-01

    Objective The high energy ion bombardment technique is applied to enhancing the adhesion of the tetrahedral amorphous carbon (TAC) films deposited by the filtered cathode vacuum arc (FCVA). Methods The abrasion method, scratch method, heating and shaking method as well as boiling salt solution method is used to test the adhesion of the TAC films on various material substrates. Results The test results show that the adhesion is increased as the ion bombardment energy increases. However, if the bombardment energy were over the corresponding optimum value, the adhesion would be enhanced very slowly for the harder material substrates and drops quickly, for the softer ones. Conclusion The optimum values of the ion bombardment energy are larger for the harder materials than that for the softer ones.

  10. Three-Terminal Amorphous Silicon Solar Cells

    Directory of Open Access Journals (Sweden)

    Cheng-Hung Tai

    2011-01-01

    Full Text Available Many defects exist within amorphous silicon since it is not crystalline. This provides recombination centers, thus reducing the efficiency of a typical a-Si solar cell. A new structure is presented in this paper: a three-terminal a-Si solar cell. The new back-to-back p-i-n/n-i-p structure increased the average electric field in a solar cell. A typical a-Si p-i-n solar cell was also simulated for comparison using the same thickness and material parameters. The 0.28 μm-thick three-terminal a-Si solar cell achieved an efficiency of 11.4%, while the efficiency of a typical a-Si p-i-n solar cell was 9.0%. Furthermore, an efficiency of 11.7% was achieved by thickness optimization of the three-terminal solar cell.

  11. Energy landscape of relaxed amorphous silicon

    Science.gov (United States)

    Valiquette, Francis; Mousseau, Normand

    2003-09-01

    We analyze the structure of the energy landscape of a well-relaxed 1000-atom model of amorphous silicon using the activation-relaxation technique (ART nouveau). Generating more than 40 000 events starting from a single minimum, we find that activated mechanisms are local in nature, that they are distributed uniformly throughout the model, and that the activation energy is limited by the cost of breaking one bond, independently of the complexity of the mechanism. The overall shape of the activation-energy-barrier distribution is also insensitive to the exact details of the configuration, indicating that well-relaxed configurations see essentially the same environment. These results underscore the localized nature of relaxation in this material.

  12. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    Ranber Singh; S Prakash

    2003-07-01

    The problem of hydrogen diffusion in hydrogenated amorphous silicon (a-Si:H) is studied semiclassically. It is found that the local hydrogen concentration fluctuations-induced extra potential wells, if intense enough, lead to the localized electronic states in a-Si:H. These localized states are metastable. The trapping of electrons and holes in these states leads to the electrical degradation of the material. These states also act as recombination centers for photo-generated carriers (electrons and holes) which in turn may excite a hydrogen atom from a nearby Si–H bond and breaks the weak (strained) Si–Si bond thereby apparently enhancing the hydrogen diffusion and increasing the light-induced dangling bonds.

  13. Tunable plasticity in amorphous silicon carbide films.

    Science.gov (United States)

    Matsuda, Yusuke; Kim, Namjun; King, Sean W; Bielefeld, Jeff; Stebbins, Jonathan F; Dauskardt, Reinhold H

    2013-08-28

    Plasticity plays a crucial role in the mechanical behavior of engineering materials. For instance, energy dissipation during plastic deformation is vital to the sufficient fracture resistance of engineering materials. Thus, the lack of plasticity in brittle hybrid organic-inorganic glasses (hybrid glasses) often results in a low fracture resistance and has been a significant challenge for their integration and applications. Here, we demonstrate that hydrogenated amorphous silicon carbide films, a class of hybrid glasses, can exhibit a plasticity that is even tunable by controlling their molecular structure and thereby leads to an increased and adjustable fracture resistance in the films. We decouple the plasticity contribution from the fracture resistance of the films by estimating the "work-of-fracture" using a mean-field approach, which provides some insight into a potential connection between the onset of plasticity in the films and the well-known rigidity percolation threshold.

  14. Buckling instability in amorphous carbon films

    Science.gov (United States)

    Zhu, X. D.; Narumi, K.; Naramoto, H.

    2007-06-01

    In this paper, we report the buckling instability in amorphous carbon films on mirror-polished sapphire (0001) wafers deposited by ion beam assisted deposition at various growth temperatures. For the films deposited at 150 °C, many interesting stress relief patterns are found, which include networks, blisters, sinusoidal patterns with π-shape, and highly ordered sinusoidal waves on a large scale. Starting at irregular buckling in the centre, the latter propagate towards the outer buckling region. The maximum length of these ordered patterns reaches 396 µm with a height of ~500 nm and a wavelength of ~8.2 µm. However, the length decreases dramatically to 70 µm as the deposition temperature is increased to 550 °C. The delamination of the film appears instead of sinusoidal waves with a further increase of the deposition temperature. This experimental observation is correlated with the theoretic work of Crosby (1999 Phys. Rev. E 59 R2542).

  15. Nickel-induced crystallization of amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, J A; Arce, R D; Buitrago, R H [INTEC (CONICET-UNL), Gueemes 3450, S3000GLN Santa Fe (Argentina); Budini, N; Rinaldi, P, E-mail: jschmidt@intec.unl.edu.a [FIQ - UNL, Santiago del Estero 2829, S3000AOM Santa Fe (Argentina)

    2009-05-01

    The nickel-induced crystallization of hydrogenated amorphous silicon (a-Si:H) is used to obtain large grained polycrystalline silicon thin films on glass substrates. a-Si:H is deposited by plasma enhanced chemical vapour deposition at 200 deg. C, preparing intrinsic and slightly p-doped samples. Each sample was divided in several pieces, over which increasing Ni concentrations were sputtered. Two crystallization methods are compared, conventional furnace annealing (CFA) and rapid thermal annealing (RTA). The crystallization was followed by optical microscopy and scanning electron microscopy observations, X-ray diffraction, and reflectance measurements in the UV region. The large grain sizes obtained - larger than 100{mu}m for the samples crystallized by CFA - are very encouraging for the preparation of low-cost thin film polycrystalline silicon solar cells.

  16. Nanostructural characterization of amorphous diamondlike carbon films

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-01-27

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

  17. Phyllosilicates and Amorphous Gel in the Nakhlites

    Science.gov (United States)

    Hicks, L. J.; Bridges, J. C.; Gurman, S. J.

    2013-09-01

    Previous studies of the nakhlite martian meteorites have revealed hydrothermal minerals present within the fractures of the olivine minerals and the mesostasis. The olivine fractures of the Lafayette nakhlite reveal variations with initial deposits of siderite on the fracture walls, followed by crystalline phyllosilicates (smectite), and finishing with a rapidly cooled amorphous silicate gel within the central regions of the fractures. The mesostasis fractures of Lafayette also contain a crystalline phyllosilicate (serpentine). The amorphous gel is the most abundant secondary phase within the fractures of the other nakhlites [1, 2]. By studying nine nakhlite samples, including Lafayette, Governador Valadares, Nakhla, Y-000593, Y-000749, Miller-Range 03346, NWA 817, NWA 998, and NWA 5790, our aim is to constrain the identity of the phyllosilicate secondary phase minerals found throughout the nakhlite martian meteorites. This is achieved using methods including Electron Probe Micro-analysis (EPMA); X-ray Absorption Near-Edge Structure (Fe-K XANES) spectroscopy measured using Beamline I-18 at the Diamond Light Source synchrotron; and the use of Transmission Electron Microscopy (TEM) at the University of Leicester for High-Resolution (HR) imaging and Selected Area Electron Diffraction (SAED). BF studying nine nakhlite samples, including Lafayette, Governador Valadares, Nakhla, Y-000593, Y-000749, Miller-Range 03346, NWA 817, NWA 998, and NWA 5790, our aim is to constrain the identity of the phyllosilicate secondary phase minerals found throughout the nakhlite martian meteorites. This is achieved using methods including Electron Probe Micro-analysis (EPMA); X-ray Absorption Near-Edge Structure (Fe-K XANES) spectroscopy measured using Beamline I-18 at the Diamond Light Source synchrotron; and the use of Transmission Electron Microscopy (TEM) at the University of Leicester for High-Resolution (HR) imaging and Selected Area Electron Diffraction (SAED).

  18. Water

    CSIR Research Space (South Africa)

    Van Wyk, Llewellyn V

    2010-08-01

    Full Text Available Water scarcity is without a doubt on of the greatest threats to the human species and has all the potential to destabilise world peace. Falling water tables are a new phenomenon. Up until the development of steam and electric motors, deep groudwater...

  19. Anomalous hopping conduction in nanocrystalline/amorphous composites and amorphous semiconductor thin films

    Science.gov (United States)

    Kakalios, James; Bodurtha, Kent

    Composite nanostructured materials consisting of nanocrystals (nc) embedded within a thin film amorphous matrix can exhibit novel opto-electronic properties. Composite films are synthesized in a dual-chamber co-deposition PECVD system capable of producing nanocrystals of material A and embedding then within a thin film matrix of material B. Electronic conduction in composite thin films of hydrogenated amorphous silicon (a-Si:H) containing nc-germanium or nc-silicon inclusions, as well as in undoped a-Si:H, does not follow an Arrhenius temperature dependence, but rather is better described by an anomalous hopping expression (exp[-(To/T)3/4) , as determined from the ``reduced activation energy'' proposed by Zabrodskii and Shlimak. This temperature dependence has been observed in other thin film resistive materials, such as ultra-thin disordered films of Ag, Bi, Pb and Pd; carbon-black polymer composites; and weakly coupled Au and ZnO quantum dot arrays. There is presently no accepted theoretical understanding of this expression. The concept of a mobility edge, accepted for over four decades, appears to not be necessary to account for charge transport in amorphous semiconductors. Supported by NSF-DMR and the Minnesota Nano Center.

  20. Single crystal to single crystal (SC-to-SC) transformation from a nonporous to porous metal-organic framework and its application potential in gas adsorption and Suzuki coupling reaction through postmodification.

    Science.gov (United States)

    Sen, Rupam; Saha, Debraj; Koner, Subratanath; Brandão, Paula; Lin, Zhi

    2015-04-07

    A new amino-functionalized strontium-carboxylate-based metal-organic framework (MOF) has been synthesized that undergoes single crystal to single crystal (SC-to-SC) transformation upon desolvation. Both structures have been characterized by single-crystal X-ray analysis. The desolvated structure shows an interesting 3D porous structure with pendent -NH2 groups inside the pore wall, whereas the solvated compound possesses a nonporous structure with DMF molecules on the metal centers. The amino group was postmodified through Schiff base condensation by pyridine-2-carboxaldehyde and palladium was anchored on that site. The modified framework has been utilized for the Suzuki cross-coupling reaction. The compound shows high activity towards the C-C cross-coupling reaction with good yields and turnover frequencies. Gas adsorption studies showed that the desolvated compound had permanent porosity and was microporous in nature with a BET surface area of 2052 m(2)  g(-1). The material also possesses good CO2 (8 wt %) and H2 (1.87 wt %) adsorption capabilities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Encapsulation of CO2 into amorphous alpha-cyclodextrin powder at different moisture contents - Part 1: Encapsulation capacity and stability of inclusion complexes.

    Science.gov (United States)

    Ho, Thao M; Howes, Tony; Bhandari, Bhesh R

    2016-07-15

    This study investigated the effects of water-induced crystallization of amorphous alpha-cyclodextrin (α-CD) powder on CO2 encapsulation at 0.4-1.6 MPa pressure for 1-72 h through the addition of water (to reach to 13, 15 and 17% wet basis, w.b.) into amorphous α-CD powder prior to the encapsulation. The results showed that the α-CD encapsulation capacity was over 1 mol CO2/mol α-CD after pressurizing for longer than 48 h. The encapsulated CO2 concentration by the addition of water was considerably higher (pencapsulation conditions. A comparison of CO2 release properties (75% relative humidity, 25 °C) from complexed powders prepared from amorphous and crystalline α-CD powders under the same conditions is also presented.

  2. Health hazards due to the inhalation of amorphous silica.

    Science.gov (United States)

    Merget, R; Bauer, T; Küpper, H U; Philippou, S; Bauer, H D; Breitstadt, R; Bruening, T

    2002-01-01

    Occupational exposure to crystalline silica dust is associated with an increased risk for pulmonary diseases such as silicosis, tuberculosis, chronic bronchitis, chronic obstructive pulmonary disease (COPD) and lung cancer. This review summarizes the current knowledge about the health effects of amorphous (non-crystalline) forms of silica. The major problem in the assessment of health effects of amorphous silica is its contamination with crystalline silica. This applies particularly to well-documented pneumoconiosis among diatomaceous earth workers. Intentionally manufactured synthetic amorphous silicas are without contamination of crystalline silica. These synthetic forms may be classified as (1) wet process silica, (2) pyrogenic ("thermal" or "fumed") silica, and (3) chemically or physically modified silica. According to the different physicochemical properties, the major classes of synthetic amorphous silica are used in a variety of products, e.g. as fillers in the rubber industry, in tyre compounds, as free-flow and anti-caking agents in powder materials, and as liquid carriers, particularly in the manufacture of animal feed and agrochemicals; other uses are found in toothpaste additives, paints, silicon rubber, insulation material, liquid systems in coatings, adhesives, printing inks, plastisol car undercoats, and cosmetics. Animal inhalation studies with intentionally manufactured synthetic amorphous silica showed at least partially reversible inflammation, granuloma formation and emphysema, but no progressive fibrosis of the lungs. Epidemiological studies do not support the hypothesis that amorphous silicas have any relevant potential to induce fibrosis in workers with high occupational exposure to these substances, although one study disclosed four cases with silicosis among subjects exposed to apparently non-contaminated amorphous silica. Since the data have been limited, a risk of chronic bronchitis, COPD or emphysema cannot be excluded. There is no study

  3. Water

    Directory of Open Access Journals (Sweden)

    E. Sanmuga Priya

    2017-05-01

    Full Text Available Phytoremediation through aquatic macrophytes treatment system (AMATS for the removal of pollutants and contaminants from various natural sources is a well established environmental protection technique. Water hyacinth (Eichhornia crassipes, a worst invasive aquatic weed has been utilised for various research activities over the last few decades. The biosorption capacity of the water hyacinth in minimising various contaminants present in the industrial wastewater is well studied. The present review quotes the literatures related to the biosorption capacity of the water hyacinth in reducing the concentration of dyestuffs, heavy metals and minimising certain other physiochemical parameters like TSS (total suspended solids, TDS (total dissolved solids, COD (chemical oxygen demand and BOD (biological oxygen demand in textile wastewater. Sorption kinetics through various models, factors influencing the biosorption capacity, and role of physical and chemical modifications in the water hyacinth are also discussed.

  4. Hydrogen-induced crystallization of an amorphous metal

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Pil-Ryung [School of Advanced Materials Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of)], E-mail: cprdream@kookmin.ac.kr; Kim, Yu Chan [Advanced Metals Research Center, Korean Institute of Science and Technology, Seoul 130-650 (Korea, Republic of); Kim, Ki-Bae [Advanced Metals Research Center, Korean Institute of Science and Technology, Seoul 130-650 (Korea, Republic of); Seok, Hyun-Kwang [Advanced Metals Research Center, Korean Institute of Science and Technology, Seoul 130-650 (Korea, Republic of); Fleury, Eric [Advanced Metals Research Center, Korean Institute of Science and Technology, Seoul 130-650 (Korea, Republic of); Han, Seung-Hee [Advanced Metals Research Center, Korean Institute of Science and Technology, Seoul 130-650 (Korea, Republic of)

    2007-04-15

    The influence of hydrogen on the structural stability of an amorphous nickel has been analyzed by molecular dynamics simulation. We find that the volume of the amorphous metal increases nonlinearly with the hydrogen concentration and that it crystallizes at a certain critical concentration. The crystallization is shown to be caused by hydrogen-induced transition from the amorphous to the supercooled liquid state, and the change of diffusion mechanism from atomic hopping to string-like collective motion is also observed at the transition.

  5. Preparation of Ti-based amorphous brazing alloy

    Institute of Scientific and Technical Information of China (English)

    ZOU Jia-sheng; JIANG Zhi-guo; XU Zhi-rong; CHEN Guang

    2006-01-01

    A new kind of amorphous active brazing alloy foil with the composition of Ti40Zr25Ni15Cu20 was successfully synthesized using melt spinning in roll forging machine in argon atmosphere. The amorphous structure and composition were examined by X-ray diffraction, differential thermal analysis and energy dispersive X-ray detector. The results show that the Ti40Zr25Ni15Cu20 amorphous alloy foil has excellent wettability on Si3N4 ceramic and demonstrate a strong glass forming ability. The reduced glass transition temperature (Trg) and the temperature interval of supercooled liquid region before crystallization are 0.76 and 78 K, respectively.

  6. Amorphous Photonic Lattices: Band Gaps, Effective Mass and Suppressed Transport

    CERN Document Server

    Rechtsman, Mikael; Dreisow, Felix; Heinrich, Matthias; Keil, Robert; Nolte, Stefan; Segev, Mordechai

    2010-01-01

    We present, theoretically and experimentally, amorphous photonic lattices exhibiting a band-gap yet completely lacking Bragg diffraction: 2D waveguides distributed randomly according to a liquid-like model responsible for the absence of Bragg peaks as opposed to ordered lattices containing disorder, which always exhibit Bragg peaks. In amorphous lattices the bands are comprised of localized states, but we find that defect states residing in the gap are more localized than the Anderson localization length. Finally, we show how the concept of effective mass carries over to amorphous lattices.

  7. Continuous controllable amorphization ratio of nanoscale phase change memory cells

    Science.gov (United States)

    He, Q.; Li, Z.; Peng, J. H.; Deng, Y. F.; Zeng, B. J.; Zhou, W.; Miao, X. S.

    2014-06-01

    The controllable heat behavior, including heat generation and dissipation, is one of the most important physical problems of nanoscale phase-change memory (PCM). A method based on heat accumulation effect to control heat behavior by synthetically modulating the three parameters of applied double pulses is proposed to achieve any expected amorphization ratio. A compact model of nanoscale PCM cells is used to simulate the thermal behavior and amorphization ratio under the condition of single parameter and multi-parameter change of applied double pulses. The results are in good agreement with the experimental results. Repeated experiments also prove the feasibility of continuous controllable amorphization ratio of nanoscale phase-change materials.

  8. Depressurization amorphization of single-crystal boron carbide.

    Science.gov (United States)

    Yan, X Q; Tang, Z; Zhang, L; Guo, J J; Jin, C Q; Zhang, Y; Goto, T; McCauley, J W; Chen, M W

    2009-02-20

    We report depressurization amorphization of single-crystal boron carbide (B4C) investigated by in situ high-pressure Raman spectroscopy. It was found that localized amorphization of B4C takes place during unloading from high pressures, and nonhydrostatic stresses play a critical role in the high-pressure phase transition. First-principles molecular dynamics simulations reveal that the depressurization amorphization results from pressure-induced irreversible bending of C-B-C atomic chains cross-linking 12 atom icosahedra at the rhombohedral vertices.

  9. Photoemission studies of amorphous silicon induced by P + ion implantation

    Science.gov (United States)

    Petö, G.; Kanski, J.

    1995-12-01

    An amorphous Si layer was formed on a Si (1 0 0) surface by P + implantation at 80 keV. This layer was investigated by means of photoelectron spectroscopy. The resulting spectra are different from earlier spectra on amorphous Si prepared by e-gun evaporation or cathode sputtering. The differences consist of a decreased intensity in the spectral region corresponding to p-states, and appearace of new states at higher binding energy. Qualitativity similar results have been reported for Sb implanted amorphous Ge and the modification seems to be due to the changed short range order.

