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Sample records for amorphous state

  1. Solid-state diffusion in amorphous zirconolite

    Science.gov (United States)

    Yang, C.; Zarkadoula, E.; Dove, M. T.; Todorov, I. T.; Geisler, T.; Brazhkin, V. V.; Trachenko, K.

    2014-11-01

    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.

  2. 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.

  3. 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

  4. Superconducting State Parameters of Bulk Amorphous Alloys

    Directory of Open Access Journals (Sweden)

    Aditya M. Vora

    2012-12-01

    Full Text Available Well recognized empty core (EMC pseudopotential of Ashcroft is used to investigate the superconducting state parameters viz; electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature TC, isotope effect exponent α and effective interaction strength NOV of some (Ni33Zr671 – xVx (x = 0, 0.05, 0.1, 0.15 bulk amorphous alloys. We have incorporated five different types of local field correction functions, proposed by Hartree (H, Taylor (T, Ichimaru-Utsumi (IU, Farid et al. (F and Sarkar et al. (S to show the effect of exchange and correlation on the aforesaid properties. Very strong influence of the various exchange and correlation functions is concluded from the present study. The TC obtained from Sarkar et al. (S local field correction function are found an excellent agreement with available theoretical data. Quadratic TC equation has been proposed, which provide successfully the TC values of bulk amorphous alloys under consideration. Also, the present results are found in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the s bulk amorphous alloys.

  5. Solid state amorphization kinetic of alpha lactose upon mechanical milling.

    Science.gov (United States)

    Caron, Vincent; Willart, Jean-François; Lefort, Ronan; Derollez, Patrick; Danède, Florence; Descamps, Marc

    2011-11-29

    It has been previously reported that α-lactose could be totally amorphized by ball milling. In this paper we report a detailed investigation of the structural and microstructural changes by which this solid state amorphization takes place. The investigations have been performed by Powder X-ray Diffraction, Solid State Nuclear Magnetic Resonance ((13)C CP-MAS) and Differential Scanning Calorimetry. The results reveal the structural complexity of the material in the course of its amorphization so that it cannot be considered as a simple mixture made of a decreasing crystalline fraction and an increasing amorphous fraction. Heating this complexity can give rise to a fully nano-crystalline material. The results also show that chemical degradations upon heating are strongly connected to the melting process. PMID:21983262

  6. Anharmonic Decay of Vibrational States in Amorphous Silicon

    OpenAIRE

    Fabian, Jaroslav; Allen, Philip B.

    1996-01-01

    Anharmonic decay rates are calculated for a realistic atomic model of amorphous silicon. The results show that the vibrational states decay on picosecond timescales and follow the two-mode density of states, similar to crystalline silicon, but somewhat faster. Surprisingly little change occurs for localized states. These results disagree with a recent experiment.

  7. 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

  8. 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.

  9. Optoelectronic properties of valence-state-controlled amorphous niobium oxide

    Science.gov (United States)

    Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

    2016-06-01

    In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.

  10. Optoelectronic properties of valence-state-controlled amorphous niobium oxide.

    Science.gov (United States)

    Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

    2016-06-29

    In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications. PMID:27168317

  11. Multivariate Quantification of the Solid State Phase Composition of Co-Amorphous Naproxen-Indomethacin

    DEFF Research Database (Denmark)

    Beyer, Andreas; Grohganz, Holger; Löbmann, Korbinian;

    2015-01-01

    regression approach that enables the simultaneous determination of up to four solid state fractions: crystalline naproxen, γ-indomethacin, α-indomethacin as well as co-amorphous naproxen-indomethacin. For this purpose, a calibration set that covers the whole range of possible combinations of the four...... four solid state phases, involving one co-amorphous phase, can be quantified with this XRPD data-based approach.......To benefit from the optimized dissolution properties of active pharmaceutical ingredients in their amorphous forms, co-amorphisation as a viable tool to stabilize these amorphous phases is of both academic and industrial interest. Reports dealing with the physical stability and recrystallization...

  12. Structural characterisation of amorphous materials by solid state NMR

    CERN Document Server

    Mollison, N B

    2002-01-01

    Solid state nuclear magnetic resonance (NMR) is a structural elucidation technique that is ideal as a probe in the investigation of atomic structure of highly complex amorphous materials. In this study, NMR is employed in the structural characterisation of a series of sodium-lithium disilicate glasses. These so-called 'mixed-alkali' glasses are of great scientific interest, since they exhibit non-linear ionic transport related properties; the theory of which is not understood, but is thought to be related to the cation distribution in the disilicate network. This project attempts to utilise solid state NMR to its fullest potential, by combining several techniques, including the novel MQMAS experiment and a series of double resonance measurements. The double resonance techniques TRAPDOR and SEDOR have been attempted to measure sup 2 sup 9 Si-left brace sup 2 sup 3 Na right brace and sup 6 sup , sup 7 Li-left brace sup 7 sup , sup 6 Li right brace interactions respectively. Since these experiments rely on the d...

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

    International Nuclear Information System (INIS)

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

  14. Hydrogen-free amorphous silicon with no tunneling states.

    Science.gov (United States)

    Liu, Xiao; Queen, Daniel R; Metcalf, Thomas H; Karel, Julie E; Hellman, Frances

    2014-07-11

    The ubiquitous low-energy excitations, known as two-level tunneling systems (TLSs), are one of the universal phenomena of amorphous solids. Low temperature elastic measurements show that e-beam amorphous silicon (a-Si) contains a variable density of TLSs which diminishes as the growth temperature reaches 400 °C. Structural analyses show that these a-Si films become denser and more structurally ordered. We conclude that the enhanced surface energetics at a high growth temperature improved the amorphous structural network of e-beam a-Si and removed TLSs. This work obviates the role hydrogen was previously thought to play in removing TLSs in the hydrogenated form of a-Si and suggests it is possible to prepare "perfect" amorphous solids with "crystal-like" properties for applications. PMID:25062205

  15. The pressure-amorphized state in zirconium tungstate: a precursor to decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Arora, Akhilesh K [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Sastry, V S [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Sahu, P Ch [Materials Science Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102 (India); Mary, T A [Department of Materials Science, California Institute of Technology, Pasadena, CA 91125 (United States)

    2004-02-25

    In contrast to widely accepted view that pressure-induced amorphization arises due to kinetic hindrance of equilibrium phase transitions, here we provide evidence that the metastable pressure-amorphized state in zirconium tungstate is a precursor to decomposition of the compound into a mixture of simple oxides. This is from the volume collapse {delta}V across amorphization, which is obtained for the first time by measuring linear dimensions of irreversibly amorphized samples during their recovery to the original cubic phase upon isochronal annealing up to 1000 K. The anomalously large {delta}V of 25.7 {+-} 1.2% being the same as that expected for the decomposition indicates that this amorphous state is probably a precursor to kinetically hindered decomposition. A P-T diagram of the compound is also proposed.

  16. Exchange bias and bistable magneto-resistance states in amorphous TbFeCo thin films

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiaopu, E-mail: xl6ba@virginia.edu; Ma, Chung T.; Poon, S. Joseph, E-mail: sjp9x@virginia.edu [Department of Physics, University of Virginia, Charlottesville, Virginia 22904 (United States); Lu, Jiwei [Department of Materials Science and Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Devaraj, Arun [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Spurgeon, Steven R.; Comes, Ryan B. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2016-01-04

    Amorphous TbFeCo thin films sputter deposited at room temperature on thermally oxidized Si substrate are found to exhibit strong perpendicular magnetic anisotropy. Atom probe tomography, scanning transmission electron microscopy, and energy dispersive X-ray spectroscopy mapping have revealed two nanoscale amorphous phases with different Tb atomic percentages distributed within the amorphous film. Exchange bias accompanied by bistable magneto-resistance states has been uncovered near room temperature by magnetization and magneto-transport measurements. The exchange anisotropy originates from the exchange interaction between the ferrimagnetic and ferromagnetic components corresponding to the two amorphous phases. This study provides a platform for exchange bias and magneto-resistance switching using single-layer amorphous ferrimagnetic thin films that require no epitaxial growth.

  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. Transportation properties of amorphous state InSb and its metastable middle phase

    International Nuclear Information System (INIS)

    The variation of the substrate temperature induces the metal-semiconductor transition in the condensation InSb films at low temperatrue. The electron conduction is dominant in the metal-type amorphous InSb and the hole in semiconductor-type one. In the metal-type amorphous InSb the electron-electron is correlated under the field above 0.1T in the temperature region of liquid nitrogen. The structure relaxation leads to not only the increase of the short range order but also the change of electron structure in metal-type amorphous InSb. The first conductance jump originates mainly from the increase of Hall mobility of the carrier, i.e. the increase of the short range order, and the system relaxes from the liquid-like to the lattice-like amorphous state. The three types of the crystallization phase transition for the metal-type amorphous InSb present obviously different transportation behaviours. Both metal-type amorphous state and metastable middle phase of InSb all are one of superconducting system with the lowest carrier concentration (n0∼1018 cm-3). Superconducting Tc of the metastable middle phase is related to the state density near Fermi surface, i.e. the higher Tc corresponds to the higher state density. The quasi-two-dimensional structure is favourable to superconductivity

  19. Athermal character of the solid state amorphization of lactose induced by ball milling

    Science.gov (United States)

    Willart, J. F.; Caron, V.; Lefort, R.; Danède, F.; Prévost, D.; Descamps, M.

    2004-12-01

    In this paper, we report the possibility to reach pure glassy amorphous lactose by ball milling of crystalline α lactose under a dry nitrogen atmosphere. This route to the glassy state is found to be free of mutarotation towards the anomer β while this mutarotation is unavoidable using the usual thermal route, i.e. the quench of the liquid. This result definitely makes the 'local quench melting' hypothesis unsuitable to account for amorphization by ball milling.

  20. Multivariate Quantification of the Solid State Phase Composition of Co-Amorphous Naproxen-Indomethacin

    Directory of Open Access Journals (Sweden)

    Andreas Beyer

    2015-10-01

    Full Text Available To benefit from the optimized dissolution properties of active pharmaceutical ingredients in their amorphous forms, co-amorphisation as a viable tool to stabilize these amorphous phases is of both academic and industrial interest. Reports dealing with the physical stability and recrystallization behavior of co-amorphous systems are however limited to qualitative evaluations based on the corresponding X-ray powder diffractograms. Therefore, the objective of the study was to develop a quantification model based on X-ray powder diffractometry (XRPD, followed by a multivariate partial least squares regression approach that enables the simultaneous determination of up to four solid state fractions: crystalline naproxen, γ-indomethacin, α-indomethacin as well as co-amorphous naproxen-indomethacin. For this purpose, a calibration set that covers the whole range of possible combinations of the four components was prepared and analyzed by XRPD. In order to test the model performances, leave-one-out cross validation was performed and revealed root mean square errors of validation between 3.11% and 3.45% for the crystalline molar fractions and 5.57% for the co-amorphous molar fraction. In summary, even four solid state phases, involving one co-amorphous phase, can be quantified with this XRPD data-based approach.

  1. Thermodynamic and Kinetic Study of Crystallization Reaction of Fe/Dy Multilayers Form Amorphous State

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    To give further insight into the behavior of Fe/Dy multilayers in the crystallization from as-deposited amorphous state, free energy diagram of Fe/Dy system was constructed based on Miedema semiempirical theory. It is shown that the crystallization of amorphous films is controlled by both thermodynamic and kinetic conditions. The calculated free energies of crystalline Fe and Dy are significantly lower than those in the amorphous states, which provide thermodynamic driving force for crystallization. During annealing, the kinetic phase evolution of the multilayers is controlled by free energy barrier of nucleation and critical-size of new phase nucleus. Thus it explains the experimental results that Fe crystallites formed first followed by Dy grains, whereas crystalline Fe-Dy intermetallic compounds were not observed during annealing at moderate temperatures.

  2. Compression behavior and equation of state of Ni77P23 amorphous alloy

    Institute of Scientific and Technical Information of China (English)

    LI Gong; GAO YunPeng; SUN YiNan; MA MingZhen; LIU Jing; LIU RiPing

    2007-01-01

    The compression behavior of Ni77P23 amorphous alloy is investigated at room temperature in a diamond-anvil cell instrument using in-situ high pressure energy dispersive X-ray diffraction with a synchrotron radiation source. The equation of state is determined by fitting the experimental data according to Birch-Murnaghan equation: -△V/V0=0.08606P-3.2×10-4P2+5.7×10-6P3. It is found that the structure of Ni77P23 amorphous alloy is stable under pressures up to 30.5 Gpa.

  3. 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.

  4. 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. PMID:26886314

  5. Characterization of degradation products of amorphous and polymorphic forms of clopidogrel bisulphate under solid state stress conditions

    DEFF Research Database (Denmark)

    Raijada, Dhara K; Prasad, Bhagwat; Paudel, Amrit;

    2010-01-01

    The present study deals with the stress degradation studies on amorphous and polymorphic forms of clopidogrel bisulphate. The objective was to characterize the degradation products and postulate mechanism of decomposition of the drug under solid state stress conditions. For that, amorphous form, ...

  6. Steady-state flow properties of amorphous materials

    Science.gov (United States)

    Jadhao, Vikram; O'Connor, Thomas; Robbins, Mark

    2015-03-01

    Molecular dynamics (MD) simulations are used to investigate the steady-state shear flow curves of a standard glass model: the bidisperse Lennard-Jones system. For a wide range of temperatures in the neighborhood of the glass transition temperature Tg predicted by the mode coupling theory, we compute the steady-state shear stress and viscosity as a function of the shear rate γ ˙. At temperatures near and above Tg, the stress crosses over from linear Newtonian behavior at low rates to power law shear-thinning at high rates. As T decreases below Tg, the stress shows a plateau, becoming nearly rate-independent at low γ ˙. There is a weak increase in stress that is consistent with Eyring theory for activated flow of a solid. We find that when the strain rate is reduced to extremely low values, Newtonian behavior appears once more. Insights gained from these simulations are applied to the computation of flow curves of a well-established boundary lubricant: squalane. In the elastohydrodynamic regime, squalane responds like a glassy solid with an Eyring-like response, but at low rates it has a relatively small Newtonian viscosity. Supported by the Army Research Laboratory under Grant W911NF-12-2-0022.

  7. Correlation between Structures of Bulk Amorphous Zr-Ti-Ni-Cu-Be Alloy in Different States

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The structures of the bulk amorphous Zr41Ti14Cu12.5Ni10.0Be22.5 alloy have been analyzed in solid, supercooled liquid and liquid with X-ray diffraction. The first coordination sphere radii and the first coordination numbers are 0.312 nm, 11.2 in solid state, 0.301 nm, 10.932 in supercooled liquid region and 0.305 nm, 11.296 in liquid state. The structures are the same in different states. But it shows some tendency to crystallizing that the first coordination sphere radius and the first coordination number drop in supercooled liquid region.

  8. Structures of bulk amorphous Zr41Ti14Ni10Cu12.5Be22.5 alloy in amorphous, crystalline, supercooled liquid and liquid states

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The amorphous and crystal structures of Zr41Ti14Ni10Cu12.5Be22.5 alloy have been analyzed with X-ray diffractometer. The structures of bulk amorphous Zr41Ti14Ni10Cu12.5B22.5 alloy in solid, supercooled liquid and liquid states are almost of the same structure. The RDFs (Radius Distribution Function), the first coordination number, the first coordination radius, the correlation radius and atom number of the cluster were calculated for bulk amorphous Zr41Ti14Ni10Cu12.5B22.5 alloy in different states. The first coordination sphere radii and the first coordination numbers are 0.312nm, 11.2 in solid state, 0.301nm, 10.932 in supercooled liquid region and 0.305nm, 11.296 in liquid state. The crystal structure of Zr41Ti14Ni10Cu12.5B22.5 alloy is consisted of several intermetallic compounds which are CuZr2, Be2Zr, etc. The reason of formation glass for this alloy is that there is a larger resistance for atoms to rearrange and form intermetallic compounds in a long range order.

  9. Influence of solid-state acidity on the decomposition of sucrose in amorphous systems. I.

    Science.gov (United States)

    Alkhamis, Khouloud A

    2008-10-01

    It was of interest to develop a method for solid-state acidity measurements using pH indicators and to correlate this method to the degradation rate of sucrose. Amorphous samples containing lactose 100mg/ml, sucrose 10mg/ml, citrate buffer (1-50mM) and sodium chloride (to adjust the ionic strength) were prepared by freeze-drying. The lyophiles were characterized using powder X-ray diffraction, differential scanning calorimetry and Karl Fischer titremetry. The solid-state acidity of all lyophiles was measured using diffuse reflectance spectroscopy and suitable indicators (thymol blue or bromophenol blue). The prepared lyophiles were subjected to a temperature of 60 degrees C and were analyzed for degradation using the Trinder kit. The results obtained from this study have shown that the solid-state acidity depends mainly on the molar ratio of the salt and the acid used in buffer preparation and not on the initial pH of the solution. The degradation of sucrose in the lyophiles is extremely sensitive to the solid-state acidity and the ionic strength. Reasonable correlation was obtained between the Hammett acidity function and sucrose degradation rate. The use of cosolvents (in the calibration plots) can provide good correlations with the rate of an acid-catalyzed reaction, sucrose inversion, in amorphous lyophiles. PMID:18647642

  10. Density-functional theory study of stability and subgap states of crystalline and amorphous Zn-Sn-O

    OpenAIRE

    Körner, Wolfgang; Elsässer, Christian

    2014-01-01

    We present a density-functional theory analysis of stoichiometric and nonstoichiometric crystalline and amorphous Zn-Sn-O systems (c-ZTO, a-ZTO) which connects structural features with electronic properties in order to contribute to the understanding of the recently discovered subgap states in a-ZTO and other amorphous oxide films. In particular we show that defect levels originating from oxygen vacancies are too high in energy to be responsible for levels above the valence band edge. We offe...

  11. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  12. Better understanding of dissolution behaviour of amorphous drugs by in situ solid-state analysis using Raman spectroscopy.

    Science.gov (United States)

    Savolainen, M; Kogermann, K; Heinz, A; Aaltonen, J; Peltonen, L; Strachan, C; Yliruusi, J

    2009-01-01

    Amorphous drugs have a higher kinetic solubility and dissolution rate than their crystalline counterparts. However, this advantage is lost if the amorphous form converts to the stable crystalline form during the dissolution as the dissolution rate will gradually change to that of the crystalline form. The purpose of this study was to use in situ Raman spectroscopy in combination with either partial least squares discriminant analysis (PLS-DA) or partial least squares (PLS) regression analysis to monitor as well as quantify the solid-phase transitions that take place during the dissolution of two amorphous drugs, indomethacin (IMC) and carbamazepine (CBZ). The dissolution rate was higher from amorphous IMC compared to the crystalline alpha- and gamma-forms. However, the dissolution rate started to slow down during the experiment. In situ Raman analysis verified that at that time point the sample started to crystallize to the alpha-form. Amorphous CBZ instantly started to crystallize upon contact with the dissolution medium. The transition from the amorphous form to CBZ dihydrate appears to go through the anhydrate form I. Based on the PLS analysis the amount of form I formed in the sample during the dissolution affected the dissolution rate. Raman spectroscopy combined with PLS-DA was also more sensitive to the solid-state changes than X-ray powder diffraction (XRPD) and was able to detect changes in the solid-state that could not be detected with XRPD. PMID:18590816

  13. Nucleation of Organic Molecules via a Hot Precursor State: Pentacene on Amorphous Mica.

    Science.gov (United States)

    Winkler, Adolf; Tumbek, Levent

    2013-12-01

    Organic thin films have attracted considerable interest due to their applicability in organic electronics. The classical scenario for thin film nucleation is the diffusion-limited aggregation (DLA). Recently, it has been shown that organic thin film growth is better described by attachment-limited aggregation (ALA). However, in both cases, an unusual relationship between the island density and the substrate temperature was observed. Here, we present an aggregation model that goes beyond the classical DLA or ALA models to explain this behavior. We propose that the (hot) molecules impinging on the surface cannot immediately equilibrate to the substrate temperature but remain in a hot precursor state. In this state, the molecules can migrate considerable distances before attaching to a stable or unstable island. This results in a significantly smaller island density than expected by assuming fast equilibration and random diffusion. We have applied our model to pentacene film growth on amorphous Muscovite mica. PMID:24340130

  14. Electronic structure and defect states of transition films from amorphous to microcrystalline silicon studied by surface photovoltage spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Yu Wei; Wang Chun-Sheng; Lu Wan-Bing; He Jie; Han Xiao-Xia; Fu Guang-Sheng

    2007-01-01

    In this paper, surface photovoltage spectroscopy (SPS) is used to determine the electronic structure of the hydro-genated transition Si films. All samples are prepared by using helicon wave plasma-enhanced chemical vapour deposition technique, the films exhibit a transition from the amorphous phase to the microcrystalline phase with increasing temperature. The film deposited at lower substrate temperature has the amorphous-like electronic structure with two types of dominant defect states corresponding to the occupied Si dangling bond states (D0/D-) and the empty Si dangling states (D+). At higher substrate temperature, the crystallinity of the deposited films increases, while their band gap energy decreases. Meanwhile, two types of additional defect states is incorporate into the films as compared with the amorphous counterpart, which is attributed to the interface defect states between the microcrystalline Si grains and the amorphous matrix. The relative SPS intensity of these two kinds of defect states in samples deposited above 300 C increases first and decreases afterwards, which may be interpreted as a result of the competition between hydrogen release and crystalline grain size increment with increasing substrate temperature.

  15. Amorphous state in the mixed phase of quark-hadron phase transition in protoneutron stars

    CERN Document Server

    Yasutake, Nobutoshi; Tatsumi, Toshitaka

    2012-01-01

    We study the quark-hadron mixed phase in protoneutron stars, where neutrinos are trapped and lepton number becomes a conserved quantity besides the baryon number and electric charge. Considering protoneutron star matter as a ternary system, the Gibbs conditions are applied together with the Coulomb interaction. We find there appears no crystalline ("pasta") structure in the regime of high lepton-number fraction; the size of pasta becomes very large and the geometrical structure becomes mechanically unstable due to the charge screening effect. Consequently the whole system is separated into two bulk regions like an amorphous state, where the surface effect is safely neglected. The local charge neutrality is approximately attained there. After neutrinos are ejected, the matter becomes a binary system. Charge neutrality is globally ensured and the pasta structures appear there. These features are important to consider the quark-hadron phase transition during the evolution of protoneutron stars.

  16. Estimation of the impact of electrostatic discharge on density of states in hydrogenated amorphous silicon thin-film transistors

    NARCIS (Netherlands)

    Tosic Golo, Natasa; Wal, van der Siebrigje; Kuper, F.G.; Mouthaan, A.J.

    2002-01-01

    The objective of this letter is to give an estimation of the impact of an electrostatic discharge (ESD) stress on the density of states (DOS) within the energy gap of hydrogenated amorphous silicon (a-Si:H) thin-film transistors. ESD stresses were applied by means of a transmission line model tester

  17. Effect of milling conditions on solid-state amorphization of glipizide, and characterization and stability of solid forms.

    Science.gov (United States)

    Xu, Kailin; Xiong, Xinnuo; Zhai, Yuanming; Wang, Lili; Li, Shanshan; Yan, Jin; Wu, Di; Ma, Xiaoli; Li, Hui

    2016-09-10

    In this study, the amorphization of glipizide was systematically investigated through high-energy ball milling at different temperatures. The results of solid-state amorphization through milling indicated that glipizide underwent direct crystal-to-glass transformation at 15 and 25°C and crystal-to-glass-to-crystal conversion at 35°C; hence, milling time and temperature had significant effects on the amorphization of glipizide, which should be effectively controlled to obtain totally amorphous glipizide. Solid forms of glipizide were detailedly characterized through analyses of X-ray powder diffraction, morphology, thermal curves, vibrational spectra, and solid-state nuclear magnetic resonance. The physical stability of solid forms was investigated under different levels of relative humidity (RH) at 25°C. Forms I and III are kinetically stable and do not form any new solid-state forms at various RH levels. By contrast, Form II is kinetically unstable, undergoing direct glass-to-crystal transformation when RH levels higher than 32.8%. Therefore, stability investigation indicated that Form II should be stored under relatively dry conditions to prevent rapid crystallization. High temperatures can also induce the solid-state transformation of Form II; the conversion rate increased with increasing temperature.

  18. Variation of the electronic densities of states as a function of impurity concentration in amorphous bismuth alloys

    Science.gov (United States)

    Mata-Pinzon, Zaahel; Valladares, Ariel Alberto; Valladares, Alexander; Valladares, Renela Maria

    2014-03-01

    The properties of materials are strongly related to their atomic topology, especially when we compare properties related to the ordered and disordered phases. Using Density Functional Theory methods on 64-atom supercells we obtain the structure and calculate the electronic density of states (eDOS) as a function of the concentration of lead, thallium or antimony in an amorphous bismuth supercell. This is done to investigate how the eDOS affects the superconducting transition temperature (Tc), taking into account the measurements made by Shier and Ginsberg[2] on contaminated amorphous bismuth thin films. Supported by CONACYT and DGAPA (UNAM).

  19. Energy band alignment and electronic states of amorphous carbon surfaces in vacuo and in aqueous environment

    Energy Technology Data Exchange (ETDEWEB)

    Caro, Miguel A., E-mail: mcaroba@gmail.com [Department of Electrical Engineering and Automation, Aalto University, Espoo (Finland); Department of Applied Physics, COMP Centre of Excellence in Computational Nanoscience, Aalto University, Espoo (Finland); Määttä, Jukka [Department of Chemistry, Aalto University, Espoo (Finland); Lopez-Acevedo, Olga [Department of Applied Physics, COMP Centre of Excellence in Computational Nanoscience, Aalto University, Espoo (Finland); Laurila, Tomi [Department of Electrical Engineering and Automation, Aalto University, Espoo (Finland)

    2015-01-21

    In this paper, we obtain the energy band positions of amorphous carbon (a–C) surfaces in vacuum and in aqueous environment. The calculations are performed using a combination of (i) classical molecular dynamics (MD), (ii) Kohn-Sham density functional theory with the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional, and (iii) the screened-exchange hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE). PBE allows an accurate generation of a-C and the evaluation of the local electrostatic potential in the a-C/water system, HSE yields an improved description of energetic positions which is critical in this case, and classical MD enables a computationally affordable description of water. Our explicit calculation shows that, both in vacuo and in aqueous environment, the a-C electronic states available in the region comprised between the H{sub 2}/H{sub 2}O and O{sub 2}/H{sub 2}O levels of water correspond to both occupied and unoccupied states within the a-C pseudogap region. These are localized states associated to sp{sup 2} sites in a-C. The band realignment induces a shift of approximately 300 meV of the a-C energy band positions with respect to the redox levels of water.

  20. AMORPHIZATION OF CRYSTALLINE COBALT AND TIN MULTILAYERS BY SOLID STATE REACTION AT ROOM TEMPERATURE

    OpenAIRE

    Guilmin, P.; Guyot, P.; Marcha, G.

    1985-01-01

    Amorphous Cox Sn1-x alloys have been obtained, at room temperature, by interdiffusion from initially crystalline multilayers. The properties of these alloys (forming ability range, temperature variation of electrical resistance, crystallization temperature and magnetic behaviour) are compared to those of Cox, Sn1-x amorphous alloys formed by co-evaporation at 77 K.

  1. Steady-state photoconductivity of amorphous (As4S3Se3)1-x:Snx films

    Science.gov (United States)

    Iaseniuc, O. V.; Iovu, M. S.; Cojocaru, I. A.; Prisacar, A. M.

    2015-02-01

    Amorphous arsenic trisulfide (As2S3) and arsenic triselenide (As2Se3) are among widely investigated amorphous materials due to its interesting electrical, optical and photoelectrical properties. In order to improve the physical properties and recording characteristics, and to extend the spectral range of photosensibility, a special interest represents the mixed amorphous materials, like (As2S3):(As2Se3). Chalcogenide vitreous semiconductors (ChVS) of the As-S-Se system exhibit photostructural transformations with reversible and irreversible properties, and are promising materials as registration media for holography and optical information, for fabrication of diffractive elements, and other optoelectronic applications. Because many optoelectronic devices on amorphous semiconductors are based on the photoconductivity effect, special interests represent investigation of the stationary and non-stationary characteristics of photoconductivity. In this paper the experimental results of steady-state photoconductivity and holographic characteristics of amorphous (As4S3Se3)1-x:Snx thin films are presented. It was shown that the photoconductivity spectra depend on the polarity on the top illuminated electrode and on the Sn concentration in the host glass. The photosensitivity of amorphous ((As4S3Se3)1-x:Snx thin films is almost constant for all Sn-containing glasses. The Moss rule was used for determination of the optical forbidden gap Eg from the photoconductivity spectra. It was demonstrated that the investigated amorphous films are sensitive to the light irradiation and can be used as effective registration media for holographic information. The relaxation of photodarkening in amorphous (As4S3Se3)1-x:Snx thin films was investigated and was shown that the relaxation curves of transmittance T/T0 = f(t) can be described the stretch exponential function T(t)/T(0) = A0+Aexp[-(t-t0)/τ] (1-β) . The kinetics of diffraction efficiency growth η(t) was measured by registration of

  2. Solid state amorphization in the Al-Fe binary system during high energy milling

    Energy Technology Data Exchange (ETDEWEB)

    Urban, P., E-mail: purban@us.es; Montes, J. M.; Cintas, J. [University of Seville, Department of Mechanical and Materials Engineering, ETSI, Camino de los Descubrimientos s/n, Seville, 41092 (Spain); Cuevas, F. G., E-mail: fgcuevas@dqcm.uhu.es [University of Huelva, Department of Chemistry and Materials Science, ETSI, Campus La Rábida, Carretera Palos s/n, Palos de la Frontera, Huelva, 21819 (Spain)

    2013-12-16

    In the present study, mechanical alloying (MA) of Al75Fe25 elemental powders mixture was carried out in argon atmosphere, using a high energy attritor ball mill. The microstructure of the milled products at different stages of milling was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and differential scanning calorimetry (DSC). The results showed that the amorphous phase content increased by increasing the milling time, and after 50 hours the amorphization process became complete. Heating the samples resulted in the crystallization of the synthesized amorphous alloys and the appearance of the equilibrium intermetallic compounds Al{sub 5}Fe{sub 2}.

  3. Anode properties of silicon-rich amorphous silicon suboxide films in all-solid-state lithium batteries

    Science.gov (United States)

    Miyazaki, Reona; Ohta, Narumi; Ohnishi, Tsuyoshi; Takada, Kazunori

    2016-10-01

    This paper reports the effects of introducing oxygen into amorphous silicon films on their anode properties in all-solid-state lithium batteries. Although poor cycling performance is a critical issue in silicon anodes, it has been effectively improved by introducing even a small amount of oxygen, that is, even in Si-rich amorphous silicon suboxide (a-SiOx) films. Because of the small amount of oxygen in the films, high cycling performance has been achieved without lowering the capacity and power density: an a-Si film delivers discharge capacity of 2500 mAh g-1 under high discharge current density of 10 mA cm-2 (35 C). These results demonstrate that a-SiOx is a promising candidate for high-capacity anode materials in solid-state batteries.

  4. Hydrogen Bonding Interactions in Amorphous Indomethacin and Its Amorphous Solid Dispersions with Poly(vinylpyrrolidone) and Poly(vinylpyrrolidone-co-vinyl acetate) Studied Using (13)C Solid-State NMR.

    Science.gov (United States)

    Yuan, Xiaoda; Xiang, Tian-Xiang; Anderson, Bradley D; Munson, Eric J

    2015-12-01

    Hydrogen bonding interactions in amorphous indomethacin and amorphous solid dispersions of indomethacin with poly(vinylpyrrolidone), or PVP, and poly(vinylpyrrolidone-co-vinyl acetate), or PVP/VA, were investigated quantitatively using solid-state NMR spectroscopy. Indomethacin that was (13)C isotopically labeled at the carboxylic acid carbon was used to selectively analyze the carbonyl region of the spectrum. Deconvolution of the carboxylic acid carbon peak revealed that 59% of amorphous indomethacin molecules were hydrogen bonded through carboxylic acid cyclic dimers, 15% were in disordered carboxylic acid chains, 19% were hydrogen bonded through carboxylic acid and amide interactions, and the remaining 7% were free of hydrogen bonds. The standard dimerization enthalpy and entropy of amorphous indomethacin were estimated to be -38 kJ/mol and -91 J/(mol · K), respectively, using polystyrene as the "solvent". Polymers such as PVP and PVP/VA disrupted indomethacin self-interactions and formed hydrogen bonds with the drug. The carboxylic acid dimers were almost completely disrupted with 50% (wt) of PVP or PVP/VA. The fraction of disordered carboxylic acid chains also decreased as the polymer content increased. The solid-state NMR results were compared with molecular dynamics (MD) simulations from the literature. The present work highlights the potential of (13)C solid-state NMR to detect and quantify various hydrogen bonded species in amorphous solid dispersions as well as to serve as an experimental validation of MD simulations.

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

    Institute of Scientific and Technical Information of China (English)

    Fakhri Yousefi; Hajir Karimi; Maryam Gomar

    2015-01-01

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

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

    Directory of Open Access Journals (Sweden)

    K. J. Baustian

    2012-10-01

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

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

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

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

  7. Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor: structure, tail states and strain effects

    Science.gov (United States)

    de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

    2015-11-01

    We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen-metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced

  8. Gap states in the electronic structure of SnO2 single crystals and amorphous SnOx thin films

    Science.gov (United States)

    Haeberle, J.; Machulik, S.; Janowitz, C.; Manzke, R.; Gaspar, D.; Barquinha, P.; Schmeißer, D.

    2016-09-01

    The electronic structure of a SnO2 single crystal is determined by employing resonant photoelectron spectroscopy. We determine the core level, valence band, and X-ray absorption (XAS) data and compare these with those of amorphous SnOx thin films. We find similar properties concerning the data of the core levels, the valence band features, and the absorption data at the O1s edge. We find strong signals arising from intrinsic in-gap states and discuss their origin in terms of polaronic and charge-transfer defects. We deduce from the XAS data recorded at the Sn3d edge that the Sn4d10 ground state has contributions of 4d9 and 4d8 states due to configuration interaction. We identify localized electronic states depending on the strength of the 4d-5s5p interaction and of the O2p-to-Sn4d charge-transfer processes, both appear separated from the extended band-like states of the conduction band. For the amorphous SnOx thin films, significant differences are found only in the absorption data at the Sn3d-edge due to a stronger localization of the in-gap states.

  9. Solid-state properties and dissolution behaviour of tablets containing co-amorphous indomethacin-arginine

    DEFF Research Database (Denmark)

    Lenz, Elisabeth; Jensen, Katrine Birgitte Tarp; Blaabjerg, Lasse Ingerslev;

    2015-01-01

    –arginine in a larger production scale. In this work, a tablet formulation was developed for a co-amorphous salt, namely spray dried indomethacin–arginine (SD IND–ARG). The effects of compaction pressure on tablet properties, physical stability and dissolution profiles under non-sink conditions were examined...

  10. Corrosion resistant amorphous alloys

    International Nuclear Information System (INIS)

    A review of publication data on corrosion resistance of amorphous alloys and the methods of amorphization of surface layers of massive materials (laser treatment, iron implantation, detonation-gas spraying, cathode and ion sputtering, electrodeposition) was made. A study was made on corrosion properties of Fe66Cr11B10Si4 alloy in cast state and after laser irradiation, rendering the surface amorphous as well as the samples of Arenco iron and steel 20 with ion-plasma coatings of Fe-Cr-Ni-Ti alloy. It was established that amorphous coatings posses much higher corrosion resistance as compared to crystalline alloys on the same base

  11. Amorphous chalcogenide semiconductors for solid state dosimetric systems of high-energetic ionizing radiation

    Energy Technology Data Exchange (ETDEWEB)

    Shpotyuk, O. [Pedagogical University, Czestochowa (Poland)]|[Institute of Materials, Lvov (Ukraine)

    1997-12-31

    The application possibilities of amorphous chalcogenide semiconductors use as radiation-sensitive elements of high-energetic (E > 1 MeV) dosimetric systems are analysed. It is shown that investigated materials are characterized by more wide region of registered absorbed doses and low temperature threshold of radiation information bleaching in comparison with well-known analogies based on coloring oxide glasses. (author). 16 refs, 1 tab.

  12. Electronic state modification in laser deposited amorphous carbon films by the inclusion of nitrogen

    OpenAIRE

    Y. Miyajima; Adamopoulos, G; Henley, SJ; V.Stolojan; Tison, Y; Garcia-Caurel, E; Drevillon, B.; Shannon, JM; Silva, SRP

    2008-01-01

    In this study, we investigate the effect of the inclusion of nitrogen in amorphous carbon thin films deposited by pulsed laser deposition, which results in stress induced modifications to the band structure and the concomitant changes to the electronic transport properties. The microstructural changes due to nitrogen incorporation were examined using electron energy-loss spectroscopy and Raman scattering. The band structure was investigated using spectroscopic ellipsometry data in the range o...

  13. Solid state photochemistry. Subpanel A-2(b): Metastability in hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, D. [Solarex Corporation, Newton, PA (United States)

    1996-09-01

    All device quality amorphous silicon based materials exhibit degradation in electronic properties when exposed to sunlight. The photo-induced defects are associated with Si dangling bonds that are created by the recombination and/or trapping of photogenerated carriers. The defects are metastable and can be annealed out at temperatures of about 150 to 200 degrees Centigrade. The density of metastable defects is larger in films that are contaminated with > 10{sup 19} per cubic cm of impurities such as oxygen, carbon and nitrogen. However, recent experimental results indicate that some metastable defects are still present in films with very low impurity concentrations. The photo-induced defects typically saturate after 100 to 1000 hours of exposure to one sun illumination depending on the deposition conditions. There is also experimental evidence that photo-induced structural changes are occurring in the amorphous silicon based materials and that hydrogen may be playing an important role in both the photo-induced structural changes and in the creation of metastable defects.

  14. Nuclear magnetic resonance studies of DNP-ready trehalose obtained by solid state mechanochemical amorphization.

    Science.gov (United States)

    Filibian, M; Elisei, E; Colombo Serra, S; Rosso, A; Tedoldi, F; Cesàro, A; Carretta, P

    2016-06-22

    (1)H nuclear spin-lattice relaxation and Dynamic Nuclear Polarization (DNP) have been studied in amorphous samples of trehalose sugar doped with TEMPO radicals by means of mechanical milling, in the 1.6-4.2 K temperature range. The radical concentration was varied between 0.34 and 0.81%. The highest polarization of 15% at 1.6 K, observed in the sample with concentration 0.50%, is of the same order of magnitude of that reported in standard frozen solutions with TEMPO. The temperature and concentration dependence of the spin-lattice relaxation rate 1/T1, dominated by the coupling with the electron spins, were found to follow power laws with an exponent close to 3 in all samples. The observed proportionality between 1/T1 and the polarization rate 1/Tpol, with a coefficient related to the electron polarization, is consistent with the presence of Thermal Mixing (TM) and a good contact between the nuclear and the electron spins. At high electron concentration additional relaxation channels causing a decrease in the nuclear polarization must be considered. These results provide further support for a more extensive use of amorphous DNP-ready samples, obtained by means of comilling, in dissolution DNP experiments and possibly for in vivo metabolic imaging.

  15. Structural and band tail state photoluminescence properties of amorphous SiC films with different amounts of carbon

    Institute of Scientific and Technical Information of China (English)

    Fu Guang-Sheng; Wang Xin-Zhan; Lu Wan-Bing; Dai Wan-Le; Li Xing-Kuo; Yu Wei

    2012-01-01

    Amorphous silicon carbide films are deposited by the plasma enhanced chemical vapour deposition technique,and optical emissions from the near-infrared to the visible are obtained.The optical band gap of the films increases from 1.91 eV to 2.92 eV by increasing the carbon content,and the photoluminescence (PL) peak shifts from 1.51 eV to 2.16 eV.The band tail state PL mechanism is confirmed by analysing the optical band gap,PL intensity,the Stocks shift of the PL,and the Urbach energy of the film.The PL decay times of the samples are in the nanosecond scale,and the dependence of the PL lifetime on the emission energy also supports that the optical emission is related to the radiative recombination in the band tail state.