  10. Structures of surface and interface of amorphous ice

    Science.gov (United States)

    Kumagai, Yu; Ikeda-Fukazawa, Tomoko

    2017-06-01

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

  11. Thermally highly stable amorphous zinc phosphate intermediates during the formation of zinc phosphate hydrate.

    Science.gov (United States)

    Bach, Sven; Celinski, Vinicius R; Dietzsch, Michael; Panthöfer, Martin; Bienert, Ralf; Emmerling, Franziska; Schmedt auf der Günne, Jörn; Tremel, Wolfgang

    2015-02-18

    The mechanisms by which amorphous intermediates transform into crystalline materials are still poorly understood. Here we attempt to illuminate the formation of an amorphous precursor by investigating the crystallization process of zinc phosphate hydrate. This work shows that amorphous zinc phosphate (AZP) nanoparticles precipitate from aqueous solutions prior to the crystalline hopeite phase at low concentrations and in the absence of additives at room temperature. AZP nanoparticles are thermally stable against crystallization even at 400 °C (resulting in a high temperature AZP), but they crystallize rapidly in the presence of water if the reaction is not interrupted. X-ray powder diffraction with high-energy synchrotron radiation, scanning and transmission electron microscopy, selected area electron diffraction, and small-angle X-ray scattering showed the particle size (≈20 nm) and confirmed the noncrystallinity of the nanoparticle intermediates. Energy dispersive X-ray, infrared, and Raman spectroscopy, inductively coupled plasma mass spectrometry, and optical emission spectrometry as well as thermal analysis were used for further compositional characterization of the as synthesized nanomaterial. (1)H solid-state NMR allowed the quantification of the hydrogen content, while an analysis of (31)P{(1)H} C rotational echo double resonance spectra permitted a dynamic and structural analysis of the crystallization pathway to hopeite.

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

    Science.gov (United States)

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

    2002-03-01

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

  13. Formation of single-crystalline aragonite tablets/films via an amorphous precursor.

    Science.gov (United States)

    Amos, Fairland F; Sharbaugh, Denise M; Talham, Daniel R; Gower, Laurie B; Fricke, Marc; Volkmer, Dirk

    2007-02-13

    Thin tablets and films of calcium carbonate have been grown at the air-water interface via an amorphous precursor route using soluble process-directing agents and a Langmuir monolayer based on resorcarene. By using appropriate concentrations of poly(acrylic acid-sodium salt) in combination with Mg2+ ion, an initially amorphous film is deposited on the monolayer template, which subsequently crystallizes into a mosaic film composed of a mixture of single-crystalline and spherulitic patches of calcite and aragonite. Of particular importance is the synthesis of single-crystalline "tablets" of aragonite (approximately 600 nm thick), because this phase generally forms needle-like polycrystalline aggregates when grown in vitro. To our knowledge, a tabular single-crystalline morphology of aragonite has only been observed in the nacreous layer of mollusk shells. Therefore, this in vitro system may serve as a useful model for examining mechanistic issues pertinent to biomineralization, such as the influence of organic templates on nucleation from an amorphous phase.

  14. Formulation and delivery of improved amorphous fenofibrate solid dispersions prepared by thin film freezing.

    Science.gov (United States)

    Zhang, Meimei; Li, Houli; Lang, Bo; O'Donnell, Kevin; Zhang, Haohao; Wang, Zhouhua; Dong, Yixuan; Wu, Chuanbin; Williams, Robert O

    2012-11-01

    The objective of this study was to prepare amorphous fenofibrate (FB) solid dispersions using thin film freezing (TFF) and to incorporate the solid dispersions into pharmaceutically acceptable dosage forms. FB solid dispersions prepared with optimized drug/polymer ratios were characterized by modulated differential scanning calorimetry (MDSC), powder X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET) specific surface area measurements, Fourier-transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR), and supersaturation dissolution testing. Furthermore, a dry granulation technique was used to encapsulate the TFF compositions for in vitro dissolution and in vivo animal pharmacokinetic studies. The results showed that the TFF process produced amorphous, porous, microstructured, and stable solid dispersions with high surface areas. Development of solid oral dosage forms revealed that the performance of the FB containing solid dispersions was not affected by the formulation process, which was confirmed by DSC and XRD. Moreover, an in vivo pharmacokinetic study in rats revealed a significant increase in FB absorption compared to bulk FB. We confirmed that amorphous solid dispersions with large surface areas produced by the TFF process displayed superior dissolution rates and corresponding enhanced bioavailability of the poorly water-soluble drug, FB. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. Predicting the Solubility Advantage of Amorphous Pharmaceuticals: A Novel Thermodynamic Approach.

    Science.gov (United States)

    Paus, Raphael; Ji, Yuanhui; Vahle, Lisa; Sadowski, Gabriele

    2015-08-03

    For the solubility and bioavailability of poorly soluble active pharmaceutical ingredients (APIs) to be improved, the transformation of crystalline APIs to the amorphous state has often been shown to be advantageous. As it is often difficult to measure the solubility of amorphous APIs, the application of thermodynamic models is the method of choice for determining the solubility advantage. In this work, the temperature-dependent solubility advantage of an amorphous API versus its crystalline form was predicted for five poorly soluble APIs in water (glibenclamide, griseofulvin, hydrochlorothiazide, indomethacin, and itraconazole) based on modeling the API/solvent phase diagrams using the perturbed-chain statistical associating fluid theory (PC-SAFT). Evaluation of the performance of this approach was performed by comparing the predicted solubility advantage to experimental data and to the solubility advantage calculated by the commonly applied Gibbs-energy-difference method. For all of the systems considered, PC-SAFT predictions of the solubility advantage are significantly more accurate than the results obtained from the Gibbs-energy-difference method.

  16. Control method for light deterioration of amorphous solar cell. 2. Temperature effect method; Amorphous taiyo denchi no hikari rekka yokuseiho. 2. Ondo kokaho

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, H.; Itsumi, J.; Sano, N. [Kumamoto Institute of Technology, Kumamoto (Japan)

    1997-11-25

    Experimental studies have been carried out on suppressing early deterioration in amorphous silicon solar cells. The amorphous silicon solar cell is characterized by deterioration due to light irradiation and restoration due to temperature rise. An exposure experiment was performed under three conditions: installation in natural environment, installation with rear side of the solar cells covered with an insulating material, and installation with rear side of the solar cells covered with warming elements and an insulating material. Tests were made on suppressing progress of the early deterioration caused by temperature conditions. As a result, the efficiency in the natural condition was found to decrease as largely as 32% in an open circuit condition and 58% in a short circuit condition. The efficiency reduction rate was smaller in the open circuit condition when the insulation material was installed, but in the short circuit condition, resistance characteristics caused by rain water and electrolytic corrosion were exhibited. For the case with warming elements installed, the reduction in the efficiency was more remarkable, contrary to the expectation. The cause was determined that water existing between the rear side and the warming elements was warmed up, accelerating the electrolytic action, and resulting in deterioration advanced over a wide area in the rear side. 6 refs., 6 figs., 3 tabs.

  17. Microstructure and debris fracture in amorphous Ni–P-CNT ...

    African Journals Online (AJOL)

    Amorphous nickel–phosphorus (Ni–P)-based Carbon Nanotubes (CNTs) composite .... wear force, such as stress concentration and rapid dynamic, which cause severe ... Friction and wear behavior of ultra-high molecular weightpolyethylene ...

  18. Microcavity effects in the photoluminescence of hydrogenated amorphous silicon nitride

    Science.gov (United States)

    Serpenguzel, Ali; Aydinli, Atilla; Bek, Alpan

    1998-07-01

    Fabry-Perot microcavities are used for the alteration of photoluminescence in hydrogenated amorphous silicon nitride grown with and without ammonia. The photoluminescence is red-near-infrared for the samples grown without ammonia, and blue-green for the samples grown with ammonia. In the Fabry- Perot microcavities, the amplitude of the photoluminescence is enhanced, while its linewidth is reduced with respect to the bulk hydrogenated amorphous silicon nitride. The microcavity was realized by a metallic back mirror and a hydrogenated amorphous silicon nitride--air or a metallic front mirror. The transmittance, reflectance, and absorbance spectra were also measured and calculated. The calculated spectra agree well with the experimental spectra. The hydrogenated amorphous silicon nitride microcavity has potential for becoming a versatile silicon based optoelectronic device such as a color flat panel display, a resonant cavity enhanced light emitting diode, or a laser.

  19. CONDUCTION MECHANISM IN AMORPHOUS As2S3

    African Journals Online (AJOL)

    User

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

  20. Raman and ellipsometric characterization of hydrogenated amorphous silicon thin films

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Hydrogenated amorphous silicon (a-Si:H) thin films were deposited by plasma-enhanced vapor deposition (PECVD) at different silane temperatures (Tg) before glow-discharge. The effect of Tg on the amorphous network and optoelectronic properties of the films has been investigated by Raman scattering spectra, ellipsometric transmittance spectra, and dark conductivity measurement, respectively. The results show that the increase in Tg leads to an improved ordering of amorphous network on the short and intermediate scales and an increase of both refractive index and absorption coefficient in a-Si:H thin films. It is indicated that the dark conductivity increases by two orders of magnitude when Tg is raised from room temperature (RT) to 433 K. The continuous ordering of amorphous network of a-Si:H thin films deposited at a higher Tg is the main cause for the increase of dark conductivity.

  1. Structure and Properties of an Amorphous Metal-Organic Framework

    Science.gov (United States)

    Bennett, Thomas D.; Goodwin, Andrew L.; Dove, Martin T.; Keen, David A.; Tucker, Matthew G.; Barney, Emma R.; Soper, Alan K.; Bithell, Erica G.; Tan, Jin-Chong; Cheetham, Anthony K.

    2010-03-01

    ZIF-4, a metal-organic framework (MOF) with a zeolitic structure, undergoes a crystal-amorphous transition on heating to 300°C. The amorphous form, which we term a-ZIF, is recoverable to ambient conditions or may be converted to a dense crystalline phase of the same composition by heating to 400°C. Neutron and x-ray total scattering data collected during the amorphization process are used as a basis for reverse Monte Carlo refinement of an atomistic model of the structure of a-ZIF. The structure is best understood in terms of a continuous random network analogous to that of a-SiO2. Optical microscopy, electron diffraction and nanoindentation measurements reveal a-ZIF to be an isotropic glasslike phase capable of plastic flow on its formation. Our results suggest an avenue for designing broad new families of amorphous and glasslike materials that exploit the chemical and structural diversity of MOFs.

  2. Stress originating from nanovoids in hydrogenated amorphous semiconductors

    Science.gov (United States)

    Wang, Zumin; Flötotto, David; Mittemeijer, Eric J.

    2017-03-01

    Structural inhomogeneities in the form of voids of nanometer sizes (nanovoids) have long been known to be present in hydrogenated amorphous semiconductors (Si, Ge). The physical and electrical properties of hydrogenated amorphous semiconductors can be pronouncedly influenced by the presence and characteristics of such nanovoids. In this work, by measuring in situ the intrinsic stress developments during deposition of pure, amorphous and of hydrogenated amorphous semiconductor (Si, Ge) thin films, under the same conditions in ultrahigh vacuum and on a comparative basis, a major source of tensile stress development could be ascribed to the occurrence of nanovoids in a-Si:H and a-Ge:H. The measurements allowed a quantitative evaluation of the surface stress acting along the surface of the nanovoids: 1.1-1.9 N/m for a-Si:H and 0.9-1.9 N/m for a-Ge:H.

  3. Refining stability and dissolution rate of amorphous drug formulations

    DEFF Research Database (Denmark)

    Grohganz, Holger; Priemel, Petra A; Löbmann, Korbinian;

    2014-01-01

    amorphous counterpart is often seen as a potential solution to increase the solubility. However, amorphous systems are physically unstable. Therefore, pharmaceutical formulations scientists need to find ways to stabilise amorphous forms. Areas covered: The use of polymer-based solid dispersions is the most......Introduction: Poor aqueous solubility of active pharmaceutical ingredients (APIs) is one of the main challenges in the development of new small molecular drugs. Additionally, the proportion of poorly soluble drugs among new chemical entities is increasing. The transfer of a crystalline drug to its...... established technique for the stabilisation of amorphous forms, and this review will initially focus on new developments in this field. Additionally, newly discovered formulation approaches will be investigated, including approaches based on the physical restriction of crystallisation and crystal growth...

  4. Amorphous semiconductor sample preparation for transmission EXAFS measurements

    Energy Technology Data Exchange (ETDEWEB)

    Ridgway, M.C.; Glover, C.J.; Tan, H.H. [Australian National Univ., Canberra (Australia). Dept. of Electronic Materials Engineering] [and others

    1998-12-31

    A novel methodology has been developed for the preparation of amorphous semiconductor samples for use in transmission extended x-ray absorption fine structure (EXAFS) measurements. Epitaxial heterostructures were fabricated by metal organic chemical vapor deposition (group III-Vs) or molecular beam epitaxy (group IVs). An epitaxial layer of {approximately} 2 {micro}m thickness was separated from the underlying substrate by selective chemical etching of an intermediate sacrificial layer. Ion implantation was utilized to amorphize the epitaxial layer either before or after selective chemical etching. The resulting samples were both stoichiometric and homogeneous in contrast to those produced by conventional techniques. The fabrication of amorphous GaAs, InP, In{sub 0.53}Ga{sub 0.47}As and Si{sub x}Ge{sub 1{minus}x} samples is described. Furthermore, EXAFS measurements comparing both fluorescence and transmission detection, and crystalline and amorphized GaAs, are shown.

  5. RF Sputtering for preparing substantially pure amorphous silicon monohydride

    Science.gov (United States)

    Jeffrey, Frank R.; Shanks, Howard R.

    1982-10-12

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

  6. Nanocavity Shrinkage and Preferential Amorphization during Irradiation in Silicon

    Institute of Scientific and Technical Information of China (English)

    ZHU Xian-Fang; WANG Zhan-Guo

    2005-01-01

    @@ We model the recent experimental results and demonstrate that the internal shrinkage of nanocavities in silicon is intrinsically associated with preferential amorphization as induced by self-ion irradiation.

  7. Predicting Crystallization of Amorphous Drugs with Terahertz Spectroscopy.

    Science.gov (United States)

    Sibik, Juraj; Löbmann, Korbinian; Rades, Thomas; Zeitler, J Axel

    2015-08-03

    There is a controversy about the extent to which the primary and secondary dielectric relaxations influence the crystallization of amorphous organic compounds below the glass transition temperature. Recent studies also point to the importance of fast molecular dynamics on picosecond-to-nanosecond time scales with respect to the glass stability. In the present study we provide terahertz spectroscopy evidence on the crystallization of amorphous naproxen well below its glass transition temperature and confirm the direct role of Johari-Goldstein (JG) secondary relaxation as a facilitator of the crystallization. We determine the onset temperature Tβ above which the JG relaxation contributes to the fast molecular dynamics and analytically quantify the level of this contribution. We then show there is a strong correlation between the increase in the fast molecular dynamics and onset of crystallization in several chosen amorphous drugs. We believe that this technique has immediate applications to quantify the stability of amorphous drug materials.

  8. Influence of amorphous structure on polymorphism in vanadia

    Science.gov (United States)

    Stone, Kevin H.; Schelhas, Laura T.; Garten, Lauren M.; Shyam, Badri; Mehta, Apurva; Ndione, Paul F.; Ginley, David S.; Toney, Michael F.

    2016-07-01

    Normally we think of the glassy state as a single phase and therefore crystallization from chemically identical amorphous precursors should be identical. Here we show that the local structure of an amorphous precursor is distinct depending on the initial deposition conditions, resulting in significant differences in the final state material. Using grazing incidence total x-ray scattering, we have determined the local structure in amorphous thin films of vanadium oxide grown under different conditions using pulsed laser deposition (PLD). Here we show that the subsequent crystallization of films deposited using different initial PLD conditions result in the formation of different polymorphs of VO2. This suggests the possibility of controlling the formation of metastable polymorphs by tuning the initial amorphous structure to different formation pathways.

  9. Enhanced Corrosion Resistance of Iron-Based Amorphous Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Rebak, R B; Day, S D; Lian, T; Aprigliano, L F; Hailey, P D; Farmer, J C

    2007-02-18

    Iron-based amorphous alloys possess enhanced hardness and are highly resistant to corrosion, which make them desirable for wear applications in corrosive environments. It was of interest to examine the behavior of amorphous alloys during anodic polarization in concentrated salt solutions and in the salt-fog testing. Results from the testing of one amorphous material (SAM2X5) both in ribbon form and as an applied coating are reported here. Cyclic polarization tests were performed on SAM2X5 ribbon as well as on other nuclear engineering materials. SAM2X5 showed the highest resistance to localized corrosion in 5 M CaCl{sub 2} solution at 105 C. Salt fog tests of 316L SS and Alloy 22 coupons coated with amorphous SAM2X5 powder showed resistance to rusting. Partial devitrification may be responsible for isolated pinpoint rust spots in some coatings.

  10. Directional amorphization of boron carbide subjected to laser shock compression

    Science.gov (United States)

    Zhao, Shiteng; Kad, Bimal; Remington, Bruce A.; LaSalvia, Jerry C.; Wehrenberg, Christopher E.; Behler, Kristopher D.; Meyers, Marc A.

    2016-10-01

    Solid-state shock-wave propagation is strongly nonequilibrium in nature and hence rate dependent. Using high-power pulsed-laser-driven shock compression, unprecedented high strain rates can be achieved; here we report the directional amorphization in boron carbide polycrystals. At a shock pressure of 45˜50 GPa, multiple planar faults, slightly deviated from maximum shear direction, occur a few hundred nanometers below the shock surface. High-resolution transmission electron microscopy reveals that these planar faults are precursors of directional amorphization. It is proposed that the shear stresses cause the amorphization and that pressure assists the process by ensuring the integrity of the specimen. Thermal energy conversion calculations including heat transfer suggest that amorphization is a solid-state process. Such a phenomenon has significant effect on the ballistic performance of B4C.

  11. Amorphous solid dispersions: Rational selection of a manufacturing process.

    Science.gov (United States)

    Vasconcelos, Teófilo; Marques, Sara; das Neves, José; Sarmento, Bruno

    2016-05-01

    Amorphous products and particularly amorphous solid dispersions are currently one of the most exciting areas in the pharmaceutical field. This approach presents huge potential and advantageous features concerning the overall improvement of drug bioavailability. Currently, different manufacturing processes are being developed to produce amorphous solid dispersions with suitable robustness and reproducibility, ranging from solvent evaporation to melting processes. In the present paper, laboratorial and industrial scale processes were reviewed, and guidelines for a rationale selection of manufacturing processes were proposed. This would ensure an adequate development (laboratorial scale) and production according to the good manufacturing practices (GMP) (industrial scale) of amorphous solid dispersions, with further implications on the process validations and drug development pipeline. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Stability of deuterated amorphous silicon solar cells

    CERN Document Server

    Munyeme, G; Van der Meer, L F G; Dijkhuis, J I; Van der Weg, W F; Schropp, R

    2004-01-01

    In order to elucidate the microscopic mechanism for the earlier observed enhanced stability of deuterated amorphous silicon solar cells we conducted a side by-side study of fully deuterated intrinsic layers on crystalline silicon substrates using the free-electron laser facility at Nieuwegein (FELIX) to resonantly excite the Si-D stretching vibration and measure the various relaxation channels available to these modes, and of p-i-n solar cells with identical intrinsic absorber layers on glass/TCO substrates to record the degradation and stabilization of solar cell parameters under prolonged light soaking treatments. From our comparative study it is shown that a-Si:D has a superior resistance against light-induced defect creation as compared to a-Si:H and that this can now be explained in the light of the 'H collision model' since the initial step in the process, the release of H, is more likely than that of D. Thus, a natural explanation for the stability as observed in a-Si:D solar cells is provided.