  16. Processing Bi-Pb-Sr-Ca-Cu-O superconductors from amorphous state

    Science.gov (United States)

    Chiang, C. K.; Freiman, S. W.; Wong-Ng, W.; Hwang, N. M.; Shapiro, A. J.; Hill, M. D.; Cook, L. P.; Shull, R. D.; Swartzendruber, L. J.; Bennett, L. H.

    1990-01-01

    Researchers produced superconducting ceramics of the Bi-Pb-Sr-Ca-Cu-O system started from a glass. To form the glass, the mixed oxide powder was melted at 1200 C in air. The liquid was quenched rapidly by pouring it onto an aluminum plate and rapidly pressing with another plate. The quenched compound was in the form of black amorphous solid, whose x-ray powder pattern has no crystalline peaks. After heat treatment at high temperatures, the glass crystallized into a superconductor. The crystalline phases in the superconductor identified using x-ray diffraction patterns. These phases were that associated with the superconducting phases of T(sub c) = 80 K (Bi2Ca1Sr2Cu2Ox) and of T(sub c) = 110 K (Bi2Ca2Sr2Cu3Ox). The dc resistivity and the ac susceptibility of these superconductors were studied.

  17. Effective interface state effects in hydrogenated amorphous-crystalline silicon heterostructures using ultraviolet laser photocarrier radiometry

    Science.gov (United States)

    Melnikov, A.; Mandelis, A.; Halliop, B.; Kherani, N. P.

    2013-12-01

    Ultraviolet photocarrier radiometry (UV-PCR) was used for the characterization of thin-film (nanolayer) intrinsic hydrogenated amorphous silicon (i-a-Si:H) on c-Si. The small absorption depth (approximately 10 nm at 355 nm laser excitation) leads to strong influence of the nanolayer parameters on the propagation and recombination of the photocarrier density wave (CDW) within the layer and the substrate. A theoretical PCR model including the presence of effective interface carrier traps was developed and used to evaluate the transport parameters of the substrate c-Si as well as those of the i-a-Si:H nanolayer. Unlike conventional optoelectronic characterization methods such as photoconductance, photovoltage, and photoluminescence, UV-PCR can be applied to more complete quantitative characterization of a-Si:H/c-Si heterojunction solar cells, including transport properties and defect structures. The quantitative results elucidate the strong effect of a front-surface passivating nanolayer on the transport properties of the entire structure as the result of effective a-Si:H/c-Si interface trap neutralization through occupation. A further dramatic improvement of those properties with the addition of a back-surface passivating nanolayer is observed and interpreted as the result of the interaction of the increased excess bulk CDW with, and more complete occupation and neutralization of, effective front interface traps.

  18. Effective interface state effects in hydrogenated amorphous-crystalline silicon heterostructures using ultraviolet laser photocarrier radiometry

    Energy Technology Data Exchange (ETDEWEB)

    Melnikov, A. [Center for Advanced Diffusion-Wave Technologies (CADIFT), Department of Mechanical and Industrial Engineering, University of Toronto, Toronto, Ontario M5S 3G8 (Canada); Mandelis, A. [Center for Advanced Diffusion-Wave Technologies (CADIFT), Department of Mechanical and Industrial Engineering, University of Toronto, Toronto, Ontario M5S 3G8 (Canada); Electrical and Computer Engineering, University of Toronto, Toronto, Ontario M5S 3G4 (Canada); Halliop, B.; Kherani, N. P. [Electrical and Computer Engineering, University of Toronto, Toronto, Ontario M5S 3G4 (Canada)

    2013-12-28

    Ultraviolet photocarrier radiometry (UV-PCR) was used for the characterization of thin-film (nanolayer) intrinsic hydrogenated amorphous silicon (i-a-Si:H) on c-Si. The small absorption depth (approximately 10 nm at 355 nm laser excitation) leads to strong influence of the nanolayer parameters on the propagation and recombination of the photocarrier density wave (CDW) within the layer and the substrate. A theoretical PCR model including the presence of effective interface carrier traps was developed and used to evaluate the transport parameters of the substrate c-Si as well as those of the i-a-Si:H nanolayer. Unlike conventional optoelectronic characterization methods such as photoconductance, photovoltage, and photoluminescence, UV-PCR can be applied to more complete quantitative characterization of a-Si:H/c-Si heterojunction solar cells, including transport properties and defect structures. The quantitative results elucidate the strong effect of a front-surface passivating nanolayer on the transport properties of the entire structure as the result of effective a-Si:H/c-Si interface trap neutralization through occupation. A further dramatic improvement of those properties with the addition of a back-surface passivating nanolayer is observed and interpreted as the result of the interaction of the increased excess bulk CDW with, and more complete occupation and neutralization of, effective front interface traps.

  19. Influence of solid-state acidity on the decomposition of sucrose in amorphous systems II (effect of buffer).

    Science.gov (United States)

    Alkhamis, Khouloud A

    2009-04-01

    It was of interest to investigate the solid-state acidity using indicator probe molecules and sucrose degradation. Amorphous samples containing lactose, sucrose, buffers (citrate, malate, tartarate, or phosphate) with different pH values, and sodium chloride (to adjust the ionic strength) were prepared by freeze-drying. The lyophiles were characterized using powder X-ray diffraction, differential scanning calorimetry, and Karl Fischer titrimetry. The solid-state acidity of all lyophiles was measured using diffuse reflectance spectroscopy and suitable indicators (thymol blue or bromophenol blue). Selected lyophiles were subjected to a temperature of 60 degrees C and were analyzed for sucrose degradation using the Trinder kit. The results obtained from this study have shown that good correlation can be obtained between the solid-state acidity and the molar ratio of the salt and the acid in solution. The degradation of sucrose in the lyophiles is extremely sensitive to the solid-state acidity and might be able to provide a better estimate for the acidity than the indicator probe molecules. The Hammett acidity-rate profile for sucrose degradation in the lyophiles (using four different buffers) was also obtained. The profile showed similarity to the pH-rate profile in solution, and no buffer catalysis for sucrose degradation was detected in this study. PMID:19016102

  20. 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.

  1. Electric and magnetic properties of Al86Ni8R6 (R=Sm, Gd, Ho) alloys in liquid and amorphous states

    Science.gov (United States)

    Sidorov, V.; Svec, P.; Svec, P.; Janickovic, D.; Mikhailov, V.; Sidorova, E.; Son, L.

    2016-06-01

    Electrical resistivity and magnetic susceptibility of Al86Ni8Sm6, Al86Ni8Gd6 and Al86Ni8Ho6 alloys are studied in a wide temperature range including amorphous, crystalline and liquid states. The negative value of resistivity temperature coefficient in amorphous ribbons is explained by the structural separation starting much before the beginning of their crystallization. The effective magnetic moments per Gd and Ho atoms are found to be essentially lower than for R3+ ions. The results are discussed in supposition of directed bonds between rare earth and aluminum atoms.

  2. The local physical structure of amorphous hydrogenated boron carbide: insights from magic angle spinning solid-state NMR spectroscopy.

    Science.gov (United States)

    Paquette, Michelle M; Li, Wenjing; Sky Driver, M; Karki, Sudarshan; Caruso, A N; Oyler, Nathan A

    2011-11-01

    Magic angle spinning solid-state nuclear magnetic resonance spectroscopy techniques are applied to the elucidation of the local physical structure of an intermediate product in the plasma-enhanced chemical vapour deposition of thin-film amorphous hydrogenated boron carbide (B(x)C:H(y)) from an orthocarborane precursor. Experimental chemical shifts are compared with theoretical shift predictions from ab initio calculations of model molecular compounds to assign atomic chemical environments, while Lee-Goldburg cross-polarization and heteronuclear recoupling experiments are used to confirm atomic connectivities. A model for the B(x)C:H(y) intermediate is proposed wherein the solid is dominated by predominantly hydrogenated carborane icosahedra that are lightly cross-linked via nonhydrogenated intraicosahedral B atoms, either directly through B-B bonds or through extraicosahedral hydrocarbon chains. While there is no clear evidence for extraicosahedral B aside from boron oxides, ∼40% of the C is found to exist as extraicosahedral hydrocarbon species that are intimately bound within the icosahedral network rather than in segregated phases.

  3. The local physical structure of amorphous hydrogenated boron carbide: insights from magic angle spinning solid-state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Paquette, Michelle M; Sky Driver, M; Karki, Sudarshan; Caruso, A N [Department of Physics, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Li Wenjing; Oyler, Nathan A, E-mail: oylern@umkc.edu [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States)

    2011-11-02

    Magic angle spinning solid-state nuclear magnetic resonance spectroscopy techniques are applied to the elucidation of the local physical structure of an intermediate product in the plasma-enhanced chemical vapour deposition of thin-film amorphous hydrogenated boron carbide (B{sub x}C:H{sub y}) from an orthocarborane precursor. Experimental chemical shifts are compared with theoretical shift predictions from ab initio calculations of model molecular compounds to assign atomic chemical environments, while Lee-Goldburg cross-polarization and heteronuclear recoupling experiments are used to confirm atomic connectivities. A model for the B{sub x}C:H{sub y} intermediate is proposed wherein the solid is dominated by predominantly hydrogenated carborane icosahedra that are lightly cross-linked via nonhydrogenated intraicosahedral B atoms, either directly through B-B bonds or through extraicosahedral hydrocarbon chains. While there is no clear evidence for extraicosahedral B aside from boron oxides, {approx}40% of the C is found to exist as extraicosahedral hydrocarbon species that are intimately bound within the icosahedral network rather than in segregated phases. (paper)

  4. Effect of polymers and media type on extending the dissolution of amorphous pioglitazone and inhibiting the recrystallization from a supersaturated state.

    Science.gov (United States)

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

    2014-08-01

    Amorphous forms of crystalline drug are widely utilized for bioavailability enhancement of low solubility drugs in the pharmaceutical industry. Polymers have been found to be effective crystallization inhibitors for amorphous forms in solid states during storage or in liquid states during dissolution process. The dissolution and crystallization behaviors of these amorphous forms in the presence or absence of polymers are still far from adequately understood especially in different dissolution environments. The objective of this study was to investigate the effects of polymers and media type on extending the dissolution of amorphous pioglitazone and inhibiting the recrystallization from a supersaturated state. Polyvinylpyrrolidone K30 (PVPK30), polyvinylpyrrolidone K90 (PVPK90), polyethylene glycol 6000 (PEG6000), polyethylene-polypropylene glycol 188 (F-68), hydroxypropylmethylcellulose (HPMC) and beta-cyclodextrin (β-CD) were employed to understand these behaviors changes because these polymers were used widely. Three solutions including neutral water and phosphate buffer solutions (PBS, pH6.8 and pH7.4) were adopted as dissolution media to determine the behaviors changes comprehensively. In the presence of polymers, dissolution and solubility were extended to different degrees in three media. Polymers can delay the crystallization routes dependently of the medium type. Buffer salts in media reduced the dissolution and accelerated the crystallization process. Crystallization inhibition of these polymers was strongly dependent on the type and pH of media. HPMC displayed the strongest crystallization inhibition effects, resulting in the greatest degree of maintaining a supersaturated state that can sustain most effectively for biologically relevant timeframes.

  5. Reduction of tail state on boron doped hydrogenated amorphous silicon oxide films prepared at high hydrogen dilution.

    Science.gov (United States)

    Park, Jinjoo; Iftiquar, S M; Lee, Sunwha; Park, Hyeongsik; Shin, Chonghoon; Jung, Junhee; Lee, Youn-Jung; Balaji, Nagarajan; Yi, Junsin

    2013-12-01

    In this report, we have investigated on the defect state of diborane (B2H6) doped wide bandgap hydrogenated amorphous silicon oxide (p-type a-SiO:H) films prepared using silane (SiH4), hydrogen (H2) and nitrous oxide (N2O) in a radio frequency (RF) plasma enhanced chemical vapor deposition (PECVD) system with different hydrogen dilutions. The films prepared with higher hydrogen dilution show lower Urbach energy (Eu), lower microstructure (R*), lower short and medium range disorder (omegaTO, Gamma(TO), I(TA)/I(TO), I(LA)/I(TO)), higher dark conductivity (sigma d) and higher refractive index (n) with high optical gap (Eg). Eu decreases from 248 meV to 153 meV, and R* decreases from 0.46 to 0.26, Raman peak omegaTO-TO mode position shifts from 480.24 to 483.28, GammaTO-full width half maximum of omegaTO decreases from 78.16 to 63.87, I(TA)/I(TO)-the ratio of integrated area of TA and TO mode decreases from 0.624 to 0.474, I(LA)/I(TO)-the ratio of integrated area of LA and TO mode deceases from 0.272 to 0.151, sigma d increases from 4.6 x 10(-7) S/cm to 1.1 x 10(-6) S/cm, n increases from 3.70 to 3.86. Reduced Nd, Eu and R* at wide Eg indicates that the films are more useful for solar cell window layer. Applying this layer to a single junction solar cell shows open circuit voltage (Voc) = 0.80 V, short circuit current density (Jsc) = 16.3 mA/cm2, fill factor (FF) = 72%, efficiency (eta) = 9.4%. PMID:24266147

  6. Effect of temperature and magnetic fields on the structural state of the Fe-Zr-B amorphous alloy below crystallization temperature

    Directory of Open Access Journals (Sweden)

    Fedotova N.L.

    2011-05-01

    Full Text Available Amorphous materials give the possibility to observe the phase and structural transformations in sufficiently narrow temperature intervals with the retention of their unchanged chemical composition. The present report is concerned with the results of the study of structure evolution and its dependence on magnetic field upon heating in the Fe-Zr-B amorphous alloy by the method of the photometric analysis of structural images (PHASI. The PHASI method makes it possible to establish the effect of external temperature and magnetic fields on the brightness spectra of the reflection from the surface of the object under study and the distribution of the zones, in which these changes are localized. The established temperature dependence of the energy characteristics of the reflection brightness spectrum in arbitrary units indicates the complex structural transformations caused by heating of the alloy under study. Also it is shown that the magnetic field produces residual structural changes in the alloy in comparison with its initial state

  7. Structure analyses using X-ray photoelectron spectroscopy and X-ray absorption near edge structure for amorphous MS3 (M: Ti, Mo) electrodes in all-solid-state lithium batteries

    Science.gov (United States)

    Matsuyama, Takuya; Deguchi, Minako; Mitsuhara, Kei; Ohta, Toshiaki; Mori, Takuya; Orikasa, Yuki; Uchimoto, Yoshiharu; Kowada, Yoshiyuki; Hayashi, Akitoshi; Tatsumisago, Masahiro

    2016-05-01

    Electronic structure changes of sulfurs in amorphous TiS3 and MoS3 for positive electrodes of all-solid-state lithium batteries are examined by X-ray photoelectron spectroscopy (XPS) and the X-ray absorption near edge structure (XANES). The all-solid-state cell with amorphous TiS3 electrode shows the reversible capacity of about 510 mAh g-1 for 10 cycles with sulfur-redox in amorphous TiS3 during charge-discharge process. On the other hand, the cell with amorphous MoS3 shows the 1st reversible capacity of about 720 mAh g-1. The obtained capacity is based on the redox of both sulfur and molybdenum in amorphous MoS3. The irreversible capacity of about 50 mAh g-1 is observed at the 1st cycle, which is attributed to the irreversible electronic structure change of sulfur during the 1st cycle. The electronic structure of sulfur in amorphous MoS3 after the 10th charge is similar to that after the 1st charge. Therefore, the all-solid-state cell with amorphous MoS3 electrode shows relatively good cyclability after the 1st cycle.

  8. Synthesis and characterisation of composite based biohydroxyapatite bovine bone mandible waste (BHAp) doped with 10 wt % amorphous SiO2 from rice husk by solid state reaction

    Science.gov (United States)

    Asmi, Dwi; Sulaiman, Ahmad; Oktavia, Irene Lucky; Badaruddin, Muhammad; Zulfia, Anne

    2016-04-01

    Effect of 10 wt% amorphous SiO2 from rice husk addition on the microstructures of biohydroxyapatite (BHAp) obtained from bovine bone was synthesized by solid state reaction. In this study, biohydroxyapatite powder was obtained from bovine bone mandible waste heat treated at 800 °C for 5 h and amorphous SiO2 powder was extracted from citric acid leaching of rice husk followed by combustion at 700°C for 5 h. The composite powder then mixed and sintered at 1200 °C for 3 h. X-ray diffraction (XRD), Fourier transformed infrared (FTIR) spectroscopy and Scanning electron microscopy (SEM) techniques are utilized to characterize the phase relations, functional group present and morphology of the sample. The study has revealed that the processing procedures played an important role in microstructural development of BHAp-10 wt% SiO2 composite. The XRD study of the raw material revealed that the primary phase material in the heat treated of bovine bone mandible waste is hydroxyapatite and in the combustion of rice husk is amorphous SiO2. However, in the composite the hydroxyapatite, β-tricalcium phosphate, and calcium phosphate silicate were observed. The FTIR result show that the hydroxyl stretching band in the composite decrease compared with those of hydroxyapatite spectra and the evolution of morphology was occurred in the composite.

  9. Ultrafast optical response of the amorphous and crystalline states of the phase change material Ge2Sb2Te5

    Science.gov (United States)

    Miller, T. A.; Rudé, M.; Pruneri, V.; Wall, S.

    2016-07-01

    We examine the ultrafast optical response of the crystalline and amorphous phases of the phase change material Ge2Sb2Te5 (GST) below the phase transformation threshold. Simultaneous measurement of the transmissivity and reflectivity of thin film samples yields the time-dependent evolution of the dielectric function for both phases. We then identify how lattice motion and electronic excitation manifest in the dielectric response. The dielectric response of both phases is large but markedly different. At 800 nm, the changes in amorphous GST are well described by the Drude response of the generated photocarriers, whereas the crystalline phase is better described by the depopulation of resonant bonds. We find that the generated coherent phonons have a greater influence in the amorphous phase than the crystalline phase. Furthermore, coherent phonons do not influence resonant bonding. For fluences up to 50% of the transformation threshold, the structure does not exhibit bond softening in either phase, enabling large changes of the optical properties without structural modification.

  10. Solvent-shift strategy to identify suitable polymers to inhibit humidity-induced solid-state crystallization of lacidipine amorphous solid dispersions.

    Science.gov (United States)

    Sun, Mengchi; Wu, Chunnuan; Fu, Qiang; Di, Donghua; Kuang, Xiao; Wang, Chao; He, Zhonggui; Wang, Jian; Sun, Jin

    2016-04-30

    The solvent-shift strategy was used to identify appropriate polymers that inhibit humidity-induced solid-state crystallization of amorphous solid dispersions (ASDs). Lacidipine with the polymers, PVP-K30, HPMC-E5 or Soluplus, were combined to form amorphous solid dispersions prepared by solvent evaporation. The formulations were characterized by differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and Fourier-transform infrared spectroscopy (FT-IR) and were subjected to in vitro dissolution testing. The moisture had a significant impact on the amount dissolved for the solid dispersions. Molecular docking studies established that hydrogen bonding was critical for the stabilization of the solid dispersions. The rank order of the binding energy of the drug-polymer association was Soluplus (-6.21 kcal/mol)>HPMC-E5 (-3.21 kcal/mol)>PVP-K30 (-2.31 kcal/mol). PVP-K30 had the highest water uptake among the polymers, as did ASD system of lacidipine-PVP-K30 ASDs. In the Soluplus ASDs, with its strong drug-polymer interactions and low water uptake, moisture-induced solid-state crystallization was not observed.

  11. Development of hot melt co-formulated antimalarial solid dispersion system in fixed dose form (ARLUMELT): Evaluating amorphous state and in vivo performance.