  13. Hydrogen Bonding in Hydrogenated Amorphous Germanium

    Institute of Scientific and Technical Information of China (English)

    M.S.Abo-Ghazala; S. Al Hazmy

    2004-01-01

    Thin films of hydrogenated amorphous germanium (a-Ge:H) were prepared by radio frequency glow discharge deposition at various substrate temperatures. The hydrogen distribution and bonding structure in a-Ge:H were discussed based on infrared absorption data. The correlation between infrared absorption spectra and hydrogen effusion measurements was used to determine the proportionality constant for each vibration mode of the Ge-H bonds. The results reveal that the bending mode appearing at 835 cm?1 is associated with the Ge-H2 (dihydride) groups on the internal surfaces of voids. While 1880 cm?1 is assigned to vibrations of Ge-H (monohydride) groups in the bulk, the 2000 cm?1 stretching mode is attributed to Ge-H and Ge-H2 bonds located on the surfaces of voids. For films associated with bending modes in the infrared spectra, the proportionality constant values of the stretching modes near 1880 and 2000 cm?1 are found to be lower than those of films which had no corresponding bending modes.

  14. Inversion of diffraction data for amorphous materials

    Science.gov (United States)

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

    2016-09-01

    The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored-is an important unsolved problem for disordered materials. Such modeling should proceed by using our full knowledge base, both from experiment and theory. In this paper, we describe a robust method to jointly exploit the power of ab initio atomistic simulation along with the information carried by diffraction data. The method is applied to two very different systems: amorphous silicon and two compositions of a solid electrolyte memory material silver-doped GeSe3. The technique is easy to implement, is faster and yields results much improved over conventional simulation methods for the materials explored. By direct calculation, we show that the method works for both poor and excellent glass forming materials. It offers a means to add a priori information in first-principles modeling of materials, and represents a significant step toward the computational design of non-crystalline materials using accurate interatomic interactions and experimental information.

  15. Magnetic Properties of Nanometer-sized Crystalline and Amorphous Particles

    DEFF Research Database (Denmark)

    Mørup, Steen; Bødker, Franz; Hansen, Mikkel Fougt;

    1997-01-01

    Amorphous transition metal-metalloid alloy particles can be prepared by chemical preparation techniques. We discuss the preparation of transition metal-boron and iron-carbon particles and their magnetic properties. Nanometer-sized particles of both crystalline and amorphous magnetic materials...... are superparamagnetic at finite temperatures. The temperature dependence of the superparamagnetic relaxation time and the influence of inter-particle interactions is discussed. Finally, some examples of studies of surface magnetization of alpha-Fe particles are presented....

  16. Glass transition phenomena applied to powdered amorphous food carbohydrates

    OpenAIRE

    Ronkart, Sebastien N; Blecker, Christophe; Deroanne, Claude; Paquot, Michel

    2009-01-01

    Glass transition phenomena applied to powdered amorphous food carbohydrates. During these last fifteen years, some food technologists and scientists have become aware of the importance of the glass transition, a thermal property of glassy or amorphous material, in food preparation processes. Recent studies have successfully correlated this fundamental notion to technofunctional changes within the powder. The aim of this paper is to present in a non exhaustive manner the relationship between g...

  17. Threshold irradiation dose for amorphization of silicon carbide

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

    The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface of strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be {approximately}0.56 eV. This model successfully explains the difference in the temperature-dependent amorphization behavior of SiC irradiated with 0.56 MeV silicon ions at 1 x 10{sup {minus}3} dpa/s and with fission neutrons irradiated at 1 x 10{sup {minus}6} dpa/s irradiated to 15 dpa in the temperature range of {approximately}340 {+-} 10K.

  18. Amorphous Photonic Lattices: Band Gaps, Effective Mass and Suppressed Transport

    OpenAIRE

    Rechtsman, Mikael; Szameit, Alexander; Dreisow, Felix; Heinrich, Matthias; Keil, Robert; Nolte, Stefan; Segev, Mordechai

    2010-01-01

    We present, theoretically and experimentally, amorphous photonic lattices exhibiting a band-gap yet completely lacking Bragg diffraction: 2D waveguides distributed randomly according to a liquid-like model responsible for the absence of Bragg peaks as opposed to ordered lattices containing disorder, which always exhibit Bragg peaks. In amorphous lattices the bands are comprised of localized states, but we find that defect states residing in the gap are more localized than the Anderson localiz...

  19. Structure and Properties of Amorphous Transparent Conducting Oxides

    Science.gov (United States)

    Medvedeva, Julia

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

  20. Thermal decomposition of silane to form hydrogenated amorphous Si

    Science.gov (United States)

    Strongin, M.; Ghosh, A.K.; Wiesmann, H.J.; Rock, E.B.; Lutz, H.A. III

    Hydrogenated amorphous silicon is produced by thermally decomposing silane (SiH/sub 4/) or other gases comprising H and Si, at elevated temperatures of about 1700 to 2300/sup 0/C, in a vacuum of about 10/sup -8/ to 10/sup -4/ torr. A gaseous mixture is formed of atomic hydrogen and atomic silicon. The gaseous mixture is deposited onto a substrate to form hydrogenated amorphous silicon.

  1. Domain Wall Mobility in Co-Based Amorphous Wire

    Directory of Open Access Journals (Sweden)

    Maria Kladivova

    2007-01-01

    Full Text Available Dynamics of the domain wall between opposite circularly magnetized domains in amorphous cylindrical sample with circular easy direction is theoretically studied. The wall is driven by DC current. Various mechanisms which influence the wall velocity were taken into account: current magnitude, deformation of the mowing wall, Hall effect, axially magnetized domain in the middle of the wire. Theoretical results obtained are in a good agreement with experiments on Cobased amorphous ferromagnetic wires.

  2. Growth Induced Magnetic Anisotropy in Crystalline and Amorphous Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Frances

    1998-10-03

    OAK B204 Growth Induced Magnetic Anisotropy in Crystalline and Amorphous Thin Films. The work in the past 6 months has involved three areas of magnetic thin films: (1) amorphous rare earth-transition metal alloys, (2) epitaxial Co-Pt and hTi-Pt alloy thin films, and (3) collaborative work on heat capacity measurements of magnetic thin films, including nanoparticles and CMR materials.

  3. Magnetic Properties of Nanometer-sized Crystalline and Amorphous Particles

    DEFF Research Database (Denmark)

    Mørup, Steen; Bødker, Franz; Hansen, Mikkel Fougt

    1997-01-01

    Amorphous transition metal-metalloid alloy particles can be prepared by chemical preparation techniques. We discuss the preparation of transition metal-boron and iron-carbon particles and their magnetic properties. Nanometer-sized particles of both crystalline and amorphous magnetic materials...... are superparamagnetic at finite temperatures. The temperature dependence of the superparamagnetic relaxation time and the influence of inter-particle interactions is discussed. Finally, some examples of studies of surface magnetization of alpha-Fe particles are presented....

  4. Powder Processing of Amorphous Tungsten-bearing Alloys and Composites

    Science.gov (United States)

    2015-03-01

    8725 John J. Kingman Road, MS-6201 Fort Belvoir, VA 22060-6201 T E C H N IC A L R E P O R T DTRA-TR-14-73 Powder Processing of Amorphous Tungsten ...Technology, Boise State University, Army Research Laboratory Project Title: Powder Processing of Amorphous Tungsten -bearing Alloys and Composites...strength, we made them better suited to study the mechanical alloying of tungsten -transition metal couples in which interdiffusion during mechanical

  5. Characterizing the Phyllosilicates and Amorphous Phases Found by MSL Using Laboratory XRD and EGA Measurements of Natural and Synthetic Materials

    Science.gov (United States)

    Rampe, Elizabeth B.; Morris, Richard V.; Chipera, Steve; Bish, David L.; Bristow, Thomas; Archer, Paul Douglas; Blake, David; Achilles, Cherie; Ming, Douglas W.; Vaniman, David; hide

    2013-01-01

    The Curiosity Rover landed on the Peace Vallis alluvial fan in Gale crater on August 5, 2012. A primary mission science objective is to search for past habitable environments, and, in particular, to assess the role of past water. Identifying the minerals and mineraloids that result from aqueous alteration at Gale crater is essential for understanding past aqueous processes at the MSL landing site and hence for interpreting the site's potential habitability. X-ray diffraction (XRD) data from the CheMin instrument and evolved gas analyses (EGA) from the SAM instrument have helped the MSL science team identify phases that resulted from aqueous processes: phyllosilicates and amorphous phases were measure in two drill samples (John Klein and Cumberland) obtained from the Sheepbed Member, Yellowknife Bay Fm., which is believed to represent a fluvial-lacustrine environment. A third set of analyses was obtained from scoop samples from the Rocknest sand shadow. Chemical data from the APXS instrument have helped constrain the chemical compositions of these secondary phases and suggest that the phyllosilicate component is Mg-enriched and the amorphous component is Fe-enriched, relatively Si-poor, and S- and H-bearing. To refine the phyllosilicate and amorphous components in the samples measured by MSL, we measured XRD and EGA data for a variety of relevant natural terrestrial phyllosilicates and synthetic mineraloids in laboratory testbeds of the CheMin and SAM instruments. Specifically, Mg-saturated smectites and vermiculites were measured with XRD at low relative humidity to understand the behavior of the 001 reflections under Mars-like conditions. Our laboratory XRD measurements suggest that interlayer cation composition affects the hydration state of swelling clays at low RH and, thus, the 001 peak positions. XRD patterns of synthetic amorphous materials, including allophane, ferrihydrite, and hisingerite were used in full-pattern fitting (FULLPAT) models to help

  6. Variable-amplitude oscillatory shear response of amorphous materials

    Science.gov (United States)

    Perchikov, Nathan; Bouchbinder, Eran

    2014-06-01

    Variable-amplitude oscillatory shear tests are emerging as powerful tools to investigate and quantify the nonlinear rheology of amorphous solids, complex fluids, and biological materials. Quite a few recent experimental and atomistic simulation studies demonstrated that at low shear amplitudes, an amorphous solid settles into an amplitude- and initial-conditions-dependent dissipative limit cycle, in which back-and-forth localized particle rearrangements periodically bring the system to the same state. At sufficiently large shear amplitudes, the amorphous system loses memory of the initial conditions, exhibits chaotic particle motions accompanied by diffusive behavior, and settles into a stochastic steady state. The two regimes are separated by a transition amplitude, possibly characterized by some critical-like features. Here we argue that these observations support some of the physical assumptions embodied in the nonequilibrium thermodynamic, internal-variables based, shear-transformation-zone model of amorphous viscoplasticity; most notably that "flow defects" in amorphous solids are characterized by internal states between which they can make transitions, and that structural evolution is driven by dissipation associated with plastic deformation. We present a rather extensive theoretical analysis of the thermodynamic shear-transformation-zone model for a variable-amplitude oscillatory shear protocol, highlighting its success in accounting for various experimental and simulational observations, as well as its limitations. Our results offer a continuum-level theoretical framework for interpreting the variable-amplitude oscillatory shear response of amorphous solids and may promote additional developments.

  7. Nanostructured amorphous nickel oxide with enhanced antioxidant activity

    Energy Technology Data Exchange (ETDEWEB)

    Madhu, G. [Department of Physics, University of Kerala, Kariavattom Campus, Thiruvananthapuram, Kerala 695581 (India); Department of Physics, University College, Thiruvananthapuram, Kerala 695034 (India); Biju, V., E-mail: bijunano@gmail.com [Department of Physics, University of Kerala, Kariavattom Campus, Thiruvananthapuram, Kerala 695581 (India)

    2015-07-15

    Highlights: • Synthesis of nanostructured amorphous nickel oxide by a facile chemical route. • Enhanced antioxidant activity of amorphous NiO compared to crystalline samples. • Role of O{sup 2−} vacancies and high specific surface area in antioxidant activity. • Use of DC conductivity, XPS and BET to explain enhanced antioxidant activity. - Abstract: Nanostructured amorphous nickel oxide was synthesized by the thermal decomposition of nickel chloride–ethanol amine complex. The X-ray diffraction and Transmission Electron Microscopic studies established the amorphous nature of the sample. The Fourier Transform Infrared, Scanning Electron Microscopy, Energy Dispersive and X-ray Photoelectron Spectroscopic studies of the sample revealed the formation of NiO. The specific surface area of the sample is measured using Brunauer–Emmett–Teller analysis and the mesoporous nature of the sample is established through Barrett–Joyner–Halenda pore size distribution analysis. The antioxidant activity of the amorphous sample measured by 1,1-diphenyl-2-picryl hydrazyl (DPPH) scavenging is found to be nearly twice greater than that reported for nanocrystalline NiO samples. The estimated radical scavenging activity of the sample is correlated with the DC conductivity values measured in vacuum and air ambience. The enhanced antioxidant activity of the amorphous NiO is accounted by the increase in the concentration of O{sup 2−} vacancies and the specific surface area. The Ni 2p and O 1s X-ray Photoelectron Spectroscopic studies of the sample support the inference.

  8. Measurement of low amounts of amorphous content in hydrophobic active pharmaceutical ingredients with dynamic organic vapor sorption.

    Science.gov (United States)

    Müller, Thorsten; Schiewe, Jörg; Smal, Rüdiger; Weiler, Claudius; Wolkenhauer, Markus; Steckel, Hartwig

    2015-05-01

    Today, a variety of devices for dry powder inhalers (DPIs) is available and many different formulations for optimized deposition in the lung are developed. However, during the production of powder inhalers, processing steps may induce changes to both, the carrier and active pharmaceutical ingredients (APIs). It is well known that standard pharmaceutical operations may lead to structural changes, crystal defects and amorphous regions. Especially operations such as milling, blending and even sieving generate these effects. These disorders may induce re-crystallization and particle size changes post-production which have a huge influence on drug delivery and product stability. In this study, pilot tests with a polar solvent (water) and hydrophilic drug (Salbutamol sulfate) were performed to receive a first impression on further possible implementation of hydrophobic samples with organic solvents. Thereafter, a reliable method for the accurate detection of low amounts of amorphous content is described up to a limit of quantification (LOQ) of 0.5% for a hydrophobic model API (Ciclesonide). The organic vapor sorption method which is a gravimetric method quantifies exactly these low amounts of amorphous content in the hydrophobic powder once the suitable solvent (isopropanol), the correct p/p0 value (0.1) and the exact temperature (25°C) have been found. Afterward it was possible to quantitate low amorphous amounts in jet-milled powders (0.5-17.0%). In summary, the data of the study led to a clearer understanding in what quantity amorphous parts were generated in single production steps and how variable these parts behave to fully crystalline material. Nevertheless it showed how difficult it was to re-crystallize hydrophobic material with water vapor over a short period. For the individual samples it was possible to determine the single humidity at which the material starts to re-crystallize, the behavior against different nonpolar solvents and the calculation of the

  9. Amino acids as co-amorphous excipients for simvastatin and glibenclamide

    DEFF Research Database (Denmark)

    Laitinen, Riikka; Löbmann, Korbinian; Grohganz, Holger

    2014-01-01

    to a few drugs and amino acids. To facilitate the rational selection of amino acids, the practical importance of the amino acid coming from the biological target site of the drug (and associated intermolecular interactions) needs to be established. In the present study, the formation of co......-amorphous systems using cryomilling and combinations of two poorly water-soluble drugs (simvastatin and glibenclamide) with the amino acids aspartic acid, lysine, serine, and threonine was investigated. Solid-state characterization with X-ray powder diffraction, differential scanning calorimetry, and Fourier...

  10. Distinct Properties of Nanofibrous Amorphous Ice

    Directory of Open Access Journals (Sweden)

    Fanyi Cai

    2014-11-01

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

  11. Amorphous solid dispersions of piroxicam and Soluplus(®): Qualitative and quantitative analysis of piroxicam recrystallization during storage.

    Science.gov (United States)

    Lust, Andres; Strachan, Clare J; Veski, Peep; Aaltonen, Jaakko; Heinämäki, Jyrki; Yliruusi, Jouko; Kogermann, Karin

    2015-01-01

    The conversion of active pharmaceutical ingredient (API) from amorphous to crystalline form is the primary stability issue in formulating amorphous solid dispersions (SDs). The aim of the present study was to carry out qualitative and quantitative analysis of the physical solid-state stability of the SDs of poorly water-soluble piroxicam (PRX) and polyvinyl caprolactam-polyvinyl acetate-polyethylene-glycol graft copolymer (Soluplus(®)). The SDs were prepared by a solvent evaporation method and stored for six months at 0% RH/6 °C, 0% RH/25 °C, 40% RH/25 °C and 75% RH/25 °C. Fourier transform infrared spectroscopy equipped with attenuated total reflection accessory (ATR-FTIR) and Raman spectroscopy were used for characterizing the physical solid-state changes and drug-polymer interactions. The principal component analysis (PCA) and multivariate curve resolution alternating least squares (MCR-ALS) were used for the qualitative and quantitative analysis of Raman spectra collected during storage. When stored at 0% RH/6 °C and at 0% RH/25 °C, PRX in SDs remained in an amorphous form since no recrystallization was observed by ATR-FTIR and Raman spectroscopy. Raman spectroscopy coupled with PCA and MCR-ALS and ATR-FTIR spectroscopy enabled to detect the recrystallization of amorphous PRX in the samples stored at higher humidity.

  12. Behavior in Wet Atmosphere of an Amorphous Calcium Phosphate with an Atomic Ca/P Ratio of 1.33

    Science.gov (United States)

    Rodrigues, A.; Lebugle, A.

    1999-12-01

    This study deals with the behavior, in a wet atmosphere at 40, 60, and 80°C, of an amorphous calcium phosphate with an atomic Ca/P ratio of 1.33. The wet atmosphere treatment leads to the formation of a thin film of water on the sample surface, allowing its maturation. At 40 and 60°C, the upper surface, rich in adsorbed water, crystallizes into triclinic OCP, a compound with structural water. The other deeper part leads to apatitic OCP. Whatever the temperature, both types of crystal decompose with time, in various stages, to finally lead to a mixture of hydroxyapatite and monetite.

  13. Near-edge elastic photon scattering in amorphous systems

    Energy Technology Data Exchange (ETDEWEB)

    Hugtenburg, R.P. [School of Physics and Astronomy, University of Birmingham, B15 2TT (United Kingdom); Queen Elizabeth Medical Centre, University Hospital Birmingham, B15 2TH (United Kingdom)], E-mail: r.p.hugtenburg@bham.ac.uk; England, D.W. [Queen Elizabeth Medical Centre, University Hospital Birmingham, B15 2TH (United Kingdom); Bradley, D.A. [Department of Physics, School of Electronics and Physical Sciences, University of Surrey, GU2 7XH (United Kingdom)

    2007-10-15

    The structure of valence and unoccupied electron orbitals and the neighbouring electron density distribution of atoms and ions in amorphous systems can be examined through use of resonance in the elastic photon scattering-cross-section in the vicinity of core atomic orbital energies. So-called anomalous X-ray scattering (AXS) is a mode of analysis that offers similar information to that of EXAFS but can be obtained concurrently with diffraction mode imaging. Of interest is whether the dilute-ion aqueous system provides an environment suitable for testing independent particle approximation (IPA) predictions. With the aqueous environment as the reference system for calibrating relative cross-sections, particular challenges include photons scattered by the medium being subsequently absorbed by the ion, limiting the thickness of the attenuating medium and motivating use of bright synchrotron photon sources where tunable X-rays are obtained at sub-eV resolution using a Si 111 monochromator. Measured scattering intensities and fluorescent yields were compared and shown to agree qualitatively with Monte Carlo calculations utilising amplitudes calculated from modified form-factors with anomalous scatter factors at a resolution of several eV determined from the Dirac-Slater exchange potential. Experimentally determined form-factors for pure water were used to calibrate fluorescent yield and elastic scattering intensities for measurement of the energy dependent variation of these quantities near edge and XRF imaging of the Zn concentration in wax mounted, formalin fixed, breast tumour samples. Results indicate the distribution of Zn at higher resolution than sampling dimensions used in previous studies. Shifts in the position and profile of K-edge absorption and elastic scattering features in aqeuous Zn, Zn doped sol-gel glass and Zn in tissue are shown to reflect changes in the atomic charge state and environment and offer support for the presence of non-nutrient Zn bearing

  14. Near-edge elastic photon scattering in amorphous systems

    Science.gov (United States)

    Hugtenburg, R. P.; England, D. W.; Bradley, D. A.

    2007-10-01

    The structure of valence and unoccupied electron orbitals and the neighbouring electron density distribution of atoms and ions in amorphous systems can be examined through use of resonance in the elastic photon scattering-cross-section in the vicinity of core atomic orbital energies. So-called anomalous X-ray scattering (AXS) is a mode of analysis that offers similar information to that of EXAFS but can be obtained concurrently with diffraction mode imaging. Of interest is whether the dilute-ion aqueous system provides an environment suitable for testing independent particle approximation (IPA) predictions. With the aqueous environment as the reference system for calibrating relative cross-sections, particular challenges include photons scattered by the medium being subsequently absorbed by the ion, limiting the thickness of the attenuating medium and motivating use of bright synchrotron photon sources where tunable X-rays are obtained at sub-eV resolution using a Si 111 monochromator. Measured scattering intensities and fluorescent yields were compared and shown to agree qualitatively with Monte Carlo calculations utilising amplitudes calculated from modified form-factors with anomalous scatter factors at a resolution of several eV determined from the Dirac-Slater exchange potential. Experimentally determined form-factors for pure water were used to calibrate fluorescent yield and elastic scattering intensities for measurement of the energy dependent variation of these quantities near edge and XRF imaging of the Zn concentration in wax mounted, formalin fixed, breast tumour samples. Results indicate the distribution of Zn at higher resolution than sampling dimensions used in previous studies. Shifts in the position and profile of K-edge absorption and elastic scattering features in aqeuous Zn, Zn doped sol-gel glass and Zn in tissue are shown to reflect changes in the atomic charge state and environment and offer support for the presence of non-nutrient Zn bearing

  15. Hydrogenation of Furfural to Furfuryl Alcohol over Co-B Amorphous Catalysts Prepared by Chemical Reduction in Variable Media

    Institute of Scientific and Technical Information of China (English)

    LI, Hui; CHAI, Wei-Mei; LUO, Hong-Shan; LI, He-Xing

    2006-01-01

    Five Co-B amorphous alloy catalysts were prepared by chemical reduction in different media, including pure water and pure ethanol as well as the mixture of ethanol and water with variable ethanol content. Their catalytic properties were evaluated using liquid phase furfural hydrogenation to furfuryl alcohol as the probe reaction. It was found that the reaction media had no significant influence on either the amorphous structure of the Co-B catalyst or the electronic interaction between metallic Co and alloying B. This could successfully account for the fact that all the as-prepared Co-B catalysts exhibited almost the same selectivity to furfuryl alcohol and the same activity per surface area ( RSH ), which could be considered as the intrinsic activity, since the nature of active sites remained unchanged. However, the activity per gram of Co ( RmH ) of the as-prepared Co-B catalysts increased rapidly when the ethanol content in the water-ethanol mixture used as the reaction medium for catalyst preparation increased. This could be attributed to the rapid increase in the surface area possibly owing to the presence of more oxidized boron species which could serve as a support for dispersing the Co-B amorphous alloy particles.

  16. Health hazards due to the inhalation of amorphous silica

    Energy Technology Data Exchange (ETDEWEB)

    Merget, R.; Bruening, T. [Research Institute for Occupational Medicine (BGFA), Bochum (Germany); Bauer, T. [Bergmannsheil, University Hospital, Department of Internal Medicine, Division of Pneumonology, Allergology and Sleep Medicine, Bochum (Germany); Kuepper, H.U.; Breitstadt, R. [Degussa-Huels Corp., Wesseling (Germany); Philippou, S. [Department of Pathology, Augusta Krankenanstalten, Bochum (Germany); Bauer, H.D. [Research Institute for Hazardous Substances (IGF), Bochum (Germany)

    2002-01-01

    Occupational exposure to crystalline silica dust is associated with an increased risk for pulmonary diseases such as silicosis, tuberculosis, chronic bronchitis, chronic obstructive pulmonary disease (COPD) and lung cancer. This review summarizes the current knowledge about the health effects of amorphous (non-crystalline) forms of silica. The major problem in the assessment of health effects of amorphous silica is its contamination with crystalline silica. This applies particularly to well-documented pneumoconiosis among diatomaceous earth workers. Intentionally manufactured synthetic amorphous silicas are without contamination of crystalline silica. These synthetic forms may be classified as (1) wet process silica, (2) pyrogenic (''thermal'' or ''fumed'') silica, and (3) chemically or physically modified silica. According to the different physico-chemical properties, the major classes of synthetic amorphous silica are used in a variety of products, e.g. as fillers in the rubber industry, in tyre compounds, as free-flow and anti-caking agents in powder materials, and as liquid carriers, particularly in the manufacture of animal feed and agrochemicals; other uses are found in toothpaste additives, paints, silicon rubber, insulation material, liquid systems in coatings, adhesives, printing inks, plastisol car undercoats, and cosmetics. Animal inhalation studies with intentionally manufactured synthetic amorphous silica showed at least partially reversible inflammation, granuloma formation and emphysema, but no progressive fibrosis of the lungs. Epidemiological studies do not support the hypothesis that amorphous silicas have any relevant potential to induce fibrosis in workers with high occupational exposure to these substances, although one study disclosed four cases with silicosis among subjects exposed to apparently non-contaminated amorphous silica. Since the data have been limited, a risk of chronic bronchitis, COPD or

  17. Two-phase electrochemical lithiation in amorphous silicon.

    Science.gov (United States)

    Wang, Jiang Wei; He, Yu; Fan, Feifei; Liu, Xiao Hua; Xia, Shuman; Liu, Yang; Harris, C Thomas; Li, Hong; Huang, Jian Yu; Mao, Scott X; Zhu, Ting

    2013-02-13

    Lithium-ion batteries have revolutionized portable electronics and will be a key to electrifying transport vehicles and delivering renewable electricity. Amorphous silicon (a-Si) is being intensively studied as a high-capacity anode material for next-generation lithium-ion batteries. Its lithiation has been widely thought to occur through a single-phase mechanism with gentle Li profiles, thus offering a significant potential for mitigating pulverization and capacity fade. Here, we discover a surprising two-phase process of electrochemical lithiation in a-Si by using in situ transmission electron microscopy. The lithiation occurs by the movement of a sharp phase boundary between the a-Si reactant and an amorphous Li(x)Si (a-Li(x)Si, x ~ 2.5) product. Such a striking amorphous-amorphous interface exists until the remaining a-Si is consumed. Then a second step of lithiation sets in without a visible interface, resulting in the final product of a-Li(x)Si (x ~ 3.75). We show that the two-phase lithiation can be the fundamental mechanism underpinning the anomalous morphological change of microfabricated a-Si electrodes, i.e., from a disk shape to a dome shape. Our results represent a significant step toward the understanding of the electrochemically driven reaction and degradation in amorphous materials, which is critical to the development of microstructurally stable electrodes for high-performance lithium-ion batteries.

  18. Electroplating process of amorphous Fe-Ni-Cr alloy

    Institute of Scientific and Technical Information of China (English)

    何湘柱; 夏畅斌; 王红军; 龚竹清; 蒋汉瀛

    2001-01-01

    A novel process of electroplating amorphous Fe-Cr-Ni alloy in chloride aqueous solution with Fe( Ⅱ ), Ni ( lⅡ ) and Cr( Ⅲ ) was reported. Couple plasma atomic emission spectrometry (ICP-AES), X-ray diffractometry(XRD),scanning electronic microscopy(SEM), microhardness test and rapid heating-cooling method were adopted to detect the properties of the amorphous Fe-Ni-Cr deposit, such as composition, crystalline structure, micrograph, hardness, and adherence between deposit and substrate. The effects of the operating parameters on the electrodeposit of the amorphous FeNi-Cr alloy were discussed in detail. The results show that a 8.7 μm thick mirror-like amorphous Fe-Ni-Cr alloy deposit,with Vicker's hardness of 530 and composition of 45%~55% Fe, 33%~37% Ni, 9%~23% Cr was obtained by electroplating for 20 min at room temperature( 10 30 C ), cathode current 10~16 A/dm2, pH = 1.0~3.0. The XRD pat terns show that there only appears a broad hump around 2θ of 41 °~47 °for the amorphous Fe-Ni-Cr alloy deposit, while the SEM micrographs show that the deposit contains only a few fine cracks but no pinholes.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-10-15

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

  20. Comprehensive modeling of ion-implant amorphization in silicon

    Energy Technology Data Exchange (ETDEWEB)

    Mok, K.R.C. [Departamento de E. y Electronica, Universidad de Valladolid, ETSIT Campus Miguel Delibes, 47011 Valladolid (Spain) and Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117576 (Singapore)]. E-mail: g0202446@nus.edu.sg; Jaraiz, M. [Departamento de E. y Electronica, Universidad de Valladolid, ETSIT Campus Miguel Delibes, 47011 Valladolid (Spain); Martin-Bragado, I. [Departamento de E. y Electronica, Universidad de Valladolid, ETSIT Campus Miguel Delibes, 47011 Valladolid (Spain); Synopsys, Karl-Hammerschmidt Strasse 34, D-85609 Aschheim/Dornach (Germany); Rubio, J.E. [Departamento de E. y Electronica, Universidad de Valladolid, ETSIT Campus Miguel Delibes, 47011 Valladolid (Spain); Castrillo, P. [Departamento de E. y Electronica, Universidad de Valladolid, ETSIT Campus Miguel Delibes, 47011 Valladolid (Spain); Pinacho, R. [Departamento de E. y Electronica, Universidad de Valladolid, ETSIT Campus Miguel Delibes, 47011 Valladolid (Spain); Srinivasan, M.P. [Department of Chemical and Biomolecular Engineering, National University of Singapore, 4 Engineering Drive 4, Singapore 117576 (Singapore); Benistant, F. [Chartered Semiconductor Manufacturing. 60 Woodlands Industrial Park D, Street 2, Singapore 738406 (Singapore)

    2005-12-05

    A physically based model has been developed to simulate the ion-implant induced damage accumulation up to amorphization in silicon. Based on damage structures known as amorphous pockets (AP), which are three-dimensional, irregularly shaped agglomerates of interstitials (I) and vacancies (V) surrounded by crystalline silicon, the model is able to reproduce a wide range of experimental observations of damage accumulation and amorphization with interdependent implantation parameters. Instead of recrystallizing the I's and V's instantaneously, the recrystallization rate of an AP containing nI and mV is a function of its effective size, defined as min(n, m), irrespective of its internal spatial configuration. The parameters used in the model were calibrated using the experimental silicon amorphous-crystalline transition temperature as a function of dose rate for C, Si, and Ge. The model is able to show the superlinear damage build-up with dose, the extent of amorphous layer and the superadditivity effect of polyatomic ions.

  1. Devitrification of rapidly quenched Al–Cu–Ti amorphous alloys

    Indian Academy of Sciences (India)

    D K Misra; R S Tiwari; O N Srivastava

    2003-08-01

    X-ray diffraction, transmission electron microscopy and differential scanning calorimetry were carried out to study the transformation from amorphous to icosahedral/crystalline phases in the rapidly quenched Al50Cu45Ti5 and Al45Cu45Ti10 alloys. In the present investigation, we have studied the formation and stability of amorphous phase in Al50Cu45Ti5 and Al45Cu45Ti10 rapidly quenched alloys. The DSC curve shows a broad complex type of exothermic overlapping peaks (288–550°C) for Al50Cu45Ti5 and a well defined peak around 373°C for Al45Cu45Ti10 alloy. In the case of Al50Cu45Ti5 alloy amorphous to icosahedral phase transformation has been observed after annealing at 280°C for 73 h. Large dendritic growth of icosahedral phase along with -Al phase has been found. Annealing of Al50Cu45Ti5 alloy at 400°C for 8 h results in formation of Al3Ti type phase. Al45Cu45Ti10 amorphous alloy is more stable in comparison to Al50Cu45Ti5 alloy and after annealing at 400°C for 8 h it also transforms to Al3Ti type phase. However, this alloy does not show amorphous to icosahedral phase transformation.

  2. Parametrized dielectric functions of amorphous GeSn alloys

    Energy Technology Data Exchange (ETDEWEB)

    D' Costa, Vijay Richard, E-mail: elevrd@nus.edu.sg; Wang, Wei; Yeo, Yee-Chia, E-mail: eleyeoyc@nus.edu.sg [Department of Electrical and Computer Engineering, National University of Singapore, Singapore 117583 (Singapore); Schmidt, Daniel [Singapore Synchrotron Light Source, National University of Singapore, Singapore 117603 (Singapore)

    2015-09-28

    We obtained the complex dielectric function of amorphous Ge{sub 1−x}Sn{sub x} (0 ≤ x ≤ 0.07) alloys using spectroscopic ellipsometry from 0.4 to 4.5 eV. Amorphous GeSn films were formed by room-temperature implantation of phosphorus into crystalline GeSn alloys grown by molecular beam epitaxy. The optical response of amorphous GeSn alloys is similar to amorphous Ge and can be parametrized using a Kramers-Kronig consistent Cody-Lorentz dispersion model. The parametric model was extended to account for the dielectric functions of amorphous Ge{sub 0.75}Sn{sub 0.25} and Ge{sub 0.50}Sn{sub 0.50} alloys from literature. The compositional dependence of band gap energy E{sub g} and parameters associated with the Lorentzian oscillator have been determined. The behavior of these parameters with varying x can be understood in terms of the alloying effect of Sn on Ge.

  3. Amorphous metal distribution transformers: The energy-efficient alternative

    Energy Technology Data Exchange (ETDEWEB)

    Garrity, T.F. [GE Power Systems, Schenectady, NY (United States)

    1994-12-31

    Amorphous metal distribution transformers have been commercially available for the past 13 years. During that time, they have realized the promise of exceptionally high core efficiency as compared to silicon steel transformer cores. Utility planners today must consider all options available to meet the requirements of load growth. While additional generation capacity will be added, many demand-side initiatives are being undertaken as complementary programs to generation expansion. The efficiency improvement provided by amorphous metal distribution transformers deserves to be among the demand-side options. The key to understanding the positive impact of amorphous metal transformer efficiency is to consider the aggregate contribution those transformers can make towards demand reduction. It is estimated that distribution transformer core losses comprise at least 1% of the utility`s peak demand. Because core losses are continuous, any significant reduction in their magnitude is of great significance to the planner. This paper describes the system-wide economic contributions amorphous metal distribution transformers can make to a utility and suggests evaluation techniques that can be used. As a conservation tool, the amorphous metal transformer contributes to reduced power plant emissions. Calibration of those emissions reductions is also discussed in the paper.

  4. Amorphous computing in the presence of stochastic disturbances.

    Science.gov (United States)

    Chu, Dominique; Barnes, David J; Perkins, Samuel

    2014-11-01

    Amorphous computing is a non-standard computing paradigm that relies on massively parallel execution of computer code by a large number of small, spatially distributed, weakly interacting processing units. Over the last decade or so, amorphous computing has attracted a great deal of interest both as an alternative model of computing and as an inspiration to understand developmental biology. A number of algorithms have been developed that can take advantage of the massive parallelism of this computing paradigm to solve specific problems. One of the interesting properties of amorphous computers is that they are robust with respect to the loss of individual processing units, in the sense that a removal of some of them should not impact on the computation as a whole. However, much less understood is to what extent amorphous computers are robust with respect to minor disturbances to the individual processing units, such as random motion or occasional faulty computation short of total component failure. In this article we address this question. As an example problem we choose an algorithm to calculate a straight line between two points. Using this example, we find that amorphous computers are not in general robust with respect to Brownian motion and noise, but we find strategies that restore reliable computation even in their presence. We will argue that these strategies are generally applicable and not specific to the particular AC we consider, or even specific to electronic computers.

  5. Thermodynamics, molecular mobility and crystallization kinetics of amorphous griseofulvin.

    Science.gov (United States)

    Zhou, Deliang; Zhang, Geoff G Z; Law, Devalina; Grant, David J W; Schmitt, Eric A

    2008-01-01

    Griseofulvin is a small rigid molecule that shows relatively high molecular mobility and small configurational entropy in the amorphous phase and tends to readily crystallize from both rubbery and glassy states. This work examines the crystallization kinetics and mechanism of amorphous griseofulvin and the quantitative correlation between the rate of crystallization and molecular mobility above and below Tg. Amorphous griseofulvin was prepared by rapidly quenching the melt in liquid N2. The thermodynamics and dynamics of amorphous phase were then characterized using a combination of thermal analysis techniques. After characterization of the amorphous phase, crystallization kinetics above Tg were monitored by isothermal differential scanning calorimetry (DSC). Transformation curves for crystallization fit a second-order John-Mehl-Avrami (JMA) model. Crystallization kinetics below Tg were monitored by powder X-ray diffraction and fit to the second-order JMA model. Activation energies for crystallization were markedly different above and below Tg suggesting a change in mechanism. In both cases molecular mobility appeared to be partially involved in the rate-limiting step for crystallization, but the extent of correlation between the rate of crystallization and molecular mobility was different above and below Tg. A lower extent of correlation below Tg was observed which does not appear to be explained by the molecular mobility alone and the diminishing activation energy for crystallization suggests a change in the mechanism of crystallization.

  6. 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.

  7. Spectroscopic Analysis of Amorphous Structure in Fluorinated Polymers

    Science.gov (United States)

    Hsu, Shaw L.; Yang, Yuning; Ramalingam, Suriyakala

    2008-03-01

    High-quality polarized Raman spectra have been obtained for various poly(vinylidene fluoride) (PVDF) structures, crystalline and amorphous. These data encouraged us to revisit the Raman band assignment, especially within the conformational sensitive region (400-1100 cm-1) and use the new understanding to characterize the amorphous region. Vibrational bands have been assigned on the basis of observed polarization characteristics and the calculated potential energy distribution (PED). The simulated results agree well with the experimental polarized Raman study. On the basis of the calculated PED, combined with simulation of different conformational sequences (tttt, tttg, tgtg', tggg, gggg), spectroscopic features (band intensity at 648 cm-1 and the frequency change of the 856 cm-1 band) were associated with the distribution of rotational isomeric states. Two rotational isomeric state (RIS) models were analyzed and compared in the simulation study of the amorphous state. On the basis of the spectroscopic features of experimental and simulated Raman spectra, the conclusion was reached that the model which predicts a higher gauche population more accurately describes the amorphous state. This analysis provides an opportunity to describe the amorphous state in a quantitative manner.

  8. 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.

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

    DEFF Research Database (Denmark)

    Yildirim, Can; Micoulaut, Matthieu; Boolchand, Punit

    2016-01-01

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

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

    Science.gov (United States)

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

    2017-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  12. Thermoanalytical and Fourier transform infrared spectral curve-fitting techniques used to investigate the amorphous indomethacin formation and its physical stability in Indomethacin-Soluplus® solid dispersions.