    Science.gov (United States)

    Fule, Ritesh; Dhamecha, Dinesh; Maniruzzaman, Mohammed; Khale, Anubha; Amin, Purnima

    2015-12-30

    The aim of this study was to investigate the industrial feasibility of developing a co-formulated solid dispersion (SD) containing two antimalarial drugs artemether (ARTM) and lumefantrine (LUMF). Soluplus(®) (polyethyleneglycol-polyvinyl caprolactam-polyvinyl acetate grafted copolymer) was used as primary carrier matrices via hot-melt extrusion processing to improve solubility profile and the oral bioavailability of the combination. Based on the preliminary screening, the optimized quantities of PEG 400, Lutrol F127 and Lutrol F68 were incorporated as surfactant with soluplus in different ratios to improve extrudability, increase wettability and the melt viscosity of the HME process. Soluplus(®) was proved to successfully stabilize both the drugs inside its polymeric network during extrusion via forming a stable solid dispersion. Physicochemical properties of the APIs and the SDs characterized by thermo-gravimetric analysis (TGA), differential scanning calorimetry (DSC), MDSC, FTIR spectroscopy and X-ray diffractometry (XRD) revealed the amorphous existence of the drug in all SDs developed. Molecular level morphology of solid dispersion characterized by using advanced physicochemical characterization techniques such as Raman spectroscopy, atomic force microscopy (AFM) and 2D NMR showed the transformation of the crystalline drugs to its stable amorphous state. All manufactured SDs retained their amorphicity even after a stability study conducted in accelerated condition over 6 months. The solubility and in vitro dissolution performance of both drugs in SD formulations was improved significantly when compared with pure drugs and marketed product while the in vivo studies revealed the same.The pharmacokinetic studies in rats revealed that the SD (AL1) shows a 44.12-65.24 folds increase in the AUC(0-72) and 42.87-172.61 folds increase in Cmax compared to that of pure drugs and a better bioavailability than that of commercial product. PMID:26471056

  12. Modeling of current–voltage characteristics for dual-gate amorphous silicon thin-film transistors considering deep Gaussian density-of-state distribution

    International Nuclear Information System (INIS)

    Accounting for the deep Gaussian and tail exponential distribution of the density of states, a physical approximation for potentials of amorphous silicon thin-film transistors using a symmetric dual gate (sDG a-Si:H TFT) has been presented. The proposed scheme provides a complete solution of the potentials at the surface and center of the layer without solving any transcendental equations. A channel current model incorporating features of gate voltage-dependent mobility and coupling factor is derived. We show the parameters required for accurately describing the current–voltage (I–V) characteristics of DG a-Si:H TFT and just how sensitively these parameters affect TFT current. Particularly, the parameters' dependence on the I–V characteristics with respect to the density of deep state and channel thickness has been investigated in detail. The resulting scheme and model are successively verified through comparison with numerical simulations as well as the available experimental data. (paper)

  13. Generic origin of subgap states in transparent amorphous semiconductor oxides illustrated for the cases of In-Zn-O and In-Sn-O

    Energy Technology Data Exchange (ETDEWEB)

    Koerner, Wolfgang; Urban, Daniel F.; Elsaesser, Christian [Fraunhofer Institute for Mechanics of Materials IWM, Woehlerstr. 11, 79108, Freiburg (Germany)

    2015-07-15

    We present a microscopic interpretation for the appearance and behaviour of subgap states in stoichiometric and oxygen-deficient, amorphous In-Zn-O (a-IZO) and In-Sn-O (a-ITO) derived from a density functional theory analysis using a self-interaction-correction scheme. Our findings concerning the defect structures and the resulting deep levels are qualitatively similar to earlier results on a-IGZO and a-ZTO and in agreement with recent experimental results. Based on our extensive set of DFT results for In-, Sn-, Zn- based oxides we develop a general concept of the subgap states which is applicable to these systems. Electronic defect levels in the lower half of the band gap are created by undercoordinated oxygen atoms while local oxygen deficiencies cause defect levels in the upper part of the band gap. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Robust topological surface states of Bi2Se3 thin films on amorphous SiO2/Si substrate and a large ambipolar gating effect

    Science.gov (United States)

    Bansal, Namrata; Koirala, Nikesh; Brahlek, Matthew; Han, Myung-Geun; Zhu, Yimei; Cao, Yue; Waugh, Justin; Dessau, Daniel S.; Oh, Seongshik

    2014-06-01

    The recent emergence of topological insulators (TI) has spurred intensive efforts to grow TI thin films on various substrates. However, little is known about how robust the topological surface states (TSS) are against disorders and other detrimental effects originating from the substrates. Here, we report the observation of a well-defined TSS on Bi2Se3 films grown on amorphous SiO2 (a-SiO2) substrates and a large gating effect on these films using the underneath doped-Si substrate as the back gate. The films on a-SiO2 were composed of c-axis ordered but random in-plane domains. However, despite the in-plane randomness induced by the amorphous substrate, the transport properties of these films were superior to those of similar films grown on single-crystalline Si(111) substrates, which are structurally better matched but chemically reactive with the films. This work sheds light on the importance of chemical compatibility, compared to lattice matching, for the growth of TI thin films, and also demonstrates that the technologically important and gatable a-SiO2/Si substrate is a promising platform for TI films.

  15. Investigation of Phase Mixing in Amorphous Solid Dispersions of AMG 517 in HPMC-AS Using DSC, Solid-State NMR, and Solution Calorimetry.

    Science.gov (United States)

    Calahan, Julie L; Azali, Stephanie C; Munson, Eric J; Nagapudi, Karthik

    2015-11-01

    Intimate phase mixing between the drug and the polymer is considered a prerequisite to achieve good physical stability for amorphous solid dispersions. In this article, spray dried amorphous dispersions (ASDs) of AMG 517 and HPMC-as were studied by differential scanning calorimetry (DSC), solid-state NMR (SSNMR), and solution calorimetry. DSC analysis showed a weakly asymmetric (ΔTg ≈ 13.5) system with a single glass transition for blends of different compositions indicating phase mixing. The Tg-composition data was modeled using the BKCV equation to accommodate the observed negative deviation from ideality. Proton spin-lattice relaxation times in the laboratory and rotating frames ((1)H T1 and T1ρ), as measured by SSNMR, were consistent with the observation that the components of the dispersion were in intimate contact over a 10-20 nm length scale. Based on the heat of mixing calculated from solution calorimetry and the entropy of mixing calculated from the Flory-Huggins theory, the free energy of mixing was calculated. The free energy of mixing was found to be positive for all ASDs, indicating that the drug and polymer are thermodynamically predisposed to phase separation at 25 °C. This suggests that miscibility measured by DSC and SSNMR is achieved kinetically as the result of intimate mixing between drug and polymer during the spray drying process. This kinetic phase mixing is responsible for the physical stability of the ASD.

  16. Photoelectron emission yield experiments on evolution of sub-gap states in amorphous In-Ga-Zn-O thin films with post deposition hydrogen treatment

    International Nuclear Information System (INIS)

    Total photoyield emission spectroscopy (TPYS) was applied to study the evolution of sub-gap states in hydrogen-treated amorphous In-Ga-Zn-O (a-IGZO) thin films. The a-IGZO thin films were subjected to hydrogen radicals and subsequently annealed in ultra-high vacuum (UHV) conditions. A clear onset of the electron emission was observed at around 4.3 eV from the hydrogen-treated a-IGZO thin films. After successive UHV annealing at 300 °C, the onset in the TPYS spectra was shifted to 4.15 eV, and the photoelectron emission from the sub-gap states was decreased as the annealing temperature was increased. In conjunction with the results of thermal desorption spectrometer, it was deduced that the hydrogen atoms incorporated in the a-IGZO thin films induced metastable sub-gap states at around 4.3 eV from vacuum level just after the hydrogenation. It was also suggested that the defect configuration was changed due to the higher temperature UHV annealing, and that the hydrogen atoms desorbed with the involvement of Zn atoms. These experiments produced direct evidence to show the formation of sub-gap states as a result of hydrogen incorporation into the a-IGZO thin films

  17. Photoelectron emission yield experiments on evolution of sub-gap states in amorphous In-Ga-Zn-O thin films with post deposition hydrogen treatment

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Kazushi, E-mail: hayashi.kazushi@kobelco.com; Hino, Aya; Tao, Hiroaki; Ochi, Mototaka; Goto, Hiroshi; Kugimiya, Toshihiro [Electronics Research Laboratory, Kobe Steel, Ltd., 1-5-5 Takatsuka-dai, Nishi-ku, Kobe 651-2271 (Japan)

    2015-09-14

    Total photoyield emission spectroscopy (TPYS) was applied to study the evolution of sub-gap states in hydrogen-treated amorphous In-Ga-Zn-O (a-IGZO) thin films. The a-IGZO thin films were subjected to hydrogen radicals and subsequently annealed in ultra-high vacuum (UHV) conditions. A clear onset of the electron emission was observed at around 4.3 eV from the hydrogen-treated a-IGZO thin films. After successive UHV annealing at 300 °C, the onset in the TPYS spectra was shifted to 4.15 eV, and the photoelectron emission from the sub-gap states was decreased as the annealing temperature was increased. In conjunction with the results of thermal desorption spectrometer, it was deduced that the hydrogen atoms incorporated in the a-IGZO thin films induced metastable sub-gap states at around 4.3 eV from vacuum level just after the hydrogenation. It was also suggested that the defect configuration was changed due to the higher temperature UHV annealing, and that the hydrogen atoms desorbed with the involvement of Zn atoms. These experiments produced direct evidence to show the formation of sub-gap states as a result of hydrogen incorporation into the a-IGZO thin films.

  18. Modeling of current-voltage characteristics for dual-gate amorphous silicon thin-film transistors considering deep Gaussian density-of-state distribution

    Science.gov (United States)

    Jian, Qin; Ruohe, Yao

    2015-12-01

    Accounting for the deep Gaussian and tail exponential distribution of the density of states, a physical approximation for potentials of amorphous silicon thin-film transistors using a symmetric dual gate (sDG a-Si:H TFT) has been presented. The proposed scheme provides a complete solution of the potentials at the surface and center of the layer without solving any transcendental equations. A channel current model incorporating features of gate voltage-dependent mobility and coupling factor is derived. We show the parameters required for accurately describing the current-voltage (I-V) characteristics of DG a-Si:H TFT and just how sensitively these parameters affect TFT current. Particularly, the parameters' dependence on the I-V characteristics with respect to the density of deep state and channel thickness has been investigated in detail. The resulting scheme and model are successively verified through comparison with numerical simulations as well as the available experimental data. Project supported by the National Natural Science Foundation of China (No. 61274085) and the Cadence Design System, Inc.

  19. Modelling the light induced metastable effects in amorphous silicon

    OpenAIRE

    Munyeme, G.; Chinyama, G.K.; Zeman, M.; R. E. I. Schropp; Weg, W

    2008-01-01

    We present results of computer simulations of the light induced degradation of amorphous silicon solar cells. It is now well established that when amorphous silicon is illuminated the density of dangling bond states increases. Dangling bond states produce amphoteric electronic mid-gap states which act as efficient charge trapping and recombination centres. The increase in dangling bond states causes a decrease in the performance of amorphous silicon solar cells. To show this effect, a modelli...

  20. Controlling interfacial states in amorphous/crystalline LaAlO3/SrTiO3 heterostructures by electric fields

    DEFF Research Database (Denmark)

    Christensen, Dennis; Trier, Felix; Chen, Yunzhong;

    2013-01-01

    The tunable metal-insulator transition in crystalline LaAlO3/SrTiO3 heterostructures constitutes a central element in the range of remarkable interface properties that has made this oxide system subject to extensive research. Recently, metallic interfaces have also been realized when depositing...... amorphous LaAlO3 films on SrTiO3. Here, we present a non-volatile and reversible tuning of the interface conductivity by more than 3 orders of magnitude at room temperature by applying an electric field to such amorphous/crystalline heterostructures with amorphous LaAlO3 film thicknesses of 2 nm. We show...

  1. Freeze-drying synthesis of an amorphous Zn(2+) complex and its transformation to a 2-D coordination framework in the solid state.

    Science.gov (United States)

    Itakura, T; Horike, S; Inukai, M; Kitagawa, S

    2016-03-14

    An amorphous and metastable precursor for a Zn two-dimensional coordination framework was synthesised via freeze drying. The precursor comprises randomly packed discrete clusters of a Zn complex. The amorphous-to-crystalline framework transformation, which was triggered by the gentle application of heat or pressure, was accompanied by a change in the coordination geometry of the Zn(2+) ions from tetrahedral to octahedral symmetry.

  2. Iron - based bulk amorphous alloys

    Directory of Open Access Journals (Sweden)

    R. Babilas

    2010-07-01

    Full Text Available Purpose: The paper presents a structure characterization, thermal and soft magnetic properties analysis of Fe-based bulk amorphous materials in as-cast state and after crystallization process. In addition, the paper gives some brief review about achieving, formation and structure of bulk metallic glasses as a special group of amorphous materials.Design/methodology/approach: The studies were performed on Fe72B20Si4Nb4 metallic glass in form of ribbons and rods. The amorphous structure of tested samples was examined by X-ray diffraction (XRD, transmission electron microscopy (TEM and scanning electron microscopy (SEM methods. The thermal properties of the glassy samples were measured using differential thermal analysis (DTA and differential scanning calorimetry (DSC. The magnetic properties contained initial and maximum magnetic permeability, coercive force and magnetic after-effects measurements were determined by the Maxwell-Wien bridge and VSM methods.Findings: The X-ray diffraction and transmission electron microscopy investigations revealed that the studied as-cast bulk metallic glasses in form of ribbons and rods were amorphous. Two stage crystallization process was observed for studied bulk amorphous alloy. The differences of crystallization temperature between ribbons and rods with chosen thickness are probably caused by different amorphous structures as a result of the different cooling rates in casting process. The SEM images showed that studied fractures could be classified as mixed fractures with indicated two zones contained “river” and “smooth” areas. The changing of chosen soft magnetic properties (μr, Bs, Hc obtained for samples with different thickness is a result of the non-homogenous amorphous structure of tested metallic glasses. The annealing process in temperature range from 373 to 773 K causes structural relaxation of tested amorphous materials, which leads to changes in their physical properties. The qualitative

  3. Characterization of Poly-Amorphous Indomethacin by Terahertz Spectroscopy

    Science.gov (United States)

    Otsuka, Makoto; Nishizawa, Jun-ichi; Fukura, Naomi; Sasaki, Tetsuo

    2012-09-01

    Since the stability of amorphous solids of pharmaceuticals differs depending on the method of preparation, there are several solid-state chemical structures in amorphous solids, which like poly-amorphous solids might have different characteristics the same as in crystalline solids. However, it is not easy to identify the differences in solid-state characteristics between amorphous solids using conventional analytical methods, such as powder X-ray diffraction analysis, since all of the poly-amorphous solids had similar halo X-ray diffraction patterns. However, terahertz spectroscopy can distinguish the amorphous solids of indomethacin with different physicochemical properties, and is expected to provide a rapid and non-destructive qualitative analysis for the solid materials, it would be useful for the qualitative evaluation of amorphous solids in the pharmaceutical industry.

  4. Photonic crystals, amorphous materials, and quasicrystals

    International Nuclear Information System (INIS)

    Photonic crystals consist of artificial periodic structures of dielectrics, which have attracted much attention because of their wide range of potential applications in the field of optics. We may also fabricate artificial amorphous or quasicrystalline structures of dielectrics, i.e. photonic amorphous materials or photonic quasicrystals. So far, both theoretical and experimental studies have been conducted to reveal the characteristic features of their optical properties, as compared with those of conventional photonic crystals. In this article, we review these studies and discuss various aspects of photonic amorphous materials and photonic quasicrystals, including photonic band gap formation, light propagation properties, and characteristic photonic states. (focus issue)

  5. Modelling the light induced metastable effects in amorphous silicon

    NARCIS (Netherlands)

    Munyeme, G.; Chinyama, G.K.; Zeman, M.; Schropp, R.E.I.; van der Weg, W.

    2008-01-01

    We present results of computer simulations of the light induced degradation of amorphous silicon solar cells. It is now well established that when amorphous silicon is illuminated the density of dangling bond states increases. Dangling bond states produce amphoteric electronic mid-gap states which a

  6. On the dynamics of the reentrant spin-glass state of the Fe100-xZrx (x = 9, 10) amorphous alloys

    Science.gov (United States)

    Ribeiro, P. R. T.; Machado, F. L. A.; Dahlberg, E. Dan

    2015-05-01

    Low temperature magnetization (M) and ac susceptibility (χac) data were used to investigate the reentrant spin-glass state in lengths of melt-spun ribbons of Fe100-xZrx (x = 9, 10) amorphous alloys. The temperature range investigated was from 2 to 300 K, while the applied magnetic field H was varied in the range of ±85 kOe. The magnetic properties were found to be strongly influenced by the sample composition despite the fact that the amount of Fe varies by 1 at. %. For instance, the Curie temperature (TC) is reduced from 232.5 K to 213.0 K with decreasing Fe concentration, while M for the lower Fe concentration, measured at the highest applied magnetic field (H = 85 kOe) was nearly double the value for that of the higher; the coercivity in the ferromagnetic regime is reduced by a factor close to five when x is increased from 9 at. % to 10 at. %. The ac susceptibility measured for frequencies f in the range of 10-104 Hz showed a sharp drop in the magnitude of the in-phase contribution ( χa c ' ) and a peak at the out-of-phase component ( χa c ″ ), which shifts to higher temperatures with increasing values of f. The Voguel-Fulcher law applied to the χa c ″ data yielded an activation energy Ea/kB = 21.3 K (40.1 K), the glassy temperature TG = 15.5 K (38.2 K), and a relaxation time τ 0 = 9.1 × 10 - 7 s ( 8.3 × 10 - 7 s ) , for the sample with x = 10 (x = 9). A plot of χa c ″ vs χa c ' for a broad range of T and f yielded a broad maximum near the glassy temperature TG for both sample concentrations.

  7. Amorphous iron (II) carbonate

    DEFF Research Database (Denmark)

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

    2012-01-01

    Abstract The synthesis, characterization and crystallization energetics of amorphous iron (II) carbonate (AFC) are reported. AFC may form as a precursor for siderite (FeCO3). The enthalpy of crystallization (DHcrys) of AFC is similar to that of amorphous magnesium carbonate (AMC) and more...

  8. Amorphous-crystalline transition in thermoelectric NbO2

    International Nuclear Information System (INIS)

    Density functional theory was employed to design enhanced amorphous NbO2 thermoelectrics. The covalent-ionic nature of Nb–O bonding is identical in amorphous NbO2 and its crystalline counterpart. However, the Anderson localisation occurs in amorphous NbO2, which may affect the transport properties. We calculate a multifold increase in the absolute Seebeck coefficient for the amorphous state. These predictions were critically appraised by measuring the Seebeck coefficient of sputtered amorphous and crystalline NbO2 thin films with the identical short-range order. The first-order phase transition occurs at approximately 550 °C, but amorphous NbO2 possesses enhanced transport properties at all temperatures. Amorphous NbO2, reaching  −173 μV K−1, exhibits up to a 29% larger absolute Seebeck coefficient value, thereby validating the predictions. (paper)

  9. Atomic-scale disproportionation in amorphous silicon monoxide.

    Science.gov (United States)

    Hirata, Akihiko; Kohara, Shinji; Asada, Toshihiro; Arao, Masazumi; Yogi, Chihiro; Imai, Hideto; Tan, Yongwen; Fujita, Takeshi; Chen, Mingwei

    2016-01-01

    Solid silicon monoxide is an amorphous material which has been commercialized for many functional applications. However, the amorphous structure of silicon monoxide is a long-standing question because of the uncommon valence state of silicon in the oxide. It has been deduced that amorphous silicon monoxide undergoes an unusual disproportionation by forming silicon- and silicon-dioxide-like regions. Nevertheless, the direct experimental observation is still missing. Here we report the amorphous structure characterized by angstrom-beam electron diffraction, supplemented by synchrotron X-ray scattering and computer simulations. In addition to the theoretically predicted amorphous silicon and silicon-dioxide clusters, suboxide-type tetrahedral coordinates are detected by angstrom-beam electron diffraction at silicon/silicon-dioxide interfaces, which provides compelling experimental evidence on the atomic-scale disproportionation of amorphous silicon monoxide. Eventually we develop a heterostructure model of the disproportionated silicon monoxide which well explains the distinctive structure and properties of the amorphous material. PMID:27172815

  10. Atomic-scale disproportionation in amorphous silicon monoxide

    Science.gov (United States)

    Hirata, Akihiko; Kohara, Shinji; Asada, Toshihiro; Arao, Masazumi; Yogi, Chihiro; Imai, Hideto; Tan, Yongwen; Fujita, Takeshi; Chen, Mingwei

    2016-05-01

    Solid silicon monoxide is an amorphous material which has been commercialized for many functional applications. However, the amorphous structure of silicon monoxide is a long-standing question because of the uncommon valence state of silicon in the oxide. It has been deduced that amorphous silicon monoxide undergoes an unusual disproportionation by forming silicon- and silicon-dioxide-like regions. Nevertheless, the direct experimental observation is still missing. Here we report the amorphous structure characterized by angstrom-beam electron diffraction, supplemented by synchrotron X-ray scattering and computer simulations. In addition to the theoretically predicted amorphous silicon and silicon-dioxide clusters, suboxide-type tetrahedral coordinates are detected by angstrom-beam electron diffraction at silicon/silicon-dioxide interfaces, which provides compelling experimental evidence on the atomic-scale disproportionation of amorphous silicon monoxide. Eventually we develop a heterostructure model of the disproportionated silicon monoxide which well explains the distinctive structure and properties of the amorphous material.