    Science.gov (United States)

    Lin, Shan-Yang; Lin, Hong-Liang; Chi, Ying-Ting; Huang, Yu-Ting; Kao, Chi-Yu; Hsieh, Wei-Hsien

    2015-12-30

    The amorphous form of a drug has higher water solubility and faster dissolution rate than its crystalline form. However, the amorphous form is less thermodynamically stable and may recrystallize during manufacturing and storage. Maintaining the amorphous state of drug in a solid dosage form is extremely important to ensure product quality. The purpose of this study was to quantitatively determine the amount of amorphous indomethacin (INDO) formed in the Soluplus® solid dispersions using thermoanalytical and Fourier transform infrared (FTIR) spectral curve-fitting techniques. The INDO/Soluplus® solid dispersions with various weight ratios of both components were prepared by air-drying and heat-drying processes. A predominate IR peak at 1683cm(-1) for amorphous INDO was selected as a marker for monitoring the solid state of INDO in the INDO/Soluplus® solid dispersions. The physical stability of amorphous INDO in the INDO/Soluplus® solid dispersions prepared by both drying processes was also studied under accelerated conditions. A typical endothermic peak at 161°C for γ-form of INDO (γ-INDO) disappeared from all the differential scanning calorimetry (DSC) curves of INDO/Soluplus® solid dispersions, suggesting the amorphization of INDO caused by Soluplus® after drying. In addition, two unique IR peaks at 1682 (1681) and 1593 (1591)cm(-1) corresponded to the amorphous form of INDO were observed in the FTIR spectra of all the INDO/Soluplus® solid dispersions. The quantitative amounts of amorphous INDO formed in all the INDO/Soluplus® solid dispersions were increased with the increase of γ-INDO loaded into the INDO/Soluplus® solid dispersions by applying curve-fitting technique. However, the intermolecular hydrogen bonding interaction between Soluplus® and INDO were only observed in the samples prepared by heat-drying process, due to a marked spectral shift from 1636 to 1628cm(-1) in the INDO/Soluplus® solid dispersions. The INDO/Soluplus® solid

  13. Encapsulation of tea tree oil by amorphous beta-cyclodextrin powder.

    Science.gov (United States)

    Shrestha, Meena; Ho, Thao M; Bhandari, Bhesh R

    2017-04-15

    An innovative method to encapsulate tea tree oil (TTO) by direct complexation with solid amorphous beta-cyclodextrin (β-CD) was investigated. A β-CD to TTO ratio of 90.5:9.5 (104.9mg TTO/g β-CD) was used in all complexation methods. The encapsulation was performed by direct mixing, and direct mixing was followed by the addition of water (13-17% moisture content, MC) or absolute ethanol (1:1, 1:2, 1:3 and 1:4 TTO:ethanol). The direct mixing method complexed the lowest amount of TTO (60.77mg TTO/g β-CD). Powder recrystallized using 17% MC included 99.63mg of TTO/g β-CD. The addition of ethanol at 1:2 and 1:3 TTO:ethanol ratios resulted in the inclusion of 94.3 and 98.45mg of TTO/g β-CD respectively, which was similar to that of TTO encapsulated in the conventional paste method (95.56mg TTO/g β-CD), suggesting an effective solid encapsulation method. The XRD and DSC results indicated that the amorphous TTO-β-CD complex was crystallized by the addition of water and ethanol.

  14. Dextran-coated superparamagnetic amorphous Fe–Co nanoalloy for magnetic resonance imaging applications

    Energy Technology Data Exchange (ETDEWEB)

    An, Lu; Yu, Yanrong; Li, Xuejian; Liu, Wei [The Key Laboratory of Resource Chemistry of Ministry of Education and Shanghai Key Laboratory of Rare Earth Functional Materials, Department of Chemistry, Shanghai Normal University, Shanghai 200234 (China); Yang, Hong, E-mail: yanghong@shnu.edu.cn [The Key Laboratory of Resource Chemistry of Ministry of Education and Shanghai Key Laboratory of Rare Earth Functional Materials, Department of Chemistry, Shanghai Normal University, Shanghai 200234 (China); Wu, Dongmei [Shanghai Key Laboratory of Magnetic Resonance, Department of Physics, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062 (China); Yang, Shiping, E-mail: shipingy@shnu.edu.cn [The Key Laboratory of Resource Chemistry of Ministry of Education and Shanghai Key Laboratory of Rare Earth Functional Materials, Department of Chemistry, Shanghai Normal University, Shanghai 200234 (China)

    2014-01-01

    Graphical abstract: A dextran-coated Fe–Co nanoalloy was developed serving as a sensitive contrast agent for magnetic resonance imaging applications. - Highlights: • Amorphous Fe–Co nanoalloy was prepared via wet chemical reduction approach. • The Fe–Co nanoalloy is water-soluble, stable, and biocompatible. • The Fe–Co nanoalloy is superparamagnetic. • The Fe–Co nanoalloy exhibits T{sub 2}-weighted MR enhancement both in vitro and in vivo. - Abstract: For magnetic resonance imaging applications, a facile approach for water-soluble dextran coated amorphous Fe–Co nanoalloy was developed. The as-synthesized nanoalloy had a diameter of 9 nm with a narrow size distribution and showed superparamagnetic property with a saturated magnetization (Ms) of 25 emu/g. In vitro cytotoxicity test revealed that it was biocompatible at a concentration below 120 μg/mL. It can be uptaken by HeLa cells effectively and resulted in the obvious T{sub 2} effect after internalization. Biodistribution studies in conjunction with inductively coupled plasma-atomic emission spectroscopy (ICP-AES) confirmed that Fe–Co nanoalloy was preferentially accumulated in lung and spleen after intravenous injection for 4 h. In vivo MRI, dextran-coated Fe–Co nanoalloy can serve as a sensitive contrast agent for MR imaging, especially in the spleen, so we believe that it maybe hold great promise for diagnosis of splenic disease by appropriately functionalizing their surface.

  15. Influence of particle size and preparation methods on the physical and chemical stability of amorphous simvastatin

    DEFF Research Database (Denmark)

    Zhang, Fang; Aaltonen, Jaakko; Tian, Fang

    2009-01-01

    molecular mobility and higher chemical degradation than CM. Therefore, the current study demonstrated that QC and CM have obvious differences in both physical and chemical properties. It was concluded that care should be taken when choosing preparation methods for making amorphous materials. Furthermore......, particle size, a factor that has often been overlooked when dealing with amorphous materials, was shown to have an influence on physical stability of amorphous simvastatin.......This study investigated the factors influencing the stability of amorphous simvastatin. Quench-cooled amorphous simvastatin in two particle size ranges, 150-180 microm (QC-big) and amorphous simvastatin (CM) were prepared, and their physical and chemical...

  16. Chemical vapor deposition of amorphous ruthenium-phosphorus alloy films

    Energy Technology Data Exchange (ETDEWEB)

    Shin Jinhong [Texas Materials Institute, University of Texas at Austin, Austin, TX 78750 (United States); Waheed, Abdul [Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, TX 78712 (United States); Winkenwerder, Wyatt A. [Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78712 (United States); Kim, Hyun-Woo [Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78712 (United States); Agapiou, Kyriacos [Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, TX 78712 (United States); Jones, Richard A. [Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, TX 78712 (United States); Hwang, Gyeong S. [Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78712 (United States); Ekerdt, John G. [Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78712 (United States)]. E-mail: ekerdt@che.utexas.edu

    2007-05-07

    Chemical vapor deposition growth of amorphous ruthenium-phosphorus films on SiO{sub 2} containing {approx} 15% phosphorus is reported. cis-Ruthenium(II)dihydridotetrakis-(trimethylphosphine), cis-RuH{sub 2}(PMe{sub 3}){sub 4} (Me = CH{sub 3}) was used at growth temperatures ranging from 525 to 575 K. Both Ru and P are zero-valent. The films are metastable, becoming increasingly more polycrystalline upon annealing to 775 and 975 K. Surface studies illustrate that demethylation is quite efficient near 560 K. Precursor adsorption at 135 K or 210 K and heating reveal the precursor undergoes a complex decomposition process in which the hydride and trimethylphosphine ligands are lost at temperatures as low at 280 K. Phosphorus and its manner of incorporation appear responsible for the amorphous-like character. Molecular dynamics simulations are presented to suggest the local structure in the films and the causes for phosphorus stabilizing the amorphous phase.

  17. Robust edge states in amorphous gyromagnetic photonic lattices

    Science.gov (United States)

    Mansha, Shampy; Chong, Y. D.

    2017-09-01

    We numerically study amorphous analogs of a two-dimensional photonic Chern insulator. The amorphous lattices consist of gyromagnetic rods that break time-reversal symmetry, with the lattice sites generated by a close-packing algorithm. The level of short-range order is adjustable, and there is no long-range order. The topologically nontrivial gaps of the photonic Chern insulator are found to persist into the amorphous regime, so long as there is sufficient short-range order. Strongly nonreciprocal robust transmission occurs via edge states, which are shown to propagate ballistically despite the absence of long-range order, and to be exponentially localized along the lattice edge. Interestingly, there is an enhancement of nonreciprocal transmission even at very low levels of short-range order, where there are no discernible spectral gaps.

  18. Amorphization in Gd-Co alloys and multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, J.A. [Departamento de Fisica Teorica, Universidad de Valladolid, Valladolid (Spain); Hojvat de Tendler, R. [Instituto de Estudios Nucleares, Centro Atomico Ezeiza, CNEA, Buenos Aires (Argentina); Barbiric, D.A. [Departamento de Quimica Inorganica, Analitica y Quimica Fisica, Universidad de Buenos Aires, Buenos Aires (Argentina); Riveiro, J.M. [Departamento de Fisica Aplicada, Universidad de Castilla-La Mancha, Ciudad Real (Spain)

    2002-10-07

    A semiempirical model is used to analyse the results of published experiments reporting on the solid-state amorphization reactions in bilayers and multilayers formed by Gd and Co. The role of the interfacial effects in raising the free energy of the initial arrangement in a multilayered configuration, and in promoting the amorphization reaction, is studied in detail. The model explains the observation of amorphous alloys over a broad composition range in the bilayer experiments. The preferred composition obtained in the multilayer experiments is discussed critically and the model prediction of a preferred composition Gd{sub 0.46}Co{sub 0.54} is in good agreement with the compositions observed in recent experiments. (author)

  19. Features of exoelectron emission in amorphous metallic alloys

    CERN Document Server

    Veksler, A S; Morozov, I L; Semenov, A L

    2001-01-01

    The peculiarities of the photothermostimulated exoelectron emission in amorphous metallic alloys of the Fe sub 6 sub 4 Co sub 2 sub 1 B sub 1 sub 5 composition are studied. It is established that the temperature dependences of the exoelectron emission spectrum adequately reflect the two-stage character of the amorphous alloy transition into the crystalline state. The exoelectron emission spectrum is sensitive to the variations in the modes of the studied sample thermal treatment. The thermal treatment of the amorphous metallic alloy leads to growth in the intensity of the exoelectrons yield. The highest growth in the intensify of the exoelectron emission was observed in the alloys at the initial stage of their crystallization

  20. Plasma deposition of amorphous silicon-based materials

    CERN Document Server

    Bruno, Giovanni; Madan, Arun

    1995-01-01

    Semiconductors made from amorphous silicon have recently become important for their commercial applications in optical and electronic devices including FAX machines, solar cells, and liquid crystal displays. Plasma Deposition of Amorphous Silicon-Based Materials is a timely, comprehensive reference book written by leading authorities in the field. This volume links the fundamental growth kinetics involving complex plasma chemistry with the resulting semiconductor film properties and the subsequent effect on the performance of the electronic devices produced. Key Features * Focuses on the plasma chemistry of amorphous silicon-based materials * Links fundamental growth kinetics with the resulting semiconductor film properties and performance of electronic devices produced * Features an international group of contributors * Provides the first comprehensive coverage of the subject, from deposition technology to materials characterization to applications and implementation in state-of-the-art devices.

  1. Microwave response of amorphous microwires: magnetoimpedance and ferromagnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Dominguez, M. E-mail: manolo.dominguez@uca.es; Garcia-Beneytez, J.M.; Vazquez, M.; Lofland, S.E.; Bhagat, S.M

    2002-08-01

    It has been established that giant magnetoimpedance (GMI) in amorphous wires is due to a rapid change in the skin depth, caused by the low-field sensitivity of the azimuthal dynamic permeability (a classical electromagnetic effect). In 5 {mu}m diameter glass-covered amorphous wires, GMI may be observed at the microwave range. A correlation between GMI and ferromagnetic resonance (FMR) was proposed in this microwave range. We have measured the microwave response of amorphous microwires for several alloys from the system (Co{sub 100-x}Fe{sub x}){sub 75}Si{sub 15}B{sub 10} (x=2, 6, 10) with positive, zero, and negative magnetostriction, respectively. Our main results indicate: (i) GMI and FMR effects are well separated at different fields, (ii) GMI follows the magnetization process, confirming its classical electromagnetic origin, and (iii) FMR fields are also affected by the skin effect.

  2. Amorphous intergranular phases control the properties of rodent tooth enamel

    Science.gov (United States)

    Gordon, Lyle M.; Cohen, Michael J.; MacRenaris, Keith W.; Pasteris, Jill D.; Seda, Takele; Joester, Derk

    2015-02-01

    Dental enamel, a hierarchical material composed primarily of hydroxylapatite nanowires, is susceptible to degradation by plaque biofilm-derived acids. The solubility of enamel strongly depends on the presence of Mg2+, F-, and CO32-. However, determining the distribution of these minor ions is challenging. We show—using atom probe tomography, x-ray absorption spectroscopy, and correlative techniques—that in unpigmented rodent enamel, Mg2+ is predominantly present at grain boundaries as an intergranular phase of Mg-substituted amorphous calcium phosphate (Mg-ACP). In the pigmented enamel, a mixture of ferrihydrite and amorphous iron-calcium phosphate replaces the more soluble Mg-ACP, rendering it both harder and more resistant to acid attack. These results demonstrate the presence of enduring amorphous phases with a dramatic influence on the physical and chemical properties of the mature mineralized tissue.

  3. Amorphous and nanostructured silica and aluminosilicate spray-dried microspheres

    Science.gov (United States)

    Todea, M.; Turcu, R. V. F.; Frentiu, B.; Tamasan, M.; Mocuta, H.; Ponta, O.; Simon, S.

    2011-08-01

    Amorphous silica and aluminosilicate microspheres with diameters in the 0.1-20 μm range were produced by spray drying method. SEM, TEM and AFM images showed the spherical shape of the obtained particles. Based on thermal analysis data, several heat treatments have been applied on the as-prepared samples in order to check the amorphous state stability of the microspheres and to develop nanosized crystalline phases. As-prepared microspheres remain amorphous up to 1400 °C. By calcination at 1400 °C, cristobalite type nanocrystals are developed on silica sample, while in aluminosilicate sample first are developed mullite type nanocrystals and only after prolonged treatment are developed also cristobalite type nanocrystals. 29Si and 27Al MAS NMR results show that the local order around aluminum and silicon atoms strongly depend on the thermal history of the microspheres.

  4. Amorphous Alloy Membranes for High Temperature Hydrogen Separation

    Energy Technology Data Exchange (ETDEWEB)

    Coulter, K

    2013-09-30

    At the beginning of this project, thin film amorphous alloy membranes were considered a nascent but promising new technology for industrial-scale hydrogen gas separations from coal- derived syngas. This project used a combination of theoretical modeling, advanced physical vapor deposition fabricating, and laboratory and gasifier testing to develop amorphous alloy membranes that had the potential to meet Department of Energy (DOE) targets in the testing strategies outlined in the NETL Membrane Test Protocol. The project is complete with Southwest Research Institute® (SwRI®), Georgia Institute of Technology (GT), and Western Research Institute (WRI) having all operated independently and concurrently. GT studied the hydrogen transport properties of several amorphous alloys and found that ZrCu and ZrCuTi were the most promising candidates. GT also evaluated the hydrogen transport properties of V, Nb and Ta membranes coated with different transition-metal carbides (TMCs) (TM = Ti, Hf, Zr) catalytic layers by employing first-principles calculations together with statistical mechanics methods and determined that TiC was the most promising material to provide catalytic hydrogen dissociation. SwRI developed magnetron coating techniques to deposit a range of amorphous alloys onto both porous discs and tubular substrates. Unfortunately none of the amorphous alloys could be deposited without pinhole defects that undermined the selectivity of the membranes. WRI tested the thermal properties of the ZrCu and ZrNi alloys and found that under reducing environments the upper temperature limit of operation without recrystallization is ~250 °C. There were four publications generated from this project with two additional manuscripts in progress and six presentations were made at national and international technical conferences. The combination of the pinhole defects and the lack of high temperature stability make the theoretically identified most promising candidate amorphous alloys

  5. Amorphous surface layers in Ti-implanted Fe

    Energy Technology Data Exchange (ETDEWEB)

    Knapp, J.A.; Follstaedt, D.M.; Picraux, S.T.

    1979-01-01

    Implanting Ti into high-purity Fe results in an amorphous surface layer which is composed of not only Fe and Ti, but also C. Implantations were carried out at room temperature over the energy range 90 to 190 keV and fluence range 1 to 2 x 10/sup 16/ at/cm/sup 2/. The Ti-implanted Fe system has been characterized using transmission electron microscopy (TEM), ion backscattering and channeling analysis, and (d,p) nuclear reaction analysis. The amorphous layer was observed to form at the surface and grow inward with increasing Ti fluence. For an implant of 1 x 10/sup 17/ Ti/cm/sup 2/ at 180 keV the layer thickness was 150 A, while the measured range of the implanted Ti was approx. 550 A. This difference is due to the incorporation of C into the amorphous alloy by C being deposited on the surface during implantation and subsequently diffusing into the solid. Our results indicate that C is an essential constituent of the amorphous phase for Ti concentrations less than or equal to 10 at. %. For the 1 x 10/sup 17/ Ti/cm/sup 2/ implant, the concentration of C in the amorphous phase was approx. 25 at. %, while that of Ti was only approx. 3 at. %. A higher fluence implant of 2 x 10/sup 17/ Ti/cm/sup 2/ produced an amorphous layer with a lower C concentration of approx. 10 at. % and a Ti concentration of approx. 20 at. %.

  6. Molecular simulation of freestanding amorphous nickel thin films

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-10-31

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

  7. Stability and plasticizing and crystallization effects of vitamins in amorphous sugar systems.

    Science.gov (United States)

    Zhou, Yankun; Roos, Yrjö H

    2012-02-01

    Increased molecular mobility and structural changes resulting from water plasticization of glassy solids may lead to loss of the entrapped compounds from encapsulant systems. In the present study, the stability of water-soluble vitamins, vitamin B(1) (vB(1), thiamin hydrochloride) and vitamin C (vC, ascorbic acid), in freeze-dried lactose and trehalose at various water activities was studied. Water sorption of lactose-vB(1), lactose-vC, trehalose-vB(1), and trehalose-vC systems was determined gravimetrically. Glass transition and crystallization of anhydrous and plasticized sugar-vitamin systems were determined using thermal analysis. Critical water activity was calculated using water sorption and glass transition data. The retention of the vitamins was measured spectrophotometrically. The results showed that the amorphous structure protected the entrapped vitamins at low a(w). Crystallization of lactose accelerated vitamin degradation, whereas trehalose retained much higher amounts of the vitamins. Glass transition and critical water activity of solids and crystallization of component sugars should be considered in the stabilization of sensitive components.

  8. Shape anisotropy in zero-magnetostrictive rapidly solidified amorphous nanowires

    Science.gov (United States)

    Rotărescu, C.; Atitoaie, A.; Stoleriu, L.; Óvári, T.-A.; Lupu, N.; Chiriac, H.

    2016-04-01

    The magnetic behavior of zero-magnetostrictive rapidly solidified amorphous nanowires has been investigated in order to understand their magnetic bistability. The study has been performed both experimentally - based on inductive hysteresis loop measurements - and theoretically, by means of micromagnetic simulations. Experimental hysteresis loops have shown that the amorphous nanowires display an axial magnetic bistability, characterized by a single-step magnetization reversal when the applied field reaches a critical value called switching field. The simulated loops allowed us to understand the effect of shape anisotropy on coercivity. The results are key for understanding and controlling the magnetization processes in these novel nanowires, with important application possibilities in new miniaturized sensing devices.

  9. Nanoscale Morphology in Tensile Fracture of a Brittle Amorphous Ribbon

    Institute of Scientific and Technical Information of China (English)

    Xifeng LI; Kaifeng ZHANG; Guofeng WANG

    2008-01-01

    The paper reports on the observation of nanoscale morphology on the tensile fracture surface of a brittle amorphous Fe-based ribbon. The formation of nanoscale damage cavity structure is a main characteristic morphology on the fracture surfaces. Approaching the ribbon boundary, these damage cavities assemble and form the nanoscale periodic corrugations, which are neither Wallner lines nor crack front waves. The periodic corrugations result from the interactions between the reflected elastic waves by the boundaries of amorphous ribbon and the stress fields of the crack tip.

  10. Light-induced metastable structural changes in hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsche, H. [Univ. of Chicago, IL (United States)

    1996-09-01

    Light-induced defects (LID) in hydrogenated amorphous silicon (a-Si:H) and its alloys limit the ultimate efficiency of solar panels made with these materials. This paper reviews a variety of attempts to find the origin of and to eliminate the processes that give rise to LIDs. These attempts include novel deposition processes and the reduction of impurities. Material improvements achieved over the past decade are associated more with the material`s microstructure than with eliminating LIDs. We conclude that metastable LIDs are a natural by-product of structural changes which are generally associated with non-radiative electron-hole recombination in amorphous semiconductors.

  11. Amorphization of Molecular Liquids of Pharmaceutical Drugs by Acoustic Levitation

    Directory of Open Access Journals (Sweden)

    C. J. Benmore

    2011-08-01

    Full Text Available It is demonstrated that acoustic levitation is able to produce amorphous forms from a variety of organic molecular compounds with different glass forming abilities. This can lead to enhanced solubility for pharmaceutical applications. High-energy x-ray experiments show that several viscous gels form from saturated pharmaceutical drug solutions after 10–20 min of levitation at room temperature, most of which can be frozen in solid form. Laser heating of ultrasonically levitated drugs can also result in the vitrification of molecular liquids, which is not attainable using conventional amorphization methods.

  12. Angular magnetoresistance in semiconducting undoped amorphous carbon thin films

    Energy Technology Data Exchange (ETDEWEB)

    Sagar, Rizwan Ur Rehman; Saleemi, Awais Siddique; Zhang, Xiaozhong, E-mail: xzzhang@tsinghua.edu.cn [Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084, People' s Republic of China and Beijing National Center for Electron Microscopy, Beijing 100084 (China)

    2015-05-07

    Thin films of undoped amorphous carbon thin film were fabricated by using Chemical Vapor Deposition and their structure was investigated by using High Resolution Transmission Electron Microscopy and Raman Spectroscopy. Angular magnetoresistance (MR) has been observed for the first time in these undoped amorphous carbon thin films in temperature range of 2 ∼ 40 K. The maximum magnitude of angular MR was in the range of 9.5% ∼ 1.5% in 2 ∼ 40 K. The origin of this angular MR was also discussed.

  13. Band gap tuning of amorphous Al oxides by Zr alloying

    DEFF Research Database (Denmark)

    Canulescu, Stela; Jones, N. C.; Borca, C. N.

    2016-01-01

    The optical band gap and electronic structure of amorphous Al-Zr mixed oxides, with Zr content ranging from4.8 to 21.9% were determined using vacuum ultraviolet (VUV) and X-ray absorption spectroscopy (XAS). Thelight scattering by the nano-porous structure of alumina at low wavelengths was estima......The optical band gap and electronic structure of amorphous Al-Zr mixed oxides, with Zr content ranging from4.8 to 21.9% were determined using vacuum ultraviolet (VUV) and X-ray absorption spectroscopy (XAS). Thelight scattering by the nano-porous structure of alumina at low wavelengths...

  14. Shock-induced localized amorphization in boron carbide.

    Science.gov (United States)

    Chen, Mingwei; McCauley, James W; Hemker, Kevin J

    2003-03-01

    High-resolution electron microscope observations of shock-loaded boron carbide have revealed the formation of nanoscale intragranular amorphous bands that occur parallel to specific crystallographic planes and contiguously with apparent cleaved fracture surfaces. This damage mechanism explains the measured, but not previously understood, decrease in the ballistic performance of boron carbide at high impact rates and pressures. The formation of these amorphous bands is also an example of how shock loading can result in the synthesis of novel structures and materials with substantially altered properties.

  15. Correlating thermodynamic and kinetic parameters with amorphous stability

    DEFF Research Database (Denmark)

    Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel

    2009-01-01

    Poor physical stability is one of the single most important factors limiting the widespread use of the amorphous state in pharmaceutics. The purpose of this study is to move away from the case study approach by investigating thermodynamic and kinetic parameters as potential predictors of physical...... stability of amorphous drugs for a larger sample set (12 drugs). The relaxation time, fragility index and configurational thermodynamic properties (enthalpy, entropy and Gibbs free energy) were calculated and correlated to the actual stability behaviour, obtained for 12 drugs. Below the glass transition...

  16. Avalanche size scaling in sheared three-dimensional amorphous solid

    DEFF Research Database (Denmark)

    Bailey, Nicholas; Schiøtz, Jakob; Lemaître, A.

    2007-01-01

    We study the statistics of plastic rearrangement events in a simulated amorphous solid at T=0. Events are characterized by the energy release and the "slip volume", the product of plastic strain and system volume. Their distributions for a given system size L appear to be exponential, but a chara......We study the statistics of plastic rearrangement events in a simulated amorphous solid at T=0. Events are characterized by the energy release and the "slip volume", the product of plastic strain and system volume. Their distributions for a given system size L appear to be exponential...

  17. Containerless synthesis of amorphous and nanophase organic materials

    Energy Technology Data Exchange (ETDEWEB)

    Benmore, Chris J.; Weber, Johann R.

    2016-05-03

    The invention provides a method for producing a mixture of amorphous compounds, the method comprising supplying a solution containing the compounds; and allowing at least a portion of the solvent of the solution to evaporate while preventing the solute of the solution from contacting a nucleation point. Also provided is a method for transforming solids to amorphous material, the method comprising heating the solids in an environment to form a melt, wherein the environment contains no nucleation points; and cooling the melt in the environment.

  18. The Role of Configurational Entropy in Amorphous Systems

    Directory of Open Access Journals (Sweden)

    Kirsten A. Graeser

    2010-05-01

    Full Text Available Configurational entropy is an important parameter in amorphous systems. It is involved in the thermodynamic considerations, plays an important role in the molecular mobility calculations through its appearance in the Adam-Gibbs equation and provides information on the solubility increase of an amorphous form compared to its crystalline counterpart. This paper presents a calorimetric method which enables the scientist to quickly determine the values for the configurational entropy at any temperature and obtain the maximum of information from these measurements.

  19. Temperature distribution study in flash-annealed amorphous ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Moron, C. E-mail: cmoron@eui.upm.es; Garcia, A.; Carracedo, M.T

    2003-01-01

    Negative magnetrostrictive amorphous ribbons have been locally current annealed with currents from 1 to 8 A and annealing times from 14 ms to 200 s. In order to obtain information about the sample temperature during flash or current annealing, a study of the temperature dispersion during annealing in amorphous ribbons was made. The local temperature variation was obtained by measuring the local intensity of the infrared emission of the sample with a CCD liquid nitrogen cooled camera. A distribution of local temperature has been found in spite of the small dimension of the sample.

  20. Theory of amorphous packings of binary mixtures of hard spheres.

    Science.gov (United States)

    Biazzo, Indaco; Caltagirone, Francesco; Parisi, Giorgio; Zamponi, Francesco

    2009-05-15

    We extend our theory of amorphous packings of hard spheres to binary mixtures and more generally to multicomponent systems. The theory is based on the assumption that amorphous packings produced by typical experimental or numerical protocols can be identified with the infinite pressure limit of long-lived metastable glassy states. We test this assumption against numerical and experimental data and show that the theory correctly reproduces the variation with mixture composition of structural observables, such as the total packing fraction and the partial coordination numbers.

  1. 1/F Noise in Amorphous GeTe.

    Science.gov (United States)

    1976-06-18

    AD—A035 105 NAVAL SURFACE WEAPONS CEN TeR WHITE OAK LAB SILVER SP——ETC F/S 20/12 1/F NOISE IN AMORPHOUS IElt .(U) ani 76 K P SCHARNI4O*ST UNCLASSIFIED... preparation procedure had to be used. Six millimeter long sections of amorphous GeTe of different thicknesses and widths were deposited on 10 to 20 mil...structure and have initiated an effort to improve our sample preparation procedure. Exposure of samples to ambient during transfer from one evaporator

  2. Energy reversible switching from amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.

    2013-08-01

    We report observation of energy reversible switching from amorphous metal based nanoelectromechanical (NEM) switch. For ultra-low power electronics, NEM switches can be used as a complementary switching element in many nanoelectronic system applications. Its inherent zero power consumption because of mechanical detachment is an attractive feature. However, its operating voltage needs to be in the realm of 1 volt or lower. Appropriate design and lower Young\\'s modulus can contribute achieving lower operating voltage. Therefore, we have developed amorphous metal with low Young\\'s modulus and in this paper reporting the energy reversible switching from a laterally actuated double electrode NEM switch. © 2013 IEEE.

  3. Development of empirical potentials for amorphous silica

    Energy Technology Data Exchange (ETDEWEB)

    Carre, A.

    2007-09-15

    Amorphous silica (SiO{sub 2}) is of great importance in geoscience and mineralogy as well as a raw material in glass industry. Its structure is characterized as a disordered continuous network of SiO{sub 4} tetrahedra. Many efforts have been undertaken to understand the microscopic properties of silica by classical molecular dynamics (MD) simulations. In this method the interatomic interactions are modeled by an effective potential that does not take explicitely into account the electronic degrees of freedom. In this work, we propose a new methodology to parameterize such a potential for silica using ab initio simulations, namely Car-Parrinello (CP) method [Phys. Rev. Lett. 55, 2471 (1985)]. The new potential proposed is compared to the BKS potential [Phys. Rev. Lett. 64, 1955 (1990)] that is considered as the benchmark potential for silica. First, CP simulations have been performed on a liquid silica sample at 3600 K. The structural features so obtained have been compared to the ones predicted by the classical BKS potential. Regarding the bond lengths the BKS tends to underestimate the Si-O bond whereas the Si-Si bond is overestimated. The inter-tetrahedral angular distribution functions are also not well described by the BKS potential. The corresponding mean value of the SiOSi angle is found to be {approx_equal} 147 , while the CP yields to a SiOSi angle centered around 135 . Our aim is to fit a classical Born-Mayer/Coulomb pair potential using ab initio calculations. To this end, we use the force-matching method proposed by Ercolessi and Adams [Europhys. Lett. 26, 583 (1994)]. The CP configurations and their corresponding interatomic forces have been considered for a least square fitting procedure. The classical MD simulations with the resulting potential have lead to a structure that is very different from the CP one. Therefore, a different fitting criterion based on the CP partial pair correlation functions was applied. Using this approach the resulting

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

    Science.gov (United States)

    Shalit, Andrey; Perakis, Fivos; Hamm, Peter

    2014-04-01

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

  5. A humidity sensitive two-dimensional tunable amorphous photonic structure in the outer layer of bivalve ligament from Sunset Siliqua

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Weigang, E-mail: abczwg15@163.com [College of Materials and Chemical Engineering, Chuzhou University, Chuzhou 239000 (China); Zhang, Gangsheng [College of Material Science and Technology, Guangxi University, Nanning 530004 (China)

    2015-07-01

    A humidity sensitive two-dimensional tunable amorphous photonic structure (2D TAPS) in the outer layer of bivalve ligament from Sunset Siliqua (OLLS) was reported in this paper. The structural color and microstructure of OLLS were investigated by reflection spectra and scanning electron microscopy, respectively. The results indicate that the reflection peak wavelength of the wet OLLS blue-shifts from 454 nm to 392 nm with the increasing of air drying time from 0 to 40 min, while the reflectivity decreases gradually and vanishes at last, relevant color changes from blue to black background color. The structural color in the OLLS is produced by a two-dimensional amorphous photonic structure consisting of aligned protein fibers, in which the diameter of protein fiber and the inter-fiber spacing are 101 ± 12 nm. Water can reversibly tune the reflection peak wavelength and reflectivity of this photonic structure, and the regulation achieved through dynamically tuning the interaction between inter-fiber spacing and average refractive index. - Highlights: • A humidity sensitive two-dimensional tunable amorphous photonic structure • Water can reversibly tune the reflection peak wavelength and reflectivity of this photonic structure. • This photonic structure may yield very useful template for artificial structures.

  6. Synthesis and electrochemical evaluation of an amorphous titanium dioxide derived from a solid state precursor

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, Christopher D.; LaDuca, Holly; Lopez, Carmen M.; Jansen, Andrew N.; Vaughey, J.T. [Electrochemical Energy Storage Group, Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S Cass Ave., Argonne, IL 60439 (United States); McIntyre, Toni; Simmons, Sade; Breitzer, Jonathan G. [Department of Natural Science, Fayetteville State University, Fayetteville, NC (United States)

    2010-04-02

    Titanium oxides are an important class of lithium-ion battery electrodes owing to their good capacity and stability within the cell environment. Although most Ti(IV) oxides are poor electronic conductors, new methods developed to synthesize nanometer scale primary particles have achieved the higher rate capability needed for modern commercial applications. In this report, the anionic water stable titanium oxalate anion [TiO(C{sub 2}O{sub 4}){sub 2}]{sup 2-} was isolated in high yield as the insoluble DABCO (1,4-diazabicyclo[2.2.2]octane) salt. Powder X-ray diffraction studies show that the titanium dioxide material isolated after annealing in air is initially amorphous, converts to N-doped anatase above 400 C, then to rutile above 600 C. Electrochemical studies indicate that the amorphous titanium dioxide phase within a carbon matrix has a stable cycling capacity of {proportional_to}350 mAh g{sup -1}. On crystallizing at 400 C to a carbon-coated anatase the capacity drops to 210 mAh g{sup -1}, and finally upon carbon burn-off to 50 mAh g{sup -1}. Mixtures of the amorphous titanium dioxide and Li{sub 4}Ti{sub 5}O{sub 12} showed a similar electrochemical profile and capacity to Li{sub 4}Ti{sub 5}O{sub 12} but with the addition of a sloping region to the end of the discharge curve that could be advantageous for determining state-of-charge in systems using Li{sub 4}Ti{sub 5}O{sub 12}. (author)

  7. Free energy of binding of a small molecule to an amorphous polymer in a solvent.

    Science.gov (United States)

    Chunsrivirot, Surasak; Trout, Bernhardt L

    2011-06-01

    Crystallization is a commonly used purification process in industrial practice. It usually begins with heterogeneous nucleation on a foreign surface. The complicated mechanism of heterogeneous nucleation is not well understood, but we hypothesize that a possible correlation between binding affinity to a surface and nucleation enhancement might exist. Amorphous polymers have been used in controlling crystallization. However, to our knowledge, no attempt has been made to calculate the free energy of binding of a small molecule to an amorphous polymer in a solvent, and to characterize the binding sites/conformations of this system at a molecular level. We developed a two-step approach, first using Adsorption Locator to identify probable binding sites and molecular dynamics to screen for the best binding sites and then using the Blue-Moon Ensemble method to compute the free energy of binding. A system of ethylene glycol, polyvinyl alcohol (PVA), and heavy water (D(2)O) was used for validation, since experimental data exists on a related system. Looking at four independently constructed surfaces, we found that ethylene glycol binds to an indentation on the surface or in a hole beneath the surface. We focused on the indentation binding sites because they are easily accessible and do not have large free energy barriers. The closest system for which experimental data on binding energetics exists is ethylene glycol on PVA in aqueous solutions/gels, and the magnitudes of the free energy of binding to the three best indentation binding sites are close to the experimental value, 0.4-3.7 kcal/mol higher. Our approach offers a way to compute the free energy of binding and characterize the binding sites/conformations, and is general enough to apply to other small molecule/amorphous polymer/solvent systems.

  8. Mapping residual organics and carbonate at grain boundaries and in the amorphous interphase in mouse incisor enamel

    Directory of Open Access Journals (Sweden)

    Lyle M Gordon

    2015-03-01

    Full Text Available Dental enamel has evolved to resist the most grueling conditions of mechanical stress, fatigue, and wear. Adding insult to injury, it is exposed to the frequently corrosive environment of the oral cavity. While its hierarchical structure is unrivaled in its mechanical resilience, heterogeneity in the distribution of magnesium ions and the presence of Mg-substituted amorphous calcium phosphate (Mg-ACP as an intergranular phase have recently been shown to increase the susceptibility of mouse enamel to acid attack. Herein we investigate the distribution of two important constituents of enamel, residual organic matter and inorganic carbonate. We find that organics, carbonate, and possibly water show distinct distribution patterns in the mouse enamel crystallites, at simple grain boundaries, and in the amorphous interphase at multiple grain boundaries. This has implications for the resistance to acid corrosion, mechanical properties, and the mechanism by which enamel crystals grow during amelogenesis.

  9. Amorphous Metal Composites for use in Long-Life, Low-Temperature Gearboxes Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed concept is to explore the use of Amorphous Metals (AMs) and Amorphous Metal Composites (AMCs) (fabricated entirely at JPL) for use as gears and bearing...

  10. Evaluation of Drug Load and Polymer by Using a 96-Well Plate Vacuum Dry System for Amorphous Solid Dispersion Drug Delivery

    OpenAIRE

    Chiang, Po-Chang; Ran, Yingqing; Chou, Kang-Jye; Cui, Yong; Sambrone, Amy; Chan, Connie; Hart, Ryan

    2012-01-01

    It is well recognized that poor dissolution rate and solubility of drug candidates are key limiting factors for oral bioavailability. While numerous technologies have been developed to enhance solubility of the drug candidates, poor water solubility continuously remains a challenge for drug delivery. Among those technologies, amorphous solid dispersions (SD) have been successfully employed to enhance both dissolution rate and solubility of poorly water-soluble drugs. This research reports a h...

  11. Exchange coupling in crystalline/amorphous Nd-Fe-B nanoassemblies

    Energy Technology Data Exchange (ETDEWEB)

    Shield, J. E. [Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 (United States); Kappes, B. B. [Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 (United States); Crew, D. C. [Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11973 (United States); Branagan, D. J. [Idaho National Engineering and Environmental Laboratory, Idaho Falls, Idaho 83415 (United States)

    2000-05-01

    The demagnetization behavior of nanoassembled crystalline/amorphous microstructures was investigated. The microstructures consisted of isolated Nd{sub 2}Fe{sub 14}B crystallites surrounded by regions of remaining amorphous phase. The hard magnetic crystallites interacted with the surrounding amorphous phase over a length scale of approximately 1.5-2 nm. As the extent of the amorphous phase decreased to less than this, interactions between hard magnetic grains were observed. (c) 2000 American Institute of Physics.