  11. Physics of amorphous metals

    CERN Document Server

    Kovalenko, Nikolai P; Krey, Uwe

    2008-01-01

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

  12. 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...

  13. Atomic-scale disproportionation in amorphous silicon monoxide

    OpenAIRE

    Hirata, Akihiko; Kohara, Shinji; Asada, Toshihiro; Arao, Masazumi; Yogi, Chihiro; Imai, Hideto; Tan, Yongwen; Fujita, Takeshi; Chen, Mingwei

    2016-01-01

    Solid silicon monoxide is an amorphous material which has been commercialized for many functional applications. However, the amorphous structure of silicon monoxide is a long-standing question because of the uncommon valence state of silicon in the oxide. It has been deduced that amorphous silicon monoxide undergoes an unusual disproportionation by forming silicon- and silicon-dioxide-like regions. Nevertheless, the direct experimental observation is still missing. Here we report the amorphou...

  14. 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.

  15. 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.

  16. Influence of production method on the magnetic parameters and structure of Fe{sub 61}Co{sub 10}Y{sub 8}Nb{sub 1}B{sub 20} amorphous alloys in the as-quenched state

    Energy Technology Data Exchange (ETDEWEB)

    Pietrusiewicz, Paweł, E-mail: pietrusiewicz@wip.pcz.pl [Czestochowa University of Technology, Faculty of Materials Processing Technology and Applied Physics, Institute of Physics, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland); Nabiałek, Marcin; Dośpiał, Marcin; Gruszka, Konrad; Błoch, Katarzyna [Czestochowa University of Technology, Faculty of Materials Processing Technology and Applied Physics, Institute of Physics, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland); Gondro, Joanna; Brągiel, Piotr [Jan Dlugosz University in Czestochowa, The Faculty of Mathematics and Natural Sciences, Institute of Physics, Armii Krajowej 13/15, 42-200 Czestochowa (Poland); Szota, Michał; Stradomski, Zbigniew [Czestochowa University of Technology, Faculty of Materials Processing Technology and Applied Physics, Materials Engineering Institute, 19 Armii Krajowej Av., 42-200 Czestochowa (Poland)

    2014-12-05

    Highlights: • The paper presents the influence of rapid quenching method on structure and magnetic properties. • Classical and bulk Fe-based amorphous alloy in the as-cast state. • Samples were obtained by the use of three casting methods i.e. suction, injection and melt-spinning. • XRD and Mössbauer effect studies were used to confirm amorphous structure of samples. • The reduction of saturation of magnetization in BMGs was resulting from higher packing density of atoms. - Abstract: In this paper, the influence of production method on the basic magnetic properties and structure of amorphous alloys, in the forms of ribbons and plates, was investigated. The samples used in the investigations were obtained by three different production methods: ultrafast cooling of the liquid alloy on a rotating copper wheel (the melt-spinning method), and the injection or suction of the molten alloy into a water-cooled copper die injection- and suction-casting, respectively. The structure of the resulting samples of Fe{sub 61}Co{sub 10}Y{sub 8}Nb{sub 1}B{sub 20} alloy was investigated by means of X-ray diffractometry, Mössbauer spectroscopy and scanning electron microscopy. The results of the microstructural investigations confirmed that the obtained samples were amorphous and without crystalline precipitations. The images from the scanning electron microscope were typical for amorphous materials. Magnetic measurements were performed using a vibrating sample magnetometer (VSM) using magnetic fields of up to 2 T. The highest value of the saturation magnetization was achieved for the sample which was in the form of a ribbon. The values of this parameter for the samples which were in the form of plates were similar to each other, regardless of the production method. The values of the coercivity showed much greater differences, depending on the production method. The smallest value of coercivity was found for the sample in plate-form obtained by injection-casting; this is

  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. Thermal properties of amorphous/crystalline silicon superlattices.

    Science.gov (United States)

    France-Lanord, Arthur; Merabia, Samy; Albaret, Tristan; Lacroix, David; Termentzidis, Konstantinos

    2014-09-01

    Thermal transport properties of crystalline/amorphous silicon superlattices using molecular dynamics are investigated. We show that the cross-plane conductivity of the superlattices is very low and close to the conductivity of bulk amorphous silicon even for amorphous layers as thin as ≃ 6 Å. The cross-plane thermal conductivity weakly increases with temperature which is associated with a decrease of the Kapitza resistance with temperature at the crystalline/amorphous interface. This property is further investigated considering the spatial analysis of the phonon density of states in domains close to the interface. Interestingly, the crystalline/amorphous superlattices are shown to display large thermal anisotropy, according to the characteristic sizes of elaborated structures. These last results suggest that the thermal conductivity of crystalline/amorphous superlattices can be phonon engineered, providing new directions for nanostructured thermoelectrics and anisotropic materials in thermal transport. PMID:25105883

  19. Moringa coagulant as a stabilizer for amorphous solids: Part I.

    Science.gov (United States)

    Bhende, Santosh; Jadhav, Namdeo

    2012-06-01

    Stabilization of amorphous state is a focal area for formulators to reap benefits related with solubility and consequently bioavailability of poorly soluble drugs. In the present work, an attempt has been made to explore the potential of moringa coagulant as an amorphous state stabilizer by investigating its role in stabilization of spray-dried (amorphous) ibuprofen, meloxicam and felodipine. Thermal studies like glass forming ability, glass transition temperature, hot stage microscopy and DSC were carried out for understanding thermodynamic stabilization of drugs. PXRD and dissolution studies were performed to support contribution of moringa coagulant. Studies showed that hydrogen bonding and electrostatic interactions between drug and moringa coagulant are responsible for amorphous state stabilization as explored by ATR-FTIR and molecular docking. Especially, H-bonding was found to be predominant mechanism for drug stabilization. Therein, arginine (basic amino acid in coagulant) exhibited various interactions and played important role in stabilization of aforesaid amorphous drugs. PMID:22359158

  20. 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.

  1. 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...

  2. Structural studies of amorphous Se under pressure

    OpenAIRE

    Tanaka, Keiji

    1990-01-01

    X-ray-diffraction patterns, macroscopic compressibility, and crystallization in amorphous Se subject to pressure have been investigated. The material exhibits pressure-induced structural modifications in the glassy state and a phase transformation to the hexagonal phase at 120±20 kbar. The observations are discussed on the basis of microscopic and thermodynamic models.

  3. Neutron scattering studies of amorphous Invar alloys

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Baca, J.A.

    1989-01-01

    This paper reviews recent inelastic neutron scattering experiments performed to study the spin dynamics of two amorphous Invar systems: Fe/sub 100-x/B/sub x/ and Fe/sub 90-x/Ni/sub x/Zr/sub 10/. As in crystalline Invar Fe/sub 65/Ni/sub 35/ and Fe/sub 3/Pt, the excitation of conventional long-wavelength spin waves in these amorphous systems cannot account for the relatively rapid change of their magnetization with temperature. These results are discussed in terms of additional low-lying excitations which apparently have a density of states similar to the spin waves.

  4. Transverse and longitudinal vibrations in amorphous silicon

    Science.gov (United States)

    Beltukov, Y. M.; Fusco, C.; Tanguy, A.; Parshin, D. A.

    2015-12-01

    We show that harmonic vibrations in amorphous silicon can be decomposed to transverse and longitudinal components in all frequency range even in the absence of the well defined wave vector q. For this purpose we define the transverse component of the eigenvector with given ω as a component, which does not change the volumes of Voronoi cells around atoms. The longitudinal component is the remaining orthogonal component. We have found the longitudinal and transverse components of the vibrational density of states for numerical model of amorphous silicon. The vibrations are mostly transverse below 7 THz and above 15 THz. In the frequency interval in between the vibrations have a longitudinal nature. Just this sudden transformation of vibrations at 7 THz from almost transverse to almost longitudinal ones explains the prominent peak in the diffusivity of the amorphous silicon just above 7 THz.

  5. 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)

  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. 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.

  8. 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.

  9. Amorphous silicon based particle detectors

    OpenAIRE

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

    2012-01-01

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

  10. A STUDY OF TIN IMPURITY ATOMS IN AMORPHOUS SILICON

    OpenAIRE

    Rabchanova, Tatiana

    2013-01-01

    Using the Mössbauer spectroscopy method for the 119 Sn isotope the state of tin impurity atoms in amorphous a-Si silicon is studied. The electrical and optical properties of tin doped films of thermally spray-coated amorphous silicon have been studied. It is shown that in contrast to the crystalline silicon where tin is an electrically inactive substitution impurity, in vacuum deposited amorphous silicon it produces an acceptor band near the valence band and a fraction of the tin atoms become...

  11. 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.

  12. Influence of Amorphous Structure on Polymorphism in Vanadia

    Energy Technology Data Exchange (ETDEWEB)

    Stone, Kevin H.; Schelhas, Laura T.; Garten, Lauren M.; Shyam, Badri; Mehta, Apurva; Ndione, Paul F.; Ginley, David S.; Toney, Michael F.

    2016-07-07

    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.

  13. Stable Transistors in Hydrogenated Amorphous Silicon

    OpenAIRE

    J. M. Shannon

    2004-01-01

    Thin-film field-effect transistors in hydrogenated amorphous silicon are notoriously unstable due to the formation of silicon dangling bond trapping states in the accumulated channel region during operation. Here, we show that by using a source-gated transistor a major improvement in stability is obtained. This occurs because the electron quasi-Fermi level is pinned near the center of the band in the active source region of the device and strong accumulation of electrons is prevented. The use...

  14. Systematic Study of Electron Localization in an Amorphous Semiconductor

    OpenAIRE

    Atta-Fynn, Raymond; Biswas, Parthapratim; Ordejon, Pablo; Drabold, D. A.

    2003-01-01

    We investigate the electronic structure of gap and band tail states in amorphous silicon. Starting with two 216-atom models of amorphous silicon with defect concentration close to the experiments, we systematically study the dependence of electron localization on basis set, density functional and spin polarization using the first principles density functional code Siesta. We briefly compare three different schemes for characterizing localization: information entropy, inverse participation rat...

  15. PHOTOEMISSION STUDIES OF THE TRANSITION FROM AMORPHOUS TO MICROCRYSTALLINE SILICON

    OpenAIRE

    Richter, H.; Ley, L.

    1981-01-01

    We have studied a series of samples spanning the range from purely amorphous to microcrystalline silicon prepared by chemical transport in a hydrogen plasma or by sputtering in a H2/Ar mixture. The first order Raman spectra show a superposition of amorphous and crystalline contribution, showing some features of wurtzite-silicon. The electronic density of states, as deduced from X-ray photoelectron-spectroscopy, shows a gradual change from microcrystalline structure for samples prepared by che...

  16. Molecular dynamics in electrospun amorphous plasticized polylactide fibers

    OpenAIRE

    MONNIER, X; DELPOUVE, N; BASSON, N; GUINAULT, A; DOMENEK, S; Saiter, A; MALLON, P.E; Dargent, E

    2015-01-01

    The molecular dynamics in the amorphous phase of electrospun fibers of polylactide (PLA) has been investigated using the cooperative rearranging region concept. An unusual and significant increase of the cooperativity length at the glass transition induced by the electrospinning has been observed. This behavior is attributed to the singularity of the amorphous phase organization. Electrospun PLA fibers rearrange in a pre-ordered metastable state which is characterized by highly oriented but n...

  17. Radiation resistance studies of amorphous silicon films

    Science.gov (United States)

    Woodyard, James R.; Payson, J. Scott

    1989-01-01

    Hydrogenated amorphous silicon thin films were irradiated with 2.00 MeV helium ions using fluences ranging from 1E11 to 1E15 cm(-2). The films were characterized using photothermal deflection spectroscopy and photoconductivity measurements. The investigations show that the radiation introduces sub-band-gap states 1.35 eV below the conduction band and the states increase supralinearly with fluence. Photoconductivity measurements suggest the density of states above the Fermi energy is not changing drastically with fluence.

  18. 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.

  19. Measurement of the equation of state and of the index of refraction of an amorphous glow discharge polymer up to 45 GPa

    Science.gov (United States)

    Plisson, Thomas; Colin-Lalu, Pierre; Huser, Gael; Loubeyre, Paul

    2016-08-01

    We present an experimental determination of the ambient temperature equation of state, P ( ρ / ρ 0 , 293 K ) , up to 45 GPa, of the glow discharge polymer (GDP) used as a confining capsule for the fusible deuterium-tritium mixture in inertial confinement fusion experiments. An original method has been implemented to measure both the compression factor and the refractive index versus pressure. The data are obtained in a diamond anvil cell with two sample chambers of equal thickness containing, respectively, the GDP and a NaCl reference. This experimental equation of state is compared to numerical first principles simulations. Deviations are ascribed to the difficulty to simulate the detailed atomic structure of the polymer under moderate pressure.

  20. Simulation in Amorphous Silicon and Amorphous Silicon Carbide Pin Diodes

    OpenAIRE

    Gonçalves, Dora; Fernandes, Miguel; Louro, Paula; Fantoni, Alessandro; Vieira, Manuela

    2014-01-01

    Part 21: Electronics: Devices International audience Photodiodes are devices used as image sensors, reactive to polychromatic light and subsequently color detecting, and they are also used in optical communication applications. To improve these devices performance it is essential to study and control their characteristics, in fact their capacitance and spectral and transient responses. This study considers two types of diodes, an amorphous silicon pin and an amorphous silicon carbide pi...

  1. The electrochemical characteristics and applicability of an amorphous sulfide based solid ion conductor for the next generation solid-state lithium secondary batteries.

    Directory of Open Access Journals (Sweden)

    Yuichi eAihara

    2016-05-01

    Full Text Available Sulfide based solid electrolytes are of considerable practical interest for all solid-state batteries due to their high ionic conductivity and softness at room temperature. In particular, iodine containing lithium thiophosphate is known to exhibit high ionic conductivity but its applicability in solid-state battery remains to be examined. To demonstrate the possibility of the iodine doped solid electrolyte (SE, LiI-Li3PS4 was used to construct two different types of test cells were prepared, Li/SE/S and Li/SE/LiNi0.80Co0.15Al0.05 cells. The solid electrolyte, LiI-Li3PS4 showed a high ionic conductivity approximately 1.2 mScm-1 at 25 ℃. Within 100 cycles, the capacity retention was better in Li/SE/S cell, and the red-ox shuttle was not observed due to physical blockage of SE layer. The capacity fade was approximately 4% from the maximum capacity observed at 10th cycle, after 100 cycles in Li/SE/S cell. On the contrary, the capacity fade was much larger in Li/SE/LiNi0.80Co0.15Al0.05 cell, probably due to the decomposition of the electrolyte at the operating potential range. Nevertheless, both the Li/SE/LiNi0.80Co0.15Al0.05 and Li/SE/S cells exhibited the high coulombic efficiencies above 99.6% and 99.9% during charge-discharge cycle test, respectively. This fact indicates that a high energy density can be possible without an excess lithium metal anode. In addition, it was particularly interesting that the SE showed a reversible capacity about 260 mAhg-1-SE. This electrolyte may have not only as a role of the ion conduction, but also as a catholite.

  2. Amorphous drugs and dosage forms

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  3. Formation of amorphous Fe 50Si 50 alloy by diffusion reaction

    Science.gov (United States)

    Yan, Zhihua; Wang, Wenkui; Li, Jingfeng; Wang, Yuming

    1989-02-01

    The solid state reaction in the multilayer film with alternative polycrystalline Fe and amorphous Si layers has been studied with X-ray diffraction. Amorphous Fe 50Si 50 phase was formed after annealing isothermally at 300°C, which is explained in view of the consideration that an amorphous phase can be more favorable to form than a supersaturated solution in thermodynamics as well as than an equilibrium compound FeSi in kenetics.

  4. 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.

  5. PHYSICAL PROPERTIES OF AMORPHOUS CVD SILICON

    OpenAIRE

    Hirose, M.

    1981-01-01

    Amorphous silicon produced from the chemical vapor decomposition of silane at ~600 °C offers a pure silicon network containing no bonded-hydrogen and involving native defects of the order of 1 x 1019 cm-3. Doped phosphorus or boron atoms in the CVD a-Si interact with the defects to reduce the gap states and the spin density as well. The mechanism of the defect compensation has been interpreted in terms of complex-defect formation through the reaction between three-fold dopant atoms and divaca...

  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 curre

  7. Mechanical response of melt-spun amorphous filaments

    International Nuclear Information System (INIS)

    High-speed melt spinning of a cyclo-olefin polymer (COP) and a copolyamide (CoPA) have been performed. Differential scanning calorimetry curves of the resulting monofilaments show that they remain in an amorphous state even after hot drawing. Wide angle x-ray diffraction patterns of undrawn and drawn COP filaments show that although the material remains in an amorphous state, a degree of orientation is induced in the polymer after drawing. The amorphous filaments show an enhanced bending recovery with respect to different semi-crystalline monofilaments commercially available. However, single fiber axial compressive testing indicates that the amorphous filaments exhibit a compressive modulus value which is 50% lower than what is observed for a reference semi-crystalline PET filament. Analysis of the compressive strains applied by the bending recovery test indicates that while the maximum applied strains remain well within the region of elastic deformation of the amorphous materials, the threshold between elastic and plastic deformation is reached for the semi-crystalline materials. (paper)

  8. 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.

  9. 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

  10. 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.

  11. Research Update: Direct conversion of amorphous carbon into diamond at ambient pressures and temperatures in air

    International Nuclear Information System (INIS)

    We report on fundamental discovery of conversion of amorphous carbon into diamond by irradiating amorphous carbon films with nanosecond lasers at room-temperature in air at atmospheric pressure. We can create diamond in the form of nanodiamond (size range <100 nm) and microdiamond (>100 nm). Nanosecond laser pulses are used to melt amorphous diamondlike carbon and create a highly undercooled state, from which various forms of diamond can be formed upon cooling. The quenching from the super undercooled state results in nucleation of nanodiamond. It is found that microdiamonds grow out of highly undercooled state of carbon, with nanodiamond acting as seed crystals

  12. Analysis and Application of the Amorphous Properties in Freeze-Dried Foods

    Science.gov (United States)

    Kawai, Kiyoshi

    The dynamic properties of amorphous materials drastically change by the phase transition between glassy state and rubber state. Furthermore, the dynamic properties of amorphous materials in glassy state are affected by the thermal history such as processing and/or storage conditions. In this paper, effect of the glass transition of freeze-dried food systems on the storage stability was summarized. Moreover, analytical approaches of the amorphous properties for glassy products with enthalpy relaxation measurements by using differential scanning calorimetry were presented and its application to food industry was proposed.

  13. Amorphous-silicon cell reliability testing

    Science.gov (United States)

    Lathrop, J. W.

    1985-01-01

    The work on reliability testing of solar cells is discussed. Results are given on initial temperature and humidity tests of amorphous silicon devices. Calibration and measurement procedures for amorphous and crystalline cells are given. Temperature stress levels are diagrammed.

  14. 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...

  15. Hydrogenated amorphous silicon deposited by ion-beam sputtering

    Science.gov (United States)

    Lowe, V. E.; Henin, N.; Tu, C.-W.; Tavakolian, H.; Sites, J. R.

    1981-01-01

    Hydrogenated amorphous silicon films 1/2 to 1 micron thick were deposited on metal and glass substrates using ion-beam sputtering techniques. The 800 eV, 2 mA/sq cm beam was a mixture of argon and hydrogen ions. The argon sputtered silicon from a pure (7.6 cm) single crystal wafer, while the hydrogen combined with the sputtered material during the deposition. Hydrogen to argon pressure ratios and substrate temperatures were varied to minimize the defect state density in the amorphous silicon. Characterization was done by electrical resistivity, index of refraction and optical absorption of the films.

  16. Unveiling the complex electronic structure of amorphous metal oxides

    OpenAIRE

    Arhammar, C.; Pietzsch, A; Bock, N.; Holmstrom, E.; Araujo, C. M.; Grasjo, J.; Zhao, S.; Green, S; Peery, T.; Hennies, F.; Amerioun, S.; Fohlisch, A.; Schlappa, J.; Schmitt, T; Strocov, V. N.

    2011-01-01

    Amorphous materials represent a large and important emerging area of material’s science. Amorphous oxides are key technological oxides in applications such as a gate dielectric in Complementary metal-oxide semiconductor devices and in Silicon-Oxide-Nitride-Oxide-Silicon and TANOS (TaN-Al2O3-Si3N4-SiO2-Silicon) flash memories. These technologies are required for the high packing density of today’s integrated circuits. Therefore the investigation of defect states in these structures is crucial....

  17. 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.

  18. Amorphization of hard crystalline materials by electrosprayed nanodroplet impact

    International Nuclear Information System (INIS)

    A beam of electrosprayed nanodroplets impacting on single-crystal silicon amorphizes a thin surface layer of a thickness comparable to the diameter of the drops. The phase transition occurs at projectile velocities exceeding a threshold, and is caused by the quenching of material melted by the impacts. This article demonstrates that the amorphization of silicon is a general phenomenon, as nanodroplets impacting at sufficient velocity also amorphize other covalently bonded crystals. In particular, we bombard single-crystal wafers of Si, Ge, GaAs, GaP, InAs, and SiC in a range of projectile velocities, and characterize the samples via electron backscatter diffraction and transmission electron microscopy to determine the aggregation state under the surface. InAs requires the lowest projectile velocity to develop an amorphous layer, followed by Ge, Si, GaAs, and GaP. SiC is the only semiconductor that remains fully crystalline, likely due to the relatively low velocities of the beamlets used in this study. The resiliency of each crystal to amorphization correlates well with the specific energy needed to melt it except for Ge, which requires projectile velocities higher than expected

  19. Investigation of Sb diffusion in amorphous silicon

    OpenAIRE

    Csik, A.; Langer, G A; Erdelyi, G.; Beke, D. L.; Erdelyi, Z.; Vad, K.

    2009-01-01

    Amorphous silicon materials and its alloys become extensively used in some technical applications involving large area of the microelectronic and optoelectronic devices. However, the amorphous-crystalline transition, segregation and diffusion processes still have numerous unanswered questions. In this work we study the Sb diffusion into an amorphous Si film by means of Secondary Neutral Mass Spectrometry (SNMS). Amorphous Si/Si1-xSbx/Si tri-layer samples with 5 at% antimony concentration were...

  20. 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 ran

  1. 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

  2. Nanovoid formation by change in amorphous structure through the annealing of amorphous Al2O3 thin films

    International Nuclear Information System (INIS)

    The formation mechanism of a high density of nanovoids by annealing amorphous Al2O3 thin films prepared by an electron beam deposition method was investigated. Transmission electron microscopy observations revealed that nanovoids ∼1-2 nm in size were formed by annealing amorphous Al2O3 thin films at 973 K for 1-12 h, where the amorphous state was retained. The elastic stiffness, measured by a picosecond laser ultrasound method, and the density, measured by X-ray reflectivity, increased drastically after the annealing process, despite nanovoid formation. These increases indicate a change in the amorphous structure during the annealing process. Molecular dynamics simulations indicated that an increase in stable AlO6 basic units and the change in the ring distribution lead to a drastic increase in both the elastic stiffness and the density. It is probable that a pre-annealed Al2O3 amorphous film consists of unstable low-density regions containing a low fraction of stable AlO6 units and stable high-density regions containing a high fraction of stable AlO6 units. Thus, local density growth in the unstable low-density regions during annealing leads to nanovoid formation (i.e., local volume shrinkage).

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

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Amorphous nickel/cobalt tungsten sulfides were synthesized by a thermolytic process. • Amorphous NiWS and CoWS could realize hydrogen evolution efficiently. • Ni/Co promotion and annealing alter the porous structure and chemical bonding states. • Active sites on the surface of amorphous WSx are increased with Ni or Co doping. • Amorphous NiWS and CoWS have immense potentials in water splitting devices. - Abstract: The hydrogen evolution reaction (HER), an appealing solution for future energy supply, requires efficient and inexpensive electrocatalysts with abundant active surface sites. Although crystalline MoS2 and WS2 are promising candidates, their activity is dominated by edge sites. Amorphous tungsten sulfide prepared so far lacks the required active sites and its application has thus been hampered. In this work, nickel and cobalt incorporated amorphous tungsten sulfide synthesized by a thermolytic process is demonstrated to enhance the HER efficiency dramatically. The amorphous nickel tungsten sulfide (amorphous NiWS) annealed at 210 °C delivers the best HER performance in this system boasting a Tafel slope of 55 mV per decade and current density of 8.6 mA cm−2 at 250 mV overpotential in a sustained test for 24 h. The introduction of Ni or Co into the catalyst and subsequent thermal treatment alters the porous structure and chemical bonding states thereby increasing the density of active sites on the surface

  4. Heterogeneous nucleation of the amorphous phase and dissolution of nanocrystalline grains in bilayer Al-Ge thin films

    Energy Technology Data Exchange (ETDEWEB)

    Raghavan, G.; Divakar, R.; Sundari, T.; Sundararaman, D.; Tyagi, A.K.; Krishan, K. [Indira Gandhi Center for Atomic Research, Kalpakkam (India)

    1997-12-18

    Solid State Amorphization Reaction (SSAR) was first reported in thin film couples of Au-La by Schwarz et al. Since then, many other systems have been shown to undergo SSAR. Various issues involved in SSAR have been extensively investigated and reviewed. The existence of a large negative heat of mixing, anomalous fast diffusion of one component, the requirement of heterogeneous nucleation sites such as grain boundaries are found to be some of the key features of solid state amorphization. The authors present in this paper evidence of heterogeneous nucleation and growth of the amorphous phase followed by the precipitation of germanium from the amorphous phase in Al-Ge bilayer films.

  5. An amorphous phase formation at palladium / silicon oxide (Pd/SiOx) interface through electron irradiation - electronic excitation process

    International Nuclear Information System (INIS)

    A Pd-Si amorphous phase was formed at a palladium/silicon oxide (Pd/SiOx) interface at room temperature by electron irradiation at acceleration voltages ranging between 25 kV and 200 kV. Solid-state amorphization was stimulated without the electron knock-on effects. The total dose required for the solid-state amorphization decreases with decreasing acceleration voltage. This is the first report on electron irradiation induced metallic amorphous formation caused by the electronic excitation at metal/silicon oxide interface

  6. 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.

  7. The Influence of Pressure on the Intrinsic Dissolution Rate of Amorphous Indomethacin

    OpenAIRE

    Korbinian Löbmann; Konstantina Flouda; Danwen Qiu; Theodosia Tsolakou; Wenbo Wang; Thomas Rades

    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 ...

  8. Connection of the Hall coefficient with some parameters in amorphous and crystalline ferromagnetics

    Directory of Open Access Journals (Sweden)

    Yu.A. Kunyts’ky

    2010-01-01

    Full Text Available For the series of alloys based on iron metal group the temperature dependences of Hall coefficient, resistivity, saturation magnetization in the amorphous and crystalline states are investigated. Within the Kondorsky-Vedyaev-Granovski theory framework the relationship between anomalous Hall coefficient Rs specific resistivity ρ and saturation magnetization Js was determined. The changes mechanism for some physical parameters of amorphous alloys was revealed in the case of the heat treatment and for the transition to the crystalline state as well.

  9. Amorphous silicon based betavoltaic devices

    OpenAIRE

    Wyrsch, N; Riesen, Y.; Franco, A; S. Dunand; Kind, H.; Schneider, S.; Ballif, C.

    2013-01-01

    Hydrogenated amorphous silicon betavoltaic devices are studied both by simulation and experimentally. Devices exhibiting a power density of 0.1 μW/cm2 upon Tritium exposure were fabricated. However, a significant degradation of the performance is taking place, especially during the first hours of the exposure. The degradation behavior differs from sample to sample as well as from published results in the literature. Comparisons with degradation from beta particles suggest an effect of tritium...

  10. Linear and Nonlinear Wave Dynamics in Amorphous Photonic Lattices

    Science.gov (United States)

    Rechtsman, Mikael; Szameit, Alexander; Segev, Mordechai

    Conventional intuition in solid-state physics holds that in order for a solid to have an electronic band-gap, it must be periodic, allowing the use of Bloch's theorem. Indeed, the free-electron approximation seems to imply that Bragg scattering in periodic potentials is a necessary condition for the formation of a band-gap. But this is obviously untrue: looking through a window reveals that glassy silica (SiO2), although possessing no order at all, still displays a band-gap spanning the entire photon energy range of visible light, without absorption. Several experimental studies have probed the properties of the band-gap in such "amorphous" electronic systems using spectroscopic techniques [1], time-of-flight measurements [2], and others. With the major progress in photonic crystals [3, 4], it is natural to explore amorphous photonic structures with band-gaps, where the actual wavefunction can be observed directly, and hence, many physical issues can be studied at an unprecedented level. Indeed, amorphous photonic media have been studied theoretically in several pioneering papers (e.g., [5, 6]), and experiments in the microwave regime have demonstrated the existence of a band-gap [5]. However, amorphous band-gap media have never been studied experimentally in the optical regime. Particularly in optics, the full beauty of disorder can be revealed: optics offers the possibility to precisely engineer the potential strength and period, as well as the unique opportunity to employ nonlinearity under controlled conditions, which could unravel unknown features that are much harder to access experimentally in other systems. Here, we present the first experimental study of amorphous photonic lattices: a two-dimensional array of randomly organized evanescently coupled waveguides. We demonstrate that the bands in this medium, comprising inherently localized Anderson states, are separated by gaps, despite the total lack of Bragg scattering. We find that amorphous photonic

  11. 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.

  12. Tendency of metallic crystals to amorphization in the process of severe (Megaplastic) deformation

    Science.gov (United States)

    Glezer, A. M.; Sundeev, R. V.; Shalimova, A. V.

    2012-11-01

    The main features of the transition of crystalline Ni50Ti30Hf20, Ti50Ni25Cu25, Zr50Ni18Ti17Cu15, and Fe78B8.5Si9P4.5 alloys with various tendencies to amorphization into an amorphous state upon melt quenching and in the course of severe deformation in Bridgman anvils have been considered. The crystalline state of these alloys has been produced using various methods of annealing. In the iron-based alloy, single-phase and two-phase crystalline states have been studied. The nickel- and titanium-based alloys after annealing were in a single-phase crystalline state; the zirconium-based alloy, in a two-phase state. It is shown that at the same degree of deformation the rates of amorphization of crystalline alloys differ substantially; namely, the single-phase crystalline titanium- and iron-based alloys amorphize easily, whereas the Zr-based alloy amorphizes only poorly, just like the two-phase iron-based alloy. It can be assumed that the tendency to deformation-induced amorphization of crystalline alloys and the corresponding crystalline phases is mainly determined by three factors: mechanical, thermodynamic, and concentration-related.

  13. 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.

  14. 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

  15. Hydrophobic transition in porous amorphous silica

    International Nuclear Information System (INIS)

    Realistic models of amorphous silica surfaces with different silanol densities are built using Monte Carlo annealing. Water-silica interfaces are characterized by their energy interaction maps, adsorption isotherms, self-diffusion coefficients, and Poiseuille flows. A hydrophilic to hydrophobic transition appears as the surface becomes purely siliceous. These results imply significant consequences for the description of surfaces. First, realistic models are required for amorphous silica interfaces. Second, experimental amorphous silica hydrophilicity is attributed to charged or uncharged defects, and not to amorphousness. In addition, auto irradiation in nuclear waste glass releases hydrogen atoms from silanol groups and can induce such a transition. (authors)

  16. 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.

  17. Plasma Deposition of Amorphous Silicon

    Science.gov (United States)

    Calcote, H. F.

    1982-01-01

    Strongly adhering films of silicon are deposited directly on such materials as Pyrex and Vycor (or equivalent materials) and aluminum by a non-equilibrium plasma jet. Amorphous silicon films are formed by decomposition of silicon tetrachloride or trichlorosilane in the plasma. Plasma-jet technique can also be used to deposit an adherent silicon film on aluminum from silane and to dope such films with phosphorus. Ability to deposit silicon films on such readily available, inexpensive substrates could eventually lead to lower cost photovoltaic cells.

  18. Polymeric amorphous carbon as p-type window within amorphous silicon solar cells

    NARCIS (Netherlands)

    Khan, R.U.A.; Silva, S.R.P.; Van Swaaij, R.A.C.M.M.

    2003-01-01

    Amorphous carbon (a-C) has been shown to be intrinsically p-type, and polymeric a-C (PAC) possesses a wide Tauc band gap of 2.6 eV. We have replaced the p-type amorphous silicon carbide layer of a standard amorphous silicon solar cell with an intrinsic ultrathin layer of PAC. The thickness of the p

  19. 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

  20. Surface passivation of crystalline silicon by Cat-CVD amorphous and nanocrystalline thin silicon films

    OpenAIRE

    Voz Sánchez, Cristóbal; Martin, I.; Orpella, A.; Puigdollers i González, Joaquim; Vetter, M.; Alcubilla González, Ramón; Soler Vilamitjana, David; Fonrodona Turon, Marta; Bertomeu i Balagueró, Joan; Andreu i Batallé, Jordi

    2003-01-01

    In this work, we study the electronic surface passivation of crystalline silicon with intrinsic thin silicon films deposited by Catalytic CVD. The contactless method used to determine the effective surface recombination velocity was the quasi-steady-state photoconductance technique. Hydrogenated amorphous and nanocrystalline silicon films were evaluated as passivating layers on n- and p-type float zone silicon wafers. The best results were obtained with amorphous silicon films, which allowed ...

  1. Experimental and Computer Modelling Studies of Metastability of Amorphous Silicon Based Solar Cells

    OpenAIRE

    Munyeme, Geoffrey

    2003-01-01

    We present a combination of experimental and computer modelling studies of the light induced degradation in the performance of amorphous silicon based single junction solar cells. Of particular interest in this study is the degradation kinetics of different types of amorphous silicon single junction solar cells and the role of dangling bond states in mediating or driving the degradation mechanism. The approach taken in this study has enabled has to examine how light induced degradation is aff...

  2. Electron tunnelling into amorphous germanium and silicon.

    Science.gov (United States)

    Smith, C. W.; Clark, A. H.

    1972-01-01

    Measurements of tunnel conductance versus bias, capacitance versus bias, and internal photoemission were made in the systems aluminum-oxide-amorphous germanium and aluminium-oxide-amorphous silicon. A function was extracted which expresses the deviation of these systems from the aluminium-oxide-aluminium system.

  3. 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.

  4. Towards upconversion for amorphous silicon solar cells

    NARCIS (Netherlands)

    de Wild, J.; Meijerink, A.; Rath, J.K.; van Sark, W.G.J.H.M.; Schropp, R.E.I.

    2010-01-01

    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 β-NaYF4:Yb3+(18%) Er3+(2%) at the back of an amorphous silicon solar cell in com

  5. 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.

  6. Amorphization and magnetic properties of Fe62Nb38 mechanically alloyed powders

    Institute of Scientific and Technical Information of China (English)

    QIN Hongwei; HU Jifan; YANG Fuming

    2004-01-01

    The amorphization and magnetic properties of Fe62Nb38 mechanically alloyed powders were investigated. In the initial mechanical alloying processes, the lattice structure of pure Fe is destroyed due to the cold-welding and fracturing, accompanying the reduction of ferromagnetic properties. The Ms value of Fe62Nb38 powders with ball-milling time t = 6 h is only 48.1 A.m2/kg. With prolongating of mechanical alloying processes, a solid state amorphization reaction (SSAR) takes place and the Fe-Nb ferromagnetic amorphous phase is formed. With the milling time increasing from 6 to 18 h, the satura tion magnetization of Fe62NB38 powders increases with enhancement of the proportion of ferromagnetic amorphous phase in from dilute model. However, the Curie temperature of the Fe62Nb38 amorphous phase is only 206°C, which is much smaller than that of the pure Fe. This implies that the exchange interaction between Fe atoms in amorphous alloyed Fe62Nb38 becomes weak due to the Nb dilution. Investigation shows that the variation of magnetic properties of milled powders is one of important tools for describing the amorphization by mechanical alloying.

  7. Neutron irradiation induced amorphization of silicon carbide

    International Nuclear Information System (INIS)

    This paper provides the first known observation of silicon carbide fully amorphized under neutron irradiation. Both high purity single crystal hcp and high purity, highly faulted (cubic) chemically vapor deposited (CVD) SiC were irradiated at approximately 60 C to a total fast neutron fluence of 2.6 x 1025 n/m2. Amorphization was seen in both materials, as evidenced by TEM, electron diffraction, and x-ray diffraction techniques. Physical properties for the amorphized single crystal material are reported including large changes in density (-10.8%), elastic modulus as measured using a nanoindentation technique (-45%), hardness as measured by nanoindentation (-45%), and standard Vickers hardness (-24%). Similar property changes are observed for the critical temperature for amorphization at this neutron dose and flux, above which amorphization is not possible, is estimated to be greater than 130 C

  8. 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.

  9. Locomotion of Amorphous Surface Robots

    Science.gov (United States)

    Bradley, Arthur T. (Inventor)

    2016-01-01

    An amorphous robot includes a compartmented bladder containing fluid, a valve assembly, and an outer layer encapsulating the bladder and valve assembly. The valve assembly draws fluid from a compartment(s) and discharges the drawn fluid into a designated compartment to displace the designated compartment with respect to the surface. Another embodiment includes elements each having a variable property, an outer layer that encapsulates the elements, and a control unit. The control unit energizes a designated element to change its variable property, thereby moving the designated element. The elements may be electromagnetic spheres with a variable polarity or shape memory polymers with changing shape and/or size. Yet another embodiment includes an elongated flexible tube filled with ferrofluid, a moveable electromagnet, an actuator, and a control unit. The control unit energizes the electromagnet and moves the electromagnet via the actuator to magnetize the ferrofluid and lengthen the flexible tube.

  10. Stochastic approach to plasticity and yield in amorphous solids

    Science.gov (United States)

    Hentschel, H. G. E.; Jaiswal, Prabhat K.; Procaccia, Itamar; Sastry, Srikanth

    2015-12-01

    We focus on the probability distribution function (PDF) P (Δ γ ;γ ) where Δ γ are the measured strain intervals between plastic events in a athermal strained amorphous solids, and γ measures the accumulated strain. The tail of this distribution as Δ γ →0 (in the thermodynamic limit) scales like Δ γη . The exponent η is related via scaling relations to the tail of the PDF of the eigenvalues of the plastic modes of the Hessian matrix P (λ ) which scales like λθ, η =(θ -1 )/2 . The numerical values of η or θ can be determined easily in the unstrained material and in the yielded state of plastic flow. Special care is called for in the determination of these exponents between these states as γ increases. Determining the γ dependence of the PDF P (Δ γ ;γ ) can shed important light on plasticity and yield. We conclude that the PDF's of both Δ γ and λ are not continuous functions of γ . In slowly quenched amorphous solids they undergo two discontinuous transitions, first at γ =0+ and then at the yield point γ =γ Y to plastic flow. In quickly quenched amorphous solids the second transition is smeared out due to the nonexisting stress peak before yield. The nature of these transitions and scaling relations with the system size dependence of are discussed.