  12. Properties of amorphous FeCoB alloy particles (abstract)

    DEFF Research Database (Denmark)

    Charles, S. W.; Wells, S.; Meagher, A.

    1988-01-01

    -ray diffraction. Magnetic measurements of the saturation magnetization, coercivity, and remanence of the particles have been measured. The transition from the amorphous-to-crystalline state has been studied using differential scanning calorimetry (DSC) and thermomagnetometry up to a temperature of 450 °C (see Fig...

  13. Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

    NARCIS (Netherlands)

    Torrichelli, G.; Zwol, van P.J.; Shpak, O.; Palasantzas, G.; Svetovoy, V.B.; Binns, C.; Kooi, B.J.; Jost, P.; Wittig, M.

    2012-01-01

    Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a signifi cant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and nonvolatile ele

  14. Evolution of clusters in energetic heavy ion bombarded amorphous graphite

    CERN Document Server

    Akhtar, M N; Ahmad, Shoaib

    2016-01-01

    Carbon clusters have been generated by a novel technique of energetic heavy ion bombardment of amorphous graphite. The evolution of clusters and their subsequent fragmentation under continuing ion bombardment is revealed by detecting various clusters in the energy spectra of the direct recoils emitted as a result of collision between ions and the surface constituents.

  15. SOME PECULIARITIES OF DUCTILE SHEAR FAILURE OF AMORPHOUS ALLOY RIBBONS

    NARCIS (Netherlands)

    BENGUS, VZ; TABACHNIKOVA, ED; SHUMILIN, SE; GOLOVIN, YI; MAKAROV, MV; SHIBKOV, AA; MISKUF, J; CSACH, K; Ocelik, Vaclav

    1993-01-01

    The kinetics of a shear crack propagation under ductile shear failure of amorphous alloys ribbons is studied experimentally. Some phenomena that accompany this failure are also studied: repeated alternation of the shear crack orientation, plastic corrugation of a ribbon, extreme local heating at the

  16. Beating the amorphous limit in thermal conductivity by superlattices design.

    Science.gov (United States)

    Mizuno, Hideyuki; Mossa, Stefano; Barrat, Jean-Louis

    2015-09-16

    The value measured in the amorphous structure with the same chemical composition is often considered as a lower bound for the thermal conductivity of any material: the heat carriers are strongly scattered by disorder, and their lifetimes reach the minimum time scale of thermal vibrations. An appropriate design at the nano-scale, however, may allow one to reduce the thermal conductivity even below the amorphous limit. In the present contribution, using molecular-dynamics simulation and the Green-Kubo formulation, we study systematically the thermal conductivity of layered phononic materials (superlattices), by tuning different parameters that can characterize such structures. We have discovered that the key to reach a lower-than-amorphous thermal conductivity is to block almost completely the propagation of the heat carriers, the superlattice phonons. We demonstrate that a large mass difference in the two intercalated layers, or weakened interactions across the interface between layers result in materials with very low thermal conductivity, below the values of the corresponding amorphous counterparts.

  17. Supercontinuum generation in hydrogenated amorphous silicon waveguides at telecommunication wavelengths.

    Science.gov (United States)

    Safioui, Jassem; Leo, François; Kuyken, Bart; Gorza, Simon-Pierre; Selvaraja, Shankar Kumar; Baets, Roel; Emplit, Philippe; Roelkens, Gunther; Massar, Serge

    2014-02-10

    We report supercontinuum (SC) generation centered on the telecommunication C-band (1550 nm) in CMOS compatible hydrogenated amorphous silicon waveguides. A broadening of more than 550 nm is obtained in 1cm long waveguides of different widths using as pump picosecond pulses with on chip peak power as low as 4 W.

  18. Molecular dynamics simulation of amorphous SiO2 nanoparticles.

    Science.gov (United States)

    Hoang, Vo Van

    2007-11-08

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

  19. Machine learning based interatomic potential for amorphous carbon

    Science.gov (United States)

    Deringer, Volker L.; Csányi, Gábor

    2017-03-01

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

  20. Visualization of the crystallization of lactose from the amorphous state.

    Science.gov (United States)

    Price, Robert; Young, Paul M

    2004-01-01

    The physical stability and solid-state recrystallization of spray-dried 'amorphous' lactose particles were visualized using environmentally controlled atomic force microscopy (EC-AFM) and conventional optical microscopy. The morphology and crystalline state were investigated as a function of relative humidity (RH) and were correlated with bulk gravimetric vapor sorption measurements that were run in parallel. The metastable nature of amorphous spray-dried lactose particles was apparent at low RHs (lactose during moisture uptake at 58 and 75% RH suggested only a proportion of the collapsed particles undergoes nucleation and crystal growth. The irregular surface morphology of the recrystallized particles suggested a secondary nucleation and growth process. Primary nucleation of alpha-lactose monohydrate within the non-recrystallized particles required exposure to elevated RH (94% RH). In relation to bulk measurements of moisture-induced amorphous recrystallization of spray-dried lactose, the results suggest that recrystallization of amorphous lactose, above a critical RH, may be induced by the presence of very low levels of a seed material, which may dramatically reduce the activation energy barrier for nucleation and crystal growth. Copyright 2004 Wiley-Liss, Inc.

  1. Structural origin of resistance drift in amorphous GeTe

    Science.gov (United States)

    Zipoli, Federico; Krebs, Daniel; Curioni, Alessandro

    2016-03-01

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

  2. Magnetoimpedance of cobalt-based amorphous ribbons/polymer composites

    Energy Technology Data Exchange (ETDEWEB)

    Semirov, A.V., E-mail: semirov@mail.ru [Irkutsk State University, Irkutsk (Russian Federation); Derevyanko, M.S.; Bukreev, D.A.; Moiseev, A.A.; Kudryavtsev, V.O. [Irkutsk State University, Irkutsk (Russian Federation); Safronov, A.P. [Ural Federal University, Yekaterinburg (Russian Federation)

    2016-10-01

    The combined influence of the temperature, the elastic tensile stress and the external magnetic field on the total impedance and impedance components were studied for rapidly quenched amorphous Co{sub 75}Fe{sub 5}Si{sub 4}B{sub 16} ribbons. Both as-cast amorphous ribbons and Co{sub 75}Fe{sub 5}Si{sub 4}B{sub 16}/polymer amorphous ribbon based composites were considered. Following polymer coverings were studied: modified rubber solution in o-xylene, solution of butyl methacrylate and methacrylic acid copolymer in isopropanol and solution of polymethylphenylsiloxane resin in toluene. All selected composites showed very good adhesion of the coverings and allowed to provide temperature measurements from 163 K up to 383 K under the applied deforming tensile force up to 30 N. The dependence of the modulus of the impedance and its components on the external magnetic field was influenced by the elastic tensile stresses and was affected by the temperature of the samples. It was shown that maximal sensitivity of the impedance and its components to the external magnetic field was observed at minimal temperature and maximal deforming force depended on the frequency of an alternating current. - Highlights: • Impedance and its components of amorphous Co{sub 75}Fe{sub 5}Si{sub 4}B{sub 16} ribbons were studied. • MI sensitivity to the magnetic field depends on a temperature and a deforming force. • Polymer covering can affect the functional properties of the composite.

  3. First-principles study of hydrogenated amorphous silicon

    NARCIS (Netherlands)

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

    2009-01-01

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

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

    NARCIS (Netherlands)

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

    2010-01-01

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

  5. Practical application of amorphous solar cells. High quality production technology

    Energy Technology Data Exchange (ETDEWEB)

    1984-08-01

    The targets of the project are to develop production technology of amorphous solar cells for electric power generation which will possess good reproducibility and be highly sensitive to solar light, and to elucidate their technological and economical applicability. During the years of from 1980 to 1982, studies on research and development of amorphous solar cells with multi-layer structure were made, and the conversion efficiency of the amorphous sollar cell was improved to 82.5% (10 cm square cell). (1) Amorphous growth equipment for continuous formation of tandem structure was designed and constructed. Boron concentration when grown in independent separate reaction chambers was found to be less than 1/10 of that grown in the single chanber. Film formation rate of 7/sup 0/ A/sec was achieved using Si/sub 2/H/sub 6/ for the growth of a-Si:H(i). (2) In the technology for stainless steel substrate modules, modules of the sizes specified by NEDO were assembled with the super strail structure employing tempered glass, achieving 4.7% conversion rate. (3) For materials and formation technology of the transparent conductive film grid electrode, light transmittance and resistance of the film made by sputtering evaporation of ITO film were studied. (4) As regards reliability technology, it was found that the tandem structure will greatly decreace the deterioration rate as compared with the single layer structure. The modules with super strait structre proved to be weatherproof. (4 figs)

  6. Amorphous Silk Fibroin Membranes for Separation of CO2

    Science.gov (United States)

    Aberg, Christopher M.; Patel, Anand K.; Gil, Eun Seok; Spontak, Richard J.; Hagg, May-Britt

    2009-01-01

    Amorphous silk fibroin has shown promise as a polymeric material derivable from natural sources for making membranes for use in removing CO2 from mixed-gas streams. For most applications of silk fibroin, for purposes other than gas separation, this material is used in its highly crystalline, nearly natural form because this form has uncommonly high tensile strength. However, the crystalline phase of silk fibroin is impermeable, making it necessary to convert the material to amorphous form to obtain the high permeability needed for gas separation. Accordingly, one aspect of the present development is a process for generating amorphous silk fibroin by treating native silk fibroin in an aqueous methanol/salt solution. The resulting material remains self-standing and can be prepared as thin film suitable for permeation testing. The permeability of this material by pure CO2 has been found to be highly improved, and its mixed-gas permeability has been found to exceed the mixed-gas permeabilities of several ultrahigh-CO2-permeable synthetic polymers. Only one of the synthetic polymers poly(trimethylsilylpropyne) [PTMSP] may be more highly permeable by CO2. PTMSP becomes unstable with time, whereas amorphous silk should not, although at the time of this reporting this has not been conclusively proven.

  7. Growth induced magnetic anisotropy in crystalline and amorphous thin films

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, F.

    1998-07-20

    The work in the past 6 months has involved three areas of magnetic thin films: (1) amorphous rare earth-transition metal alloys, (2) epitaxial Co-Pt and Ni-Pt alloy thin films, and (3) collaborative work on heat capacity measurements of magnetic thin films, including nanoparticles and CMR materials. A brief summary of work done in each area is given.

  8. Radiation-induced amorphization of rare-earth titanate pyrochlores

    Science.gov (United States)

    Lian, Jie; Chen, Jian; Wang, L. M.; Ewing, Rodney C.; Farmer, J. Matt; Boatner, Lynn A.; Helean, K. B.

    2003-10-01

    Single crystals of the entire series of A2Ti2O7 (A=Sm to Lu, and Y) pyrochlore compounds were irradiated by 1-MeV Kr+ ions at temperatures from 293 to 1073 K, and the microstructure evolution, as a function of increasing radiation fluence, was characterized using in situ transmission electron microscopy (TEM). The critical amorphization temperature, Tc, generally increases from ˜480 to ˜1120 K with increasing A-site cation size (e.g., 0.977 Å for Lu3+ to 1.079 Å for Sm3+). An abnormally high susceptibility to ion beam damage was found for Gd2Ti2O7 (with the highest Tc of ˜1120 K). Factors influencing the response of titanate pyrochlores to ion irradiation-induced amorphization are discussed in terms of cation radius ratio, defect formation, and the tendency to undergo an order-disorder transition to the defect-fluorite structure. The resistance of the pyrochlore structure to ion beam-induced amorphization is not only affected by the relative sizes of the A- and B-site cations, but also the cation electronic configuration and the structural disorder. Pyrochlore compositions that have larger structural deviations from the ideal fluorite structure, as evidenced by the smaller 48f oxygen positional parameter, x, are more sensitive to ion beam-induced amorphization.

  9. Upconversion spectroscopy of erbium in amorphous aluminum oxide microstructures

    NARCIS (Netherlands)

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

    2012-01-01

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

  10. Wear mechanism of electrodeposited amorphous Ni-Fe-P alloys

    Institute of Scientific and Technical Information of China (English)

    高诚辉; 赵源

    2004-01-01

    The wear mechanism of amorphous Ni-Fe-P coating was discussed. The wear resistance of the amor phous Ni-Fe-P coatings was tested on a Timken wear apparatus, and the wear track of the amorphous Ni-Fe-P coat ings as-deposited and heated at various temperatures was observed by SEM. The results show that the wear resistthe coating will change with the heating temperature increasing from pitting+plowing at 200 ℃ to pitting at 400 ℃,and to plowing at 600 ℃. The pits on the worn surface of the amorphous Ni-Fe-P coating result from the tribo-fatigue fracture. The cracks of spalling initiate at pits and propagate at certain angle with the sliding direction on sur face, and then extend into sub-surface along the poor P layers or the interface between layers. Finally under repeated action of the stress in the rubbing process the cracks meet and the debris forms. The generation of the pits and spal-ling is related with the internal stress, brittleness and layer structure of the amorphous Ni-Fe-P coating.

  11. Low temperature dynamics in amorphous solids : A photon echo study

    NARCIS (Netherlands)

    Meijers, Hans C.; Wiersma, Douwe A.

    1994-01-01

    The long-lived stimulated photon echo is put forward as a powerful technique to probe structural dynamics in glasses and other amorphous solids. We present results of optical dephasing measurements on several doped organic glasses (deuterated ethanol, toluene, and triethylamine) and polymers (polyst

  12. Grain boundary resistance to amorphization of nanocrystalline silicon carbide

    Science.gov (United States)

    Chen, Dong; Gao, Fei; Liu, Bo

    2015-11-01

    Under the C displacement condition, we have used molecular dynamics simulation to examine the effects of grain boundaries (GBs) on the amorphization of nanocrystalline silicon carbide (nc-SiC) by point defect accumulation. The results show that the interstitials are preferentially absorbed and accumulated at GBs that provide the sinks for defect annihilation at low doses, but also driving force to initiate amorphization in the nc-SiC at higher doses. The majority of surviving defects are C interstitials, as either C-Si or C-C dumbbells. The concentration of defect clusters increases with increasing dose, and their distributions are mainly observed along the GBs. Especially these small clusters can subsequently coalesce and form amorphous domains at the GBs during the accumulation of carbon defects. A comparison between displacement amorphized nc-SiC and melt-quenched single crystal SiC shows the similar topological features. At a dose of 0.55 displacements per atom (dpa), the pair correlation function lacks long range order, demonstrating that the nc-SiC is fully amorphilized.

  13. Performance of amorphous silicon photovoltaic systems, 1985--1989

    Energy Technology Data Exchange (ETDEWEB)

    1990-04-01

    This report discusses the performance of commercial amorphous silicon modules used in photovoltaic power systems from 1985 through 1989. Topics discussed include initial degradation, reliability, durability, and effects of temperature and solar irradiance on peak power and energy production. 6 refs., 18 figs.

  14. Modeling of amorphous carbon structures with arbitrary structural constraints.

    Science.gov (United States)

    Jornada, F H; Gava, V; Martinotto, A L; Cassol, L A; Perottoni, C A

    2010-10-06

    In this paper we describe a method to generate amorphous structures with arbitrary structural constraints. This method employs the simulated annealing algorithm to minimize a simple yet carefully tailored cost function (CF). The cost function is composed of two parts: a simple harmonic approximation for the energy-related terms and a cost that penalizes configurations that do not have atoms in the desired coordinations. Using this approach, we generated a set of amorphous carbon structures spawning nearly all the possible combinations of sp, sp(2) and sp(3) hybridizations. The bulk moduli of this set of amorphous carbons structures was calculated using Brenner's potential. The bulk modulus strongly depends on the mean coordination, following a power-law behavior with an exponent ν = 1.51 ± 0.17. A modified cost function that segregates carbon with different hybridizations is also presented, and another set of structures was generated. With this new set of amorphous materials, the correlation between the bulk modulus and the mean coordination weakens. The method proposed can be easily modified to explore the effects on the physical properties of the presence of hydrogen, dangling bonds, and structural features such as carbon rings.

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

    Science.gov (United States)

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

    2016-09-01

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

  16. First-principles study of hydrogenated amorphous silicon

    NARCIS (Netherlands)

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

    2009-01-01

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

  17. Improved physical stability of amorphous state through acid base interactions.

    Science.gov (United States)

    Telang, Chitra; Mujumdar, Siddharthya; Mathew, Michael

    2009-06-01

    To investigate role of specific interactions in aiding formation and stabilization of amorphous state in ternary and binary dispersions of a weakly acidic drug. Indomethacin (IMC), meglumine (MU), and polyvinyl pyrollidone (PVP) were the model drug, base, and polymer, respectively. Dispersions were prepared using solvent evaporation. Physical mixtures were cryogenically coground. XRPD, PLM, DSC, TGA, and FTIR were used for characterization. MU has a high crystallization tendency and is characterized by a low T(g) (17 degrees C). IMC crystallization was inhibited in ternary dispersion with MU compared to IMC/PVP alone. An amorphous state formed readily even in coground mixtures. Spectroscopic data are indicative of an IMC-MU amorphous salt and supports solid-state proton transfer. IMC-MU salt displays a low T(g) approximately 50 degrees C, but is more physically stable than IMC, which in molecular mixtures with MU, resisted crystallization even when present in stoichiometric excess of base. This is likely due to a disrupted local structure of amorphous IMC due to specific interactions. IMC showed improved physical stability on incorporating MU in polymer, in spite of low T(g) of the base indicating that chemical interactions play a dominant role in physical stabilization. Salt formation could be induced thermally and mechanically.

  18. Research Progress on Laser Cladding Amorphous Coatings on Metallic Substrates

    National Research Council Canada - National Science Library

    CHEN Ming-hui; ZHU Hong-mei; WANG Xin-lin

    2017-01-01

    ... in this paper.Combined with characteristics of the laser cladding technique,the research status of the laser cladding Fe-based,Zr-based,Ni-based,Cu-based and Al-based amorphous coatings on the metal substrates were mainly...