  11. Stochastic approach to plasticity and yield in amorphous solids.

    Science.gov (United States)

    Hentschel, H G E; Jaiswal, Prabhat K; Procaccia, Itamar; Sastry, Srikanth

    2015-12-01

    We focus on the probability distribution function (PDF) P(Δγ;γ) where Δγ are the measured strain intervals between plastic events in a athermal strained amorphous solids, and γ measures the accumulated strain. The tail of this distribution as Δγ→0 (in the thermodynamic limit) scales like Δγ(η). The exponent η is related via scaling relations to the tail of the PDF of the eigenvalues of the plastic modes of the Hessian matrix P(λ) which scales like λ(θ), η=(θ-1)/2. The numerical values of η or θ can be determined easily in the unstrained material and in the yielded state of plastic flow. Special care is called for in the determination of these exponents between these states as γ increases. Determining the γ dependence of the PDF P(Δγ;γ) can shed important light on plasticity and yield. We conclude that the PDF's of both Δγ and λ are not continuous functions of γ. In slowly quenched amorphous solids they undergo two discontinuous transitions, first at γ=0(+) and then at the yield point γ=γ(Y) to plastic flow. In quickly quenched amorphous solids the second transition is smeared out due to the nonexisting stress peak before yield. The nature of these transitions and scaling relations with the system size dependence of 〈Δγ〉 are discussed. PMID:26764687

  12. Correlating thermodynamic and kinetic parameters with amorphous stability

    DEFF Research Database (Denmark)

    Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel;

    2009-01-01

    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...... temperature the relaxation time and fragility showed no correlation with the observed physical stability. All drugs were calculated to be 'fragile'. However, variation in the fragility index existed, with values spanning from 8.9 to 21.3, manifesting themselves as differences in the temperature dependencies......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...

  13. Micromagnetic study of magnetic domain structure and magnetization reversal in amorphous wires with circular anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt, I., E-mail: israelb@correo.unam.m [Departamento de Materiales Metalicos y Ceramicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Mexico D.F. 04510 (Mexico); Hrkac, G. [Department of Engineering Materials, University of Sheffield, Mappin St., Sheffield S1 3JD (United Kingdom); Schrefl, T. [Department of Engineering Materials, University of Sheffield, Mappin St., Sheffield S1 3JD (United Kingdom); St. Poelten University of Applied Sciences (Austria)

    2011-05-15

    In this work we present a detailed numerical investigation on the magnetic domain formation and magnetization reversal mechanism in sub-millimeter amorphous wires with negative magnetostriction by means of micromagnetic calculations. The formation of circular magnetic domains surrounding a multidomain axially oriented central nucleus was observed for the micromagnetic model representing the amorphous wire. The magnetization reversal explained by micromagnetic computations for the M-H curve is described in terms of a combined nucleation-propagation-rotational mechanism after the saturated state. Results are interpreted in terms of the effective magnetic anisotropy. - Research highlights: > Magnetic domain formation in small amorphous wires is studied by micromagnetic calculations. > Magnetization reversal in small amorphous wires is studied by micromagnetic calculations. > Formation of circular domains around an axially oriented central core was observed. > Magnetization reversal is described in terms of nucleation-propagation-rotational mechanisms. > Magnetic domains and reversal mechanism are consistent with experimental reports.

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

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

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

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

    Institute of Scientific and Technical Information of China (English)

    WANG Liang; CHEN XiaoShuang; LU Wei; HUANG Yan; WANG XiaoFang; ZHAO JiJun

    2009-01-01

    The structural and optical properties of amorphous semiconductor mercury cadmium telluride(a-MCT) are obtained by the first principles calculations. The total pair distribution functions and the density of states show that the a-MCT has the semiconductor characteristic. The calculated results of dielectric function show that E2 peak of the imaginary of dielectric function for the crystal mercury cadmium telluride abruptly disappears in the amorphous case due to the long-range disorders. And the imaginary of dielectric function of a-MCT shows a large broad peak, which is in agreement with the available results of other amorphous semiconductors. From the linear extrapolation of the curve (n)ωε2(ω)1/2 versus (n)ω,it can be obtained that the optical energy gap of amorphous semiconductor Hg0.5Cd0.5Te is 0.51±0.05 eV.

  16. STUDY ON MAXIMUM HYDROGEN CAPACITY FOR Zr-Ni AMORPHOUS ALLOY

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    To design the amorphous hydrogen storage alloy efficiently, the maximum hydrogen capacities for Zr-Ni amorphous alloy were calculated. Based on the Rhomb Unit Structure Model(RUSM) for amorphous alloy and the experimental result that hydrogen atoms exist in 3Zr1Ni and 4Zr tetrahedron interstices in Zr-Ni amorphous alloy, the numbers of 3Zr-1Ni and 4Zr tetrahedron interstices in a RUSM were calculated which correspond to the hydrogen capacity. The two extremum Zr distribution states were calculated, such as highly heterogeneous Zr distribution and homogeneous Zr distribution. The calculated curves of hydrogen capacity with different Zr contents at two states indicate that the hydrogen capacity increases with increasing Zr content and reaches its maximum when Zr is 75%. The theoretical maximum hydrogen capacity for Zr-Ni amorphous alloy is 2.0(H/M). Meanwhile, the hydrogen capacity of heterogeneous Zr distribution alloy is higher than that of homogenous one at the same Zr content. The experimental results prove the calculated results reasonable, and accordingly, the experimental results that the distribution of Zr atom in amorphous alloy occur heterogeneous after a few hydrogen absorption-desorption cycles can be explained.

  17. Quantification of surface amorphous content using dispersive surface energy: the concept of effective amorphous surface area.

    Science.gov (United States)

    Brum, Jeffrey; Burnett, Daniel

    2011-09-01

    We investigate the use of dispersive surface energy in quantifying surface amorphous content, and the concept of effective amorphous surface area is introduced. An equation is introduced employing the linear combination of surface area normalized square root dispersive surface energy terms. This equation is effective in generating calibration curves when crystalline and amorphous references are used. Inverse gas chromatography is used to generate dispersive surface energy values. Two systems are investigated, and in both cases surface energy data collected for physical mixture samples comprised of amorphous and crystalline references fits the predicted response with good accuracy. Surface amorphous content of processed lactose samples is quantified using the calibration curve, and interpreted within the context of effective amorphous surface area. Data for bulk amorphous content is also utilized to generate a thorough picture of how disorder is distributed throughout the particle. An approach to quantifying surface amorphous content using dispersive surface energy is presented. Quantification is achieved by equating results to an effective amorphous surface area based on reference crystalline, and amorphous materials. PMID:21725707

  18. An amorphous phase formation at palladium / silicon oxide (Pd/SiO{sub x}) interface through electron irradiation - electronic excitation process

    Energy Technology Data Exchange (ETDEWEB)

    Nagase, Takeshi, E-mail: t-nagase@uhvem.osaka-u.ac.jp [Research Center for Ultra-High Voltage Electron Microscopy, Osaka University, 7-1, Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1, Yamada-Oka, Suita, Osaka 565-0871 (Japan); Yamashita, Ryo; Yabuuchi, Atsushi [Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1, Yamada-Oka, Suita, Osaka 565-0871 (Japan); Lee, Jung-Goo [Powder & Ceramics Division, Korea Institute of Materials Science, 66 Sangnam-dong, Changwon, Kyungsangnam-Do 641-101 (Korea, Republic of)

    2015-11-15

    A Pd-Si amorphous phase was formed at a palladium/silicon oxide (Pd/SiO{sub x}) interface at room temperature by electron irradiation at acceleration voltages ranging between 25 kV and 200 kV. Solid-state amorphization was stimulated without the electron knock-on effects. The total dose required for the solid-state amorphization decreases with decreasing acceleration voltage. This is the first report on electron irradiation induced metallic amorphous formation caused by the electronic excitation at metal/silicon oxide interface.

  19. Electronic transport in amorphous phase-change materials

    Energy Technology Data Exchange (ETDEWEB)

    Luckas, Jennifer Maria

    2012-09-14

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

  20. Electronic transport in amorphous phase-change materials

    International Nuclear Information System (INIS)

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

  1. Amorphous Alloy Surpasses Steel and Titanium

    Science.gov (United States)

    2004-01-01

    In the same way that the inventions of steel in the 1800s and plastic in the 1900s sparked revolutions for industry, a new class of amorphous alloys is poised to redefine materials science as we know it in the 21st century. Welcome to the 3rd Revolution, otherwise known as the era of Liquidmetal(R) alloys, where metals behave similar to plastics but possess more than twice the strength of high performance titanium. Liquidmetal alloys were conceived in 1992, as a result of a project funded by the California Institute of Technology (CalTech), NASA, and the U.S. Department of Energy, to study the fundamentals of metallic alloys in an undercooled liquid state, for the development of new aerospace materials. Furthermore, NASA's Marshall Space Flight Center contributed to the development of the alloys by subjecting the materials to testing in its Electrostatic Levitator, a special instrument that is capable of suspending an object in midair so that researchers can heat and cool it in a containerless environment free from contaminants that could otherwise spoil the experiment.

  2. Oxygenated amorphous carbon for resistive memory applications

    Science.gov (United States)

    Santini, Claudia A.; Sebastian, Abu; Marchiori, Chiara; Jonnalagadda, Vara Prasad; Dellmann, Laurent; Koelmans, Wabe W.; Rossell, Marta D.; Rossel, Christophe P.; Eleftheriou, Evangelos

    2015-10-01

    Carbon-based electronics is a promising alternative to traditional silicon-based electronics as it could enable faster, smaller and cheaper transistors, interconnects and memory devices. However, the development of carbon-based memory devices has been hampered either by the complex fabrication methods of crystalline carbon allotropes or by poor performance. Here we present an oxygenated amorphous carbon (a-COx) produced by physical vapour deposition that has several properties in common with graphite oxide. Moreover, its simple fabrication method ensures excellent reproducibility and tuning of its properties. Memory devices based on a-COx exhibit outstanding non-volatile resistive memory performance, such as switching times on the order of 10 ns and cycling endurance in excess of 104 times. A detailed investigation of the pristine, SET and RESET states indicates a switching mechanism based on the electrochemical redox reaction of carbon. These results suggest that a-COx could play a key role in non-volatile memory technology and carbon-based electronics.

  3. 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 %).

  4. 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.

  5. LOCAL ATOMIC STRUCTURE OF AMORPHOUS METALS

    OpenAIRE

    Egami, T.; Maed, K.; Srolovitz, D.; Vitek, V.

    1980-01-01

    The local parameters are introduced to describe the local atomic structure of amorphous metals. They define the structural defects which facilitate the explanation of various properties, including the volume change by annealing.

  6. Electrochromic study on amorphous tungsten oxide films by sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chuan, E-mail: cli10@yahoo.com [Department of Biomedical Engineering, National Yang Ming University, Taipei 11221, Taiwan (China); Department of Mechanical Engineering, National Central University, Jhongli, Taoyuan 32001, Taiwan (China); Hsieh, J.H. [Department of Materials Engineering, Ming Chi University of Technology, Taishan, Taipei 24301, Taiwan (China); Hung, Ming-Tsung [Department of Mechanical Engineering, National Central University, Jhongli, Taoyuan 32001, Taiwan (China); Huang, B.Q. [Department of Biomedical Engineering, National Yang Ming University, Taipei 11221, Taiwan (China)

    2015-07-31

    Tungsten oxide films under different oxygen flow rates are deposited by DC sputtering. The voltage change at target and analyses for the deposited films by X-ray diffraction, scanning electronic microscope, X-ray photoelectron spectroscopy and ultraviolet–visible-near infrared spectroscopy consistently indicate that low oxygen flow rate (5 sccm) only creates metal-rich tungsten oxide films, while higher oxygen flow rate (10–20 sccm) assures the deposition of amorphous WO{sub 3} films. To explore the electrochromic function of deposited WO{sub 3} films, we use electrochemical tests to perform the insertion of lithium ions and electrons into films. The WO{sub 3} films switch between color and bleach states effectively by both potentiostat and cyclic voltammetry. Quantitative evaluation on electrochemical tests indicates that WO{sub 3} film with composition close to its stoichiometry is an optimal choice for electrochromic function. - Highlights: • Amorphous WO{sub 3} films are deposited by DC sputtering under different O{sub 2} flow rates. • Higher oxygen flow rate (> 10 sccm) assures the deposition of amorphous WO{sub 3} films. • Both potentiostat and cyclic voltammetry make WO{sub 3} films switch its color. • An optimal electrochromic WO{sub 3} is to make films close to its stoichiometry.

  7. Electrochromic study on amorphous tungsten oxide films by sputtering

    International Nuclear Information System (INIS)

    Tungsten oxide films under different oxygen flow rates are deposited by DC sputtering. The voltage change at target and analyses for the deposited films by X-ray diffraction, scanning electronic microscope, X-ray photoelectron spectroscopy and ultraviolet–visible-near infrared spectroscopy consistently indicate that low oxygen flow rate (5 sccm) only creates metal-rich tungsten oxide films, while higher oxygen flow rate (10–20 sccm) assures the deposition of amorphous WO3 films. To explore the electrochromic function of deposited WO3 films, we use electrochemical tests to perform the insertion of lithium ions and electrons into films. The WO3 films switch between color and bleach states effectively by both potentiostat and cyclic voltammetry. Quantitative evaluation on electrochemical tests indicates that WO3 film with composition close to its stoichiometry is an optimal choice for electrochromic function. - Highlights: • Amorphous WO3 films are deposited by DC sputtering under different O2 flow rates. • Higher oxygen flow rate (> 10 sccm) assures the deposition of amorphous WO3 films. • Both potentiostat and cyclic voltammetry make WO3 films switch its color. • An optimal electrochromic WO3 is to make films close to its stoichiometry

  8. New sunscreen materials based on amorphous cerium and titanium phosphate

    International Nuclear Information System (INIS)

    Cerium-titanium pyrophosphates Ce1-xTi xP2O7 (with x = 0, 0.50, and 1.0), which are novel phosphate materials developed as UV-shielding agents for use in cosmetics, were characterized by X-ray diffraction, X-ray fluorescent analysis, UV-vis reflectance, and Raman spectroscopy. Since the optical reflectance shifted to lower wavelengths by the crystallization of the phosphates and the stabilization of the amorphous state of the cerium-titanium pyrophosphates was carried out by doping niobium (Nb). Raman spectroscopic study of the phosphate showed that P-O-P bending and stretching modes decreased with the loading of Nb, accompanying with the formation of Nb-O stretching mode. Therefore, the increase in the amount of the non-bridging oxygen in the amorphous phosphate should be the reason for the inhibition of the crystallization. This stabilization is a significant improvement, which enables to apply these amorphous phosphates not only to cosmetics and paints, but also plastics and films

  9. Physiologically Based Absorption Modeling for Amorphous Solid Dispersion Formulations.

    Science.gov (United States)

    Mitra, Amitava; Zhu, Wei; Kesisoglou, Filippos

    2016-09-01

    Amorphous solid dispersion (ASD) formulations are routinely used to enable the delivery of poorly soluble compounds. This type of formulations can enhance bioavailability due to higher kinetic solubility of the drug substance and increased dissolution rate of the formulation, by the virtue of the fact that the drug molecule exists in the formulation in a high energy amorphous state. In this article we report the application of physiologically based absorption models to mechanistically understand the clinical pharmacokinetics of solid dispersion formulations. Three case studies are shown here to cover a wide range of ASD bioperformance in human and modeling to retrospectively understand their in vivo behavior. Case study 1 is an example of fairly linear PK observed with dose escalation and the use of amorphous solubility to predict bioperformance. Case study 2 demonstrates the development of a model that was able to accurately predict the decrease in fraction absorbed (%Fa) with dose escalation thus demonstrating that such model can be used to predict the clinical bioperformance in the scenario where saturation of absorption is observed. Finally, case study 3 shows the development of an absorption model with the intent to describe the observed incomplete and low absorption in clinic with dose escalation. These case studies highlight the utility of physiologically based absorption modeling in gaining a thorough understanding of ASD performance and the critical factors impacting performance to drive design of a robust drug product that would deliver the optimal benefit to the patients. PMID:27442959

  10. Developments in the Ni-Nb-Zr amorphous alloy membranes

    Science.gov (United States)

    Sarker, S.; Chandra, D.; Hirscher, M.; Dolan, M.; Isheim, D.; Wermer, J.; Viano, D.; Baricco, M.; Udovic, T. J.; Grant, D.; Palumbo, O.; Paolone, A.; Cantelli, R.

    2016-03-01

    Most of the global H2 production is derived from hydrocarbon-based fuels, and efficient H2/CO2 separation is necessary to deliver a high-purity H2 product. Hydrogen-selective alloy membranes are emerging as a viable alternative to traditional pressure swing adsorption processes as a means for H2/CO2 separation. These membranes can be formed from a wide range of alloys, and those based on Pd are the closest to commercial deployment. The high cost of Pd (USD ~31,000 kg-1) is driving the development of less-expensive alternatives, including inexpensive amorphous (Ni60Nb40)100- x Zr x alloys. Amorphous alloy membranes can be fabricated directly from the molten state into continuous ribbons via melt spinning and depending on the composition can exhibit relatively high hydrogen permeability between 473 and 673 K. Here we review recent developments in these low-cost membrane materials, especially with respect to permeation behavior, electrical transport properties, and understanding of local atomic order. To further understand the nature of these solids, atom probe tomography has been performed, revealing amorphous Nb-rich and Zr-rich clusters embedded in majority Ni matrix whose compositions deviated from the nominal overall composition of the membrane.

  11. 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.

  12. Deep subgap feature in amorphous indium gallium zinc oxide: Evidence against reduced indium

    Energy Technology Data Exchange (ETDEWEB)

    Sallis, Shawn; Williams, Deborah S. [Materials Science and Engineering, Binghamton University, Binghamton, New York, 13902 (United States); Quackenbush, Nicholas F.; Senger, Mikell [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York, 13902 (United States); Woicik, Joseph C. [Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland, 20899 (United States); White, Bruce E.; Piper, Louis F.J. [Materials Science and Engineering, Binghamton University, Binghamton, New York, 13902 (United States); Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York, 13902 (United States)

    2015-07-15

    Amorphous indium gallium zinc oxide (a-IGZO) is the archetypal transparent amorphous oxide semiconductor. Despite the gains made with a-IGZO over amorphous silicon in the last decade, the presence of deep subgap states in a-IGZO active layers facilitate instabilities in thin film transistor properties under negative bias illumination stress. Several candidates could contribute to the formation of states within the band gap. Here, we present evidence against In{sup +} lone pair active electrons as the origin of the deep subgap features. No In{sup +} species are observed, only In{sup 0} nano-crystallites under certain oxygen deficient growth conditions. Our results further support under coordinated oxygen as the source of the deep subgap states. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Emerging trends in the stabilization of amorphous drugs

    DEFF Research Database (Denmark)

    Laitinen, Riikka; Löbmann, Korbinian; Strachan, Clare J.;

    2013-01-01

    water-soluble drugs can be increased by the formation of stabilized amorphous forms. Currently, formulation as solid polymer dispersions is the preferred method to enhance drug dissolution and to stabilize the amorphous form of a drug. The purpose of this review is to highlight emerging alternative...... methods to amorphous polymer dispersions for stabilizing the amorphous form of drugs. First, an overview of the properties and stabilization mechanisms of amorphous forms is provided. Subsequently, formulation approaches such as the preparation of co-amorphous small-molecule mixtures and the use...... of mesoporous silicon and silica-based carriers are presented as potential means to increase the stability of amorphous pharmaceuticals....

  14. Laser annealing of hydrogen implanted amorphous silicon

    International Nuclear Information System (INIS)

    Amorphous silicon, prepared by silicon bombardment at energies of 200 to 250 keV, was implanted with 40 keV H2+ to peak concentrations up to 15 at .% and recrystallized in air by single 20 nsec pulses at 1.06 μm from a Nd:glass laser. Amorphous layer formation and recrystallization were verified using Raman spectroscopy and ion backscattering/channeling analysis

  15. Tests Of Amorphous-Silicon Photovoltaic Modules

    Science.gov (United States)

    Ross, Ronald G., Jr.

    1988-01-01

    Progress in identification of strengths and weaknesses of amorphous-silicon technology detailed. Report describes achievements in testing reliability of solar-power modules made of amorphous-silicon photovoltaic cells. Based on investigation of modules made by U.S. manufacturers. Modules subjected to field tests, to accelerated-aging tests in laboratory, and to standard sequence of qualification tests developed for modules of crystalline-silicon cells.

  16. Amorphous Carbon-Boron Nitride Nanotube Hybrids

    Science.gov (United States)

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

    2016-01-01

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

  17. A Magnetic Sensor with Amorphous Wire

    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.

  18. DEFECTS IN AMORPHOUS CHALCOGENIDES AND SILICON

    OpenAIRE

    Adler, D.

    1981-01-01

    Our comprehension of the physical properties of amorphous semiconductors has improved considerably over the past few years, but many puzzles remain. From our present perspective, the major features of chalcogenide glasses appear to be well understood, and some of the fine points which have arisen recently have been explained within the same general model. On the other hand, there are a grear number of unresolved mysteries with regard to amorphous silicon-based alloys. In this paper, the valen...

  19. 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.

  20. The Influence of Pressure on the Intrinsic Dissolution Rate of Amorphous Indomethacin

    Directory of Open Access Journals (Sweden)

    Korbinian Löbmann

    2014-08-01

    Full Text Available 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 of different compression pressures on the IDR was determined from powder compacts of amorphous (ball-milling indomethacin (IND, a glass solution of IND and poly(vinylpyrrolidone (PVP and crystalline IND. Solid state properties were analyzed with X-ray powder diffraction (XRPD and the final compacts were visually observed to study the effects of compaction pressure on their surface properties. It was found that there is no significant correlation between IDR and compression pressure for crystalline IND and IND–PVP. This was in line with the observation of similar surface properties of the compacts. However, 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 of the amorphous form might be underestimated. It is thus suggested that for a reasonable interpretation of the IDR, surface properties of the different analyzed samples should be investigated and for amorphous samples the IDR should be measured also as a function of the compression pressure used to prepare the solid sample for IDR testing.

  1. Amorphization of Laves-Phase Precipitates in Zircaloy-4 by Neutron Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Peters, H.R.; Taylor, D.F.; Yang, Walter J.S.

    1999-04-23

    Examination of corrosion coupons by transmission electron microscopy after their exposure in the Idaho Advanced Test Reactor (ATR) has broadened the Zircaloy-4 precipitate-amorphization database and validated a new kinetic model for previously unavailable values of temperature and fast-neutron flux. The model describes the amorphization of Zr(Fe,Cr){sub 2} intermetallic precipitates in zirconium alloys as a dynamic competition between radiation damage and thermal annealing that leaves some iron atoms available for flux-assisted diffusion to the zirconium matrix. It predicts the width of the amorphous zone as a function of neutron flux (E>1 MeV), temperature, and time. In its simplest form, the model treats the crystalline/amorphous and precipitate/matrix interfaces as parallel planes, and its accuracy decreases for small precipitates and high fluence as the amorphous-zone width approaches precipitate dimensions. The simplest form of the model also considers diffusion to be rate-determining. This is an accurate approximation for steady-state conditions or slow changes in flux and temperature, but inappropriate for the analysis of faster transients. The paper addresses several difficulties inherent in measuring amorphous-zone width, and utilizes the expanded database to evaluate the improvements in predictive accuracy available through both conversion of the model to spherical coordinates and extension of its time dependency.

  2. Unipolar time-differential charge sensing in non-dispersive amorphous solids

    Energy Technology Data Exchange (ETDEWEB)

    Goldan, A. H. [Department of Radiology, School of Medicine, Stony Brook University, Stony Brook, New York 11794-8460 (United States); Rowlands, J. A. [Thunder Bay Regional Research Institute, Thunder Bay, Ontario P7B 6V4 (Canada); Tousignant, O. [ANRAD Corporation, 4950 Levy Street, Saint-Laurent, Quebec H4R 2P1 (Canada); Karim, K. S. [Electrical and Computer Engineering, University of Waterloo, Waterloo, Ontario N2L 3G1 (Canada)

    2013-06-14

    The use of high resistivity amorphous solids as photodetectors, especially amorphous selenium, is currently of great interest because they are readily produced over large area at substantially lower cost compared to grown crystalline solids. However, amorphous solids have been ruled out as viable radiation detection media for high frame-rate applications, such as single-photon-counting imaging, because of low carrier mobilities, transit-time-limited photoresponse, and consequently, poor time resolution. To circumvent the problem of poor charge transport in amorphous solids, we propose unipolar time-differential charge sensing by establishing a strong near-field effect using an electrostatic shield within the material. For the first time, we have fabricated a true Frisch grid inside a solid-state detector by evaporating amorphous selenium over photolithographically prepared multi-well substrates. The fabricated devices are characterized with optical, x-ray, and gamma-ray impulse-like excitations. Results prove the proposed unipolar time-differential property and show that time resolution in non-dispersive amorphous solids can be improved substantially to reach the theoretical limit set by spatial spreading of the collected Gaussian carrier cloud.

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

    Science.gov (United States)

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

    2016-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  5. A Comparison of Photo-Induced Hysteresis Between Hydrogenated Amorphous Silicon and Amorphous IGZO Thin-Film Transistors.

    Science.gov (United States)

    Ha, Tae-Jun; Cho, Won-Ju; Chung, Hong-Bay; Koo, Sang-Mo

    2015-09-01

    We investigate photo-induced instability in thin-film transistors (TFTs) consisting of amorphous indium-gallium-zinc-oxide (a-IGZO) as active semiconducting layers by comparing with hydrogenated amorphous silicon (a-Si:H). An a-IGZO TFT exhibits a large hysteresis window in the illuminated measuring condition but no hysteresis window in the dark condition. On the contrary, a large hysteresis window measured in the dark condition in a-Si:H was not observed in the illuminated condition. Even though such materials possess the structure of amorphous phase, optical responses or photo instability in TFTs looks different from each other. Photo-induced hysteresis results from initially trapped charges at the interface between semiconductor and dielectric films or in the gate dielectric which possess absorption energy to interact with deep trap-states and affect the movement of Fermi energy level. In order to support our claim, we also perform CV characteristics in photo-induced hysteresis and demonstrate thermal-activated hysteresis. We believe that this work can provide important information to understand different material systems for optical engineering which includes charge transport and band transition.

  6. A Comparison of Photo-Induced Hysteresis Between Hydrogenated Amorphous Silicon and Amorphous IGZO Thin-Film Transistors.

    Science.gov (United States)

    Ha, Tae-Jun; Cho, Won-Ju; Chung, Hong-Bay; Koo, Sang-Mo

    2015-09-01

    We investigate photo-induced instability in thin-film transistors (TFTs) consisting of amorphous indium-gallium-zinc-oxide (a-IGZO) as active semiconducting layers by comparing with hydrogenated amorphous silicon (a-Si:H). An a-IGZO TFT exhibits a large hysteresis window in the illuminated measuring condition but no hysteresis window in the dark condition. On the contrary, a large hysteresis window measured in the dark condition in a-Si:H was not observed in the illuminated condition. Even though such materials possess the structure of amorphous phase, optical responses or photo instability in TFTs looks different from each other. Photo-induced hysteresis results from initially trapped charges at the interface between semiconductor and dielectric films or in the gate dielectric which possess absorption energy to interact with deep trap-states and affect the movement of Fermi energy level. In order to support our claim, we also perform CV characteristics in photo-induced hysteresis and demonstrate thermal-activated hysteresis. We believe that this work can provide important information to understand different material systems for optical engineering which includes charge transport and band transition. PMID:26716230

  7. Chromic mechanism in amorphous WO{sub 3} films

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, J G; Benson, D K; Tracy, C E; Deb, S K; Czanderna, A W [National Renewable Energy Lab., Golden, CO (United States); Bechinger, C [Universitaet Konstanz (Germany)

    1996-11-01

    The authors propose a new model for the chromic mechanism in amorphous tungsten oxide films (WO{sub 3{minus}y}{center_dot}nH{sub 2}O). This model not only explains a variety of seemingly conflicting experimental results reported in the literature that cannot be explained by existing models, it also has practical implications with respect to improving the coloring efficiency and durability of electrochromic devices. According to this model, a typical as-deposited tungsten oxide film has tungsten mainly in W{sup 6+} and W{sup 4+} states and can be represented as W{sub 1{minus}y}{sup 6+} W{sub y}{sup 4+}O{sub 3{minus}y}{center_dot}nH{sub 2}O. The proposed chromic mechanism is based on the small polaron transition between the charge-induced W{sup 5+} state and the original W{sup 4+} state instead of the W{sup 5+} and W{sup 6+} states as suggested in previous models. The correlation between the electrochromic and photochromic behavior in amorphous tungsten oxide films is also discussed.

  8. Spectroscopic and mechanical studies on the Fe-based amorphous alloy 2605SA1

    Energy Technology Data Exchange (ETDEWEB)

    Cabral P, A.; Garcia S, I. [ININ, Departamento de Quimica, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Contreras V, J. A.; Garcia S, F. [Universidad Autonoma del Estado de Mexico, Facultad de Ciencias, El Cerrillo Piedras Blancas, Toluca, Estado de Mexico (Mexico); Nava, N., E-mail: agustin.cabral@inin.gob.m [Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas No. 152, Col. San Bartolo Atepehuacan, 07730 Mexico D. F. (Mexico)

    2010-07-01

    The Vickers micro-hardness of this alloy was unusually dependent on the heat treatment from 300 to 634 K, inferring important micro-structural changes and the presence of amorphous grains before its phase transition. Once the alloy is crystallized, the micro-hardness is characteristic of a brittle alloy, the main problem of these alloys. Within the amorphous state, other properties like free-volume, magnetic states and Fe-Fe distances were followed by Positron annihilation lifetime spectroscopy and Moessbauer spectroscopy, respectively, to analyze those micro-structural changes, thermally induced, which are of paramount interest to understand their brittleness problem. (Author)

  9. 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

    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 of...... Physics....

  10. 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. PMID:24075979

  11. Hydrogen, microstructure and defect density in hydrogenated amorphous silicon

    OpenAIRE

    Roca I Cabarrocas, Pere; Djebbour, Z.; Kleider, J.; Longeaud, C.; Mencaraglia, D.; Sib, J.; Bouizem, Y.; Thèye, M.; Sardin, G.; Stoquert, J.

    1992-01-01

    It is well established that by bonding with the dangling bonds of silicon, hydrogen reduces the density of states of amorphous silicon and renders this material suitable to electronic applications. For so-called “standard” a-Si : H films deposited by the RF glow discharge decomposition of silane at low deposition rates (≈1 Å/s) and over a large range of deposition temperatures, we observed the usual correlation between the hydrogen bonding and the defect density in the as-deposited material o...

  12. Eigenmode Splitting in all Hydrogenated Amorphous Silicon Nitride Coupled Microcavity

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xian-Gao; HUANG Xin-Fan; CHEN Kun-Ji; QIAN Bo; CHEN San; DING Hong-Lin; LIU Sui; WANG Xiang; XU Jun; LI Wei

    2008-01-01

    Hydrogenated amorphous silicon nitride based coupled optical microcavity is investigated theoretically and experimentally. The theoretical calculation of the transmittance spectra of optical microcavity with one cavity and coupled microcavity with two-cavity is performed.The optical eigenmode splitting for coupled microcavity is found due to the interaction between the neighbouring localized cavities.Experimentally,the coupled cavity samples are prepared by plasma enhanced chemical vapour deposition and characterized by photoluminescence measurements.It is found that the photoluminescence peak wavelength agrees well with the cavity mode in the calculated transmittance spectra.This eigenmode splitting is analogous to the electron state energy splitting in diatom molecules.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  14. Molecular dynamics simulation of amorphous segregation inAg-Rh alloys

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jingxiang; BIAN Xiufang

    2003-01-01

    Molecular dynamics simulation was carried out to investigate the liquid and amorphous microstructures of binary Agx-Rh(100-x) (x = 25, 50, 75 in atom fraction) alloys. Segregation feature of homogeneous interatomic binding of Ag-Rh liquid was found and probed, which can be retained into amorphous solids upon rapid cooling. Homogeneous binding may occur when the difference in the elemental atomic sizes is less than 10%. The icosahedra in liquid before the formation of amorphous state exist in a stable state and the network formed by 1551-clusters in molten alloys would inhibit the crystallization and diffusion of atoms. A higher degree of 155 1-clusters will be favorable to form metallic glasses.

  15. 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.

  16. Amorphous Diamond MEMS and Sensors

    Energy Technology Data Exchange (ETDEWEB)

    SULLIVAN, JOHN P.; FRIEDMANN, THOMAS A.; ASHBY, CAROL I.; DE BOER, MAARTEN P.; SCHUBERT, W. KENT; SHUL, RANDY J.; HOHLFELDER, ROBERT J.; LAVAN, D.A.

    2002-06-01

    This report describes a new microsystems technology for the creation of microsensors and microelectromechanical systems (MEMS) using stress-free amorphous diamond (aD) films. Stress-free aD is a new material that has mechanical properties close to that of crystalline diamond, and the material is particularly promising for the development of high sensitivity microsensors and rugged and reliable MEMS. Some of the unique properties of aD include the ability to easily tailor film stress from compressive to slightly tensile, hardness and stiffness 80-90% that of crystalline diamond, very high wear resistance, a hydrophobic surface, extreme chemical inertness, chemical compatibility with silicon, controllable electrical conductivity from insulating to conducting, and biocompatibility. A variety of MEMS structures were fabricated from this material and evaluated. These structures included electrostatically-actuated comb drives, micro-tensile test structures, singly- and doubly-clamped beams, and friction and wear test structures. It was found that surface micromachined MEMS could be fabricated in this material easily and that the hydrophobic surface of the film enabled the release of structures without the need for special drying procedures or the use of applied hydrophobic coatings. Measurements using these structures revealed that aD has a Young's modulus of {approx}650 GPa, a tensile fracture strength of 8 GPa, and a fracture toughness of 8 MPa{center_dot}m {sup 1/2}. These results suggest that this material may be suitable in applications where stiction or wear is an issue. Flexural plate wave (FPW) microsensors were also fabricated from aD. These devices use membranes of aD as thin as {approx}100 nm. The performance of the aD FPW sensors was evaluated for the detection of volatile organic compounds using ethyl cellulose as the sensor coating. For comparable membrane thicknesses, the aD sensors showed better performance than silicon nitride based sensors. Greater

  17. Crystallographic analysis of amorphization caused by ion irradiation

    CERN Document Server

    Nakagawa, S T; Ono, T; Hada, Y; Betz, G

    2003-01-01

    Ion irradiation often causes amorphization in a crystal. We have presented a new crystallographic analysis that defines a new type of order parameter, which we call pixel mapping (PM). PM can describe algebraically to what extent and how the crystallinity has changed under ion bombardment. In other words, PM describes the long-range-order (LRO) interactions, based on the crystallography. PM can be effectively used, when it is incorporated in a classical molecular dynamics (MD) calculation. In the case of B ions implanted into a Si crystal, we observed crystal to amorphous (CA) transitions under energetic ion bombardment at low temperature. The PM profiling was more effective to reveal the CA transition than other atomistic methods of analyses as radial distribution function g(r) or vacancy mapping N sub v. PM could distinguish between perfect crystalline states, transition states, and random states. Moreover, PM revealed that the lattice reaction was cooperative even in a mesoscopic volume, e.g. in a cube of ...

  18. Understanding Thermal Conductivity in Amorphous Materials

    Science.gov (United States)

    Kommandur, Sampath; Yee, Shannon

    2014-03-01

    Current energy technologies such as thermoelectrics, photovoltaics, and LEDs make extensive use of amorphous materials and are limited by heat transfer. Device improvements necessitate a better understanding of the thermal conductivity in amorphous materials. While there are basic theories that capture the trends in thermal conductivity of a select set of amorphous materials, a general framework is needed to explain the fundamental transport of heat in all amorphous materials. One empirical theory that has been successful at describing the thermal conductivity in some materials is the k-min model, however, assumptions in that model limit its generalizability. Another theory defines the existence of propagons, diffusons, and locons, which constitute vibrational modes that carry heat. Our work first presents a summary of literature on the thermal conductivity in amorphous materials and then compares those theories to a breadth of experimental data. Based upon those results, a generic model is proposed that is widely applicable with the ultimate goal of this work being to describe the temperature dependent thermal conductivity of polymers. -/abstract- Sampath Kommandur and Shannon K. Yee 21.1.1: Thermoelectric Phenomena, Materials, Devices, and Applications (GER

  19. Crystallization of amorphous Zr-Be alloys

    Science.gov (United States)

    Golovkova, E. A.; Surkov, A. V.; Syrykh, G. F.

    2015-02-01

    The thermal stability and structure of binary amorphous Zr100 - x Be x alloys have been studied using differential scanning calorimetry and neutron diffraction over a wide concentration range (30 ≤ x ≤ 65). The amorphous alloys have been prepared by rapid quenching from melt. The studied amorphous system involves the composition range around the eutectic composition with boundary phases α-Zr and ZrBe2. It has been found that the crystallization of alloys with low beryllium contents ("hypoeutectic" alloys with x ≤ 40) proceeds in two stages. Neutron diffraction has demonstrated that, at the first stage, α-Zr crystallizes and the remaining amorphous phase is enriched to the eutectic composition; at the second stage, the alloy crystallizes in the α-Zr and ZrBe2 phases. At higher beryllium contents ("hypereutectic" alloys), one phase transition of the amorphous phase to a mixture of the α-Zr and ZrBe2 phases has been observed. The concentration dependences of the crystallization temperature and activation energy have been revealed.

  20. Amorphous silicon detectors in positron emission tomography

    International Nuclear Information System (INIS)

    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 ε2τ'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

  1. 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.

  2. Effect of the nanocrystallization of amorphous soft magnetic Fe-P-Nb alloys on corrosion resistance in a damp SO2-polluted atmosphere

    Science.gov (United States)

    Vavilova, V. V.; Zabolotnyi, V. T.; Korneev, V. P.; Anosova, M. O.; Baldokhin, Yu. V.

    2014-09-01

    The effect of the nanocrystallization of amorphous soft magnetic Fe-P-Nb alloys on their electrochemical behavior in a damp SO2-polluted industrial atmosphere is studied. It is shown that their electro-chemical characteristics shit toward positive values when the phosphorus content in the Fe-P-Nb alloys increases and when they undergo nanocrystallization from an amorphous state.

  3. Short range ordering and microstructure property relationship in amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Shariq, A.

    2006-07-01

    A novel algorithm, ''Next Neighbourhood Evaluation (NNE)'', is enunciated during the course of this work, to elucidate the next neighbourhood atomic vicinity from the data, analysed using tomographic atom probe (TAP) that allows specifying atom positions and chemical identities of the next neighbouring atoms for multicomponent amorphous materials in real space. The NNE of the Pd{sub 55}Cu{sub 23}P{sub 22} bulk amorphous alloy reveals that the Pd atoms have the highest probability to be the next neighbours to each other. Moreover, P-P correlation corroborates earlier investigations with scattering techniques that P is not a direct next neighbour to another P atom. Analogous investigations on the Fe{sub 40}Ni{sub 40}B{sub 20} metallic glass ribbons, in the as quenched state and for a state heat treated at 350 C for 1 hour insinuate a pronounced elemental inhomogeneity for the annealed state, though, it also depicts glimpse of a slight inhomogeneity for B distribution even for the as quenched sample. Moreover, a comprehensive microstructural investigation has been carried out on the Zr{sub 53}Co{sub 23.5}Al{sub 23.5} glassy system. TEM and TAP investigations evince that the as cast bulk samples constitutes a composite structure of an amorphous phase and crystalline phase(s). The crystallization is essentially triggered at the mould walls due to heterogeneous nucleation. The three dimensional atomic reconstruction maps of the volume analysed by TAP reveal a complex stereological interconnected network of two phases. The phase that is rich in Zr and Al concentration is depleted in Co concentration while the phase that is rich in Co concentration is depleted both in Zr and Al. Zr{sub 53}Co{sub 23.5}Al{sub 23.5} glassy splat samples exhibit a single exothermic crystallization peak contrary to the as cast bulk sample with a different T{sub g} temperature. A single homogeneous amorphous phase revealed by TEM investigations depicts that the faster cooling

  4. LOW TEMPERATURE OPTICAL PROPERTIES OF AMORPHOUS OXIDE NANOCLUSTERS IN POLYMETHYL METHACRYLATE MATRIX

    Institute of Scientific and Technical Information of China (English)

    V. V. VOLKOV; WANG ZHONG-LIN; Zou BING-SUO; XIE SI-SHEN

    2000-01-01

    We studied the temperature-dependent steady-state and time-resolved fluorescence properties of very small (1-2 nm) ZnO, CdO, and PbO amorphous nanoclusters prepared in AOT reverse micelles and imbedded in polymethyl methacrylate(PMMA) films. X-ray diffraction and electron diffraction and imaging indicate that these structures are amorphous. These amorphous oxide nanoclusters demonstrate similar structural, electronic, and optical properties. Properties of steady-state fluorescence