  19. Solid-state characterization of amorphous and mesomorphous calcium ketoprofen.

    Science.gov (United States)

    Atassi, Faraj; Mao, Chen; Masadeh, Ahmad S; Byrn, Stephen R

    2010-09-01

    This article is concerned with exploring the application of pair distribution in pharmaceutical analysis. The solid-state characterization of amorphous and mesomorphous (liquid crystalline) calcium ketoprofen is used as an example and the structures of the amorphous and mesomorphous phases of calcium ketoprofen are compared to that of the crystalline phase. An approach to calculating the optimal experimental parameters in pair distribution function (PDF) analysis as well as a suggested method to help assign the many different peaks in a PDF diagram of an organic material are discussed. The studied salts were analyzed by X-ray powder diffraction (XRPD), single crystal X-ray diffraction, Raman spectroscopy, polarized light microscopy (PLM), solid-state NMR (SSNMR), variable-temperature SSNMR, and PDF. Raman and SSNMR were useful techniques in identifying and differentiating the crystalline phase from the other two phases but failed, alone, to differentiate between the amorphous and mesomorphous phases. The absence of significant changes in chemical shifts in SSNMR and peak shifts in Raman spectra suggested that the differences in the molecular environment of the major chemical groups in the amorphous and mesomorphous phases were minimal. However, the broadening of the Raman and SSNMR peaks in the noncrystalline phases indicated an increase in the disorder in these systems. PDF analysis of the disordered phases revealed that upon dehydration or quench cooling where the system transformed from crystalline to become disordered, the calcium-calcium and calcium-oxygen (oxygen of the carboxylic acid) distances remained intact meanwhile the rest of the molecule became disordered. The preliminary results from variable-temperature SSNMR showed two different T(1) relaxation time profiles for the amorphous and mesomorphous phases. This was consistent with the hypothesis that part of the molecule remained ordered while the rest of the molecule became disordered and the amorphous

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

    Science.gov (United States)

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

    2016-12-01

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

  1. Precipitation of Co(2+) carbonates from aqueous solution: insights on the amorphous to crystalline transformation.

    Science.gov (United States)

    González-López, Jorge; Fernández-González, Ángeles; Jiménez, Amalia

    2016-04-01

    Cobalt is toxic metal that is present only as a trace in the Earth crust. However, Co might concentrate on specific areas due to both natural and anthropogenic factors and thus, soils and groundwater can be contaminated. It is from this perspective that we are interested in the precipitation of cobalt carbonates, since co-precipitation with minerals phases is a well-known method for metal immobilization in the environment. In particular, the carbonates are widely used due to its reactivity and natural abundance. In order to evaluate the cobalt carbonate precipitation at room temperature, a simple experimental work was carried out in this work. The precipitation occurred via reaction of two common salts: 0.05M of CoCl2 and 0.05M of Na2CO3 in aqueous solution. After reaction, the precipitated solid was kept in the remaining water at 25 oC and under constant stirring for different aging times of 5 min, 1 and 5 hours, 1, 2, 4, 7, 30 and 60 days. In addition to the aging and precipitation experiments, we carried out experiments to determine the solubility of the solids. In these experiments each precipitate was dissolved in Milli-Q water until equilibrium was reached and then the aqueous solution was analyzed regarding Co2+ and total alkalinity. Furthermore, acid solution calorimetry of the products were attained. Finally, we modeled the results using the PHREEQC code. Solid and aqueous phase identification and characterization have been extensively reported in a previous work (González-López et al., 2015). The main results of our investigation were the initial precipitation of an amorphous cobalt carbonate that evolve towards a poorly crystalline cobalt hydroxide carbonate with aging treatment. Solubility of both phases have been calculated under two different approaches: precipitation and dissolution. Values of solubility from each approach were obtained with a general error due to differences in experiment conditions, for instance, ionic strength, temperature and

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

    Science.gov (United States)

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

    2012-07-01

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

  3. Fluctuation Electron Microscopy of Amorphous and Polycrystalline Materials

    Science.gov (United States)

    Rezikyan, Aram

    Fluctuation Electron Microscopy (FEM) has become an effective materials' structure characterization technique, capable of probing medium-range order (MRO) that may be present in amorphous materials. Although its sensitivity to MRO has been exercised in numerous studies, FEM is not yet a quantitative technique. The holdup has been the discrepancy between the computed kinematical variance and the experimental variance, which previously was attributed to source incoherence. Although high-brightness, high coherence, electron guns are now routinely available in modern electron microscopes, they have not eliminated this discrepancy between theory and experiment. The main objective of this thesis was to explore, and to reveal, the reasons behind this conundrum. The study was started with an analysis of the speckle statistics of tilted dark-field TEM images obtained from an amorphous carbon sample, which confirmed that the structural ordering is sensitively detected by FEM. This analysis also revealed the inconsistency between predictions of the source incoherence model and the experimentally observed variance. FEM of amorphous carbon, amorphous silicon and ultra nanocrystalline diamond samples was carried out in an attempt to explore the conundrum. Electron probe and sample parameters were varied to observe the scattering intensity variance behavior. Results were compared to models of probe incoherence, diffuse scattering, atom displacement damage, energy loss events and multiple scattering. Models of displacement decoherence matched the experimental results best. Decoherence was also explored by an interferometric diffraction method using bilayer amorphous samples, and results are consistent with strong displacement decoherence in addition to temporal decoherence arising from the electron source energy spread and energy loss events in thick samples. It is clear that decoherence plays an important role in the long-standing discrepancy between experimental FEM and its

  4. Preserving the supersaturation generation capability of amorphous drug-polysaccharide nanoparticle complex after freeze drying.

    Science.gov (United States)

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

    2015-04-30

    While the supersaturation generation capability of amorphous nanopharmaceuticals (NPs) in their aqueous suspension form has been well established, their supersaturation generation is adversely affected after drying. Herein we investigated the effects of freeze drying on the supersaturation generation capability of a new class of amorphous NPs referred to as drug nanoplex prepared and stabilized by electrostatic complexation of drug molecules with polysaccharides (dextran sulfate). Using ciprofloxacin as the model drug, two types of freeze-drying adjuvants were investigated, i.e., (1) highly water-soluble excipient (trehalose, mannitol), whose role was to prevent irreversible NPs aggregations upon drying, and (2) crystallization inhibitor (hydroxypropylmethylcellulose (HPMC)), whose role was to suppress crystallization of the dissolved drug and the remaining solid phase. The results showed that dual-adjuvant formulations (i.e. trehalose-HPMC and mannitol-HPMC) were required to preserve the supersaturation generation capability of the drug nanoplex suspension after drying. Freeze drying with only one adjuvant type, or incorporating HPMC as physical mixtures with the freeze-dried nanoplex, were ineffective in preserving the supersaturation. The dual-adjuvant formulations produced prolonged supersaturation levels over 240min at ≈6-8× of the saturation solubility with comparable area under the curve (AUC) in the concentration versus time plot as that exhibited by the suspension form. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Transformation of amorphous calcium carbonate to rod-like single crystal calcite via "copying" collagen template.

    Science.gov (United States)

    Xue, Zhonghui; Hu, Binbin; Dai, Shuxi; Du, Zuliang

    2015-10-01

    Collagen Langmuir films were prepared by spreading the solution of collagen over deionized water, CaCl2 solution and Ca(HCO3)2 solution. Resultant collagen Langmuir monolayers were then compressed to a lateral pressure of 10 mN/m and held there for different duration, allowing the crystallization of CaCO3. The effect of crystallization time on the phase composition and microstructure of CaCO3 was investigated. It was found that amorphous calcium carbonate (ACC) was obtained at a crystallization time of 6 h. The amorphous CaCO3 was transformed to rod-like single crystal calcite crystals at an extended crystallization time of 12 h and 24 h, via "copying" the symmetry and dimensionalities of collagen fibers. Resultant calcite crystallites were well oriented along the longitudinal axis of collagen fibers. The ordered surface structure of collagen fibers and electrostatic interactions played key roles in tuning the oriented nucleation and growth of the calcite crystallites. The mineralized collagen possessing both desired mechanical properties of collagen fiber and good biocompatibility of calcium carbonate may be assembled into an ideal biomaterial for bone implants.

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

    CERN Document Server

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

    2003-01-01

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

  7. Tailoring the optical and hydrophobic property of zinc oxide nanorod by coating with amorphous graphene

    Science.gov (United States)

    Pahari, D.; Das, N. S.; Das, B.; Chattopadhyay, K. K.; Banerjee, D.

    2016-09-01

    Zinc oxide (ZnO) nanorods were synthesized at room temperature on potassium permanganate activated silicon and glass substrate by simple chemical method using zinc acetate as precursor. To modify the surface energy of the as prepared ZnO thin films the samples were coated with amorphous graphene (a-G) synthesized by un-zipping of chemically synthesized amorphous carbon nanotubes (a-CNTs). All the pure and coated samples were characterized by x-ray diffraction, field emission scanning electron microscope, Raman spectroscopy, and Fourier transformed infrared spectroscopy. The roughness analysis of the as prepared samples was done by atomic force microscopic analysis. The detail optical properties of all the samples were studied with the help of a UV-Visible spectrophotometer. The surface energy of the as prepared pure and coated samples was calculated by measuring the contact angle of two different liquids. It is seen that the water repellence of ZnO nanorods got increased after they are being coated with a-Gs. Also even after UV irradiation the contact angle remain same unlike the case for the uncoated sample where the contact angle gets decreased significantly after UV irradiation. Existing Cassie-Wenzel model has been employed along with the Owen's approach to determine the different components of surface energy.

  8. Amorphous to crystal conversion as a mechanism governing the structure of luminescent YVO4:Eu nanoparticles.

    Science.gov (United States)

    Fleury, Blaise; Neouze, Marie-Alexandra; Guigner, Jean-Michel; Menguy, Nicolas; Spalla, Olivier; Gacoin, Thierry; Carriere, David

    2014-03-25

    The development of functional materials by taking advantage of the physical properties of nanoparticles needs an optimal control over their size and crystal quality. In this context, the synthesis of crystalline oxide nanoparticles in water at room temperature is a versatile and industrially appealing process but lacks control especially for "large" nanoparticles (>30 nm), which commonly consist of agglomerates of smaller crystalline primary grains. Improvement of these syntheses is hampered by the lack of knowledge on possible intermediate, noncrystalline stages, although their critical importance has already been outlined in crystallization processes. Here, we show that during the synthesis of luminescent Eu-doped YVO4 nanoparticles a transient amorphous network forms with a two-level structuration. These two prestructuration scales constrain topologically the nucleation of the nanometer-sized crystalline primary grains and their aggregation in nanoparticles, respectively. This template effect not only clarifies why the crystal size is found independent of the nucleation rate, in contradiction with the classical nucleation models, but also supports the possibility to control the final nanostructure with the amorphous phase.

  9. Dropwise additive manufacturing of pharmaceutical products for amorphous and self emulsifying drug delivery systems.

    Science.gov (United States)

    Içten, Elçin; Purohit, Hitesh S; Wallace, Chelsey; Giridhar, Arun; Taylor, Lynne S; Nagy, Zoltan K; Reklaitis, Gintaras V

    2017-05-30

    The improvements in healthcare systems and the advent of the precision medicine initiative have created the need to develop more innovative manufacturing methods for the delivery and production of individualized dosing and personalized treatments. In accordance with the changes observed in healthcare systems towards more innovative therapies, this paper presents dropwise additive manufacturing of pharmaceutical products (DAMPP) for small scale, distributed manufacturing of individualized dosing as an alternative to conventional manufacturing methods A dropwise additive manufacturing process for amorphous and self-emulsifying drug delivery systems is reported, which utilizes drop-on-demand printing technology for automated and controlled deposition of melt-based formulations onto inert tablets. The advantages of drop on demand technology include reproducible production of droplets with adjustable sizing and high placement accuracy, which enable production of individualized dosing even for low dose and high potency drugs. Flexible use of different formulations, such as lipid-based formulations, allows enhancement of the solubility of poorly water soluble and highly lipophilic drugs with DAMPP. Here, DAMPP is used to produce solid oral dosage forms from melts of an active pharmaceutical ingredient and a surfactant. The dosage forms are analyzed to show the amorphous nature, self-emulsifying drug delivery system characteristics and dissolution behavior of these formulations. Copyright © 2017 Elsevier B.V. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-06-11

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-06-11

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

  12. X-Ray Amorphous Phases in Terrestrial Analog Volcanic Sediments: Implications for Amorphous Phases in Gale Crater, Mars

    Science.gov (United States)

    Smith, R. J.; Horgan, B.; Rampe, E.; Dehouck, E.; Morris, R. V.

    2017-01-01

    X-ray diffraction (XRD) amorphous phases have been found as major components (approx.15-60 wt%) of all rock and soil samples measured by the CheMin XRD instrument in Gale Crater, Mars. The nature of these phases is not well understood and could be any combination of primary (e.g., glass) and secondary (e.g., allophane) phases. Amorphous phases form in abundance during surface weathering on Earth. Yet, these materials are poorly characterized, and it is not certain how properties like composition and structure change with formation environment. The presence of poorly crystalline phases can be inferred from XRD patterns by the appearance of a low angle rise (Alpha Particle X-ray Spectrometer (APXS) have been used to estimate the abundance and composition of the XRD amorphous materials in soil and rock samples on Mars. Here we apply a similar approach to a diverse suite of terrestrial samples - modern soils, glacial sediments, and paleosols - in order to determine how formation environment, climate, and diagenesis affect the abundance and composition of X-ray amorphous phases.

  13. Molecular dynamics simulation of ion-beam-amorphization of Si, Ge and GaAs

    CERN Document Server

    Nord, J D; Keinonen, J

    2002-01-01

    We use molecular dynamics simulations to study ion-irradiation-induced amorphization in Si, Ge and GaAs using several different interatomic force models. We find that the coordination number is higher, and the average bond length longer, for the irradiated amorphous structures than for the molten ones in Si and Ge. For amorphous GaAs, we suggest that longer Ga-Ga bonds, also present in pure Ga, are produced during the irradiation. In Si the amorphization is found to proceed via growth of amorphous regions, and low energy recoils are found to induce athermal recrystallization during irradiation.

  14. Amorphous metal formulations and structured coatings for corrosion and wear resistance

    Science.gov (United States)

    Farmer, Joseph C.

    2011-12-13

    A system for coating a surface comprising providing a source of amorphous metal that contains more than 11 elements and applying the amorphous metal that contains more than 11 elements to the surface by a spray. Also a coating comprising a composite material made of amorphous metal that contains more than 11 elements. An apparatus for producing a corrosion-resistant amorphous-metal coating on a structure comprises a deposition chamber, a deposition source in the deposition chamber that produces a deposition spray, the deposition source containing a composite material made of amorphous metal that contains more than 11 elements, and a system that directs the deposition spray onto the structure.

  15. Pharmaceutical development of an amorphous solid dispersion formulation of elacridar hydrochloride for proof-of-concept clinical studies.

    Science.gov (United States)

    Sawicki, E; Schellens, J H M; Beijnen, J H; Nuijen, B

    2017-04-01

    A novel tablet formulation containing an amorphous solid dispersion (ASD) of elacridar hydrochloride was developed with the purpose to resolve the drug's low solubility in water and to conduct proof-of-concept clinical studies. Elacridar is highly demanded for proof-of-concept clinical trials that study the drug's suitability to boost brain penetration and bioavailability of numerous anticancer agents. Previously, clinical trials with elacridar were performed with a tablet containing elacridar hydrochloride. However, this tablet formulation resulted in poor and unpredictable absorption which was caused by the low aqueous solubility of elacridar hydrochloride. Twenty four different ASDs were produced and dissolution was compared to crystalline elacridar hydrochloride and a crystalline physical mixture. The formulation with highest dissolution was characterized for amorphicity. Subsequently, a tablet was developed and monitored for chemical/physical stability for 12 months at +15-25 °C, +2-8 °C and -20 °C. The ASD powder was composed of freeze dried elacridar hydrochloride-povidone K30-sodium dodecyl sulfate (1:6:1, w/w/w), appeared fully amorphous and resulted in complete dissolution whereas crystalline elacridar hydrochloride resulted in only 1% dissolution. The ASD tablets contained 25 mg elacridar hydrochloride and were stable for at least 12 months at -20 °C. The ASD tablet was considered feasible for proof-of-concept clinical studies and is now used as such.

  16. Improving reversible capacities of high surface lithium insertion materials – the case of amorphous TiO2

    Directory of Open Access Journals (Sweden)

    Swapna eGanapathy

    2014-11-01

    Full Text Available Chemisorbed water and solvent molecules and their reactivity with components from the electrolyte in high-surface nanostructured electrodes remains a contributing factor towards capacity diminishment on cycling in lithium ion batteries due to the limit in maximum annealing temperature. Here we report a marked improvement in the capacity retention of amorphous TiO2 by the choice of preparation solvent, control of annealing temperature and the presence of surface functional groups. Careful heating of the amorphous TiO2 sample prepared in acetone under vacuum lead to complete removal of all molecular solvent and an improved capacity retention of 220 mAh/g over 50 cycles at a C/10 rate. Amorphous TiO2 when prepared in ethanol and heated under vacuum showed an even better capacity retention of 240 mAh/g. From FTIR Spectroscopy and Electron Energy Loss Spectroscopy measurements, the improved capacity is attributed to the complete removal of ethanol and the presence of very small fractions of residual functional groups coordinated to oxygen-deficient surface titanium sites. These displace the more reactive chemisorbed hydroxyl groups, limiting reaction with components from the electrolyte and possibly enhancing the integrity of the solid electrolyte interface (SEI. The present research provides a facile strategy to improve the capacity retention of nanostructured electrode materials.

  17. Systems and Methods for Fabricating Objects Including Amorphous Metal Using Techniques Akin to Additive Manufacturing

    Science.gov (United States)

    Hofmann, Douglas (Inventor)

    2017-01-01

    Systems and methods in accordance with embodiments of the invention fabricate objects including amorphous metals using techniques akin to additive manufacturing. In one embodiment, a method of fabricating an object that includes an amorphous metal includes: applying a first layer of molten metallic alloy to a surface; cooling the first layer of molten metallic alloy such that it solidifies and thereby forms a first layer including amorphous metal; subsequently applying at least one layer of molten metallic alloy onto a layer including amorphous metal; cooling each subsequently applied layer of molten metallic alloy such that it solidifies and thereby forms a layer including amorphous metal prior to the application of any adjacent layer of molten metallic alloy; where the aggregate of the solidified layers including amorphous metal forms a desired shape in the object to be fabricated; and removing at least the first layer including amorphous metal from the surface.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-28

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

  19. Synthesis and characterization of Mg-based amorphous alloys and their use for decolorization of Azo dyes

    Science.gov (United States)

    Iqbal, M.; Wang, W. H.

    2014-06-01

    Mg-based alloys are light weight and have wide range of applications in the automotive industry. These alloys are widely used because of their very attractive physical and mechanical properties and corrosion resistance. The properties and applications can be further improved by changing the nature of materials from crystalline to amorphous. In this study, melt spun ribbons (MSRs) of Mg70Zn25Ca5 Mg68Zn27Ca5 alloys were prepared by melt spinning technique by using 3-4N pure metals. Characterization of the samples was done by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and energy dispersive x-ray analyzer (EDAX). Microstructural investigations were conducted by using scanning electron microscopy (SEM), atomic force microscopy (AFM) as well as optical and stereo scan microscopy techniques. DSC results showed multistage crystallization. Activation energy was found to be 225 kJ/mol by Kissinger method indicating good thermal stability against crystallization. XRD, DSC, SEM and EDS (energy dispersive spectroscopy) results are agreed very well. In order to study decolorization, the MSRs of Mg70Zn25Ca5 Mg68Zn27Ca5 alloys were treated repeatedly with various azo dyes at room temperature. In order to compare the results, MSRs of amorphous Zr- and Ni-based metallic glasses were also treated. Reaction of MSRs with azo dyes results in their decolorization in a few hours. Decolorization of azo dyes takes place by introducing amorphous MSRs which results in breaking the -N=N- bonds that exist in dye contents. It is concluded that Mg-based alloys are useful for paint and dye industries and will be beneficial to control water pollution. Comparison of results showed that Mg-based alloys are more efficient than Zr- and Ni-based amorphous alloys for decolorization of azo dyes.

  20. Fabrication of single-crystalline plasmonic nanostructures on transparent and flexible amorphous substrates

    Science.gov (United States)

    Mori, Tomohiro; Mori, Takeshi; Tanaka, Yasuhiro; Suzaki, Yoshifumi; Yamaguchi, Kenzo

    2017-01-01

    A new experimental technique is developed for producing a high-performance single-crystalline Ag nanostructure on transparent and flexible amorphous substrates for use in plasmonic sensors and circuit components. This technique is based on the epitaxial growth of Ag on a (001)-oriented single-crystalline NaCl substrate, which is subsequently dissolved in ultrapure water to allow the Ag film to be transferred onto a wide range of different substrates. Focused ion beam milling is then used to create an Ag nanoarray structure consisting of 200 cuboid nanoparticles with a side length of 160 nm and sharp, precise edges. This array exhibits a strong signal and a sharp peak in plasmonic properties and Raman intensity when compared with a polycrystalline Ag nanoarray. PMID:28216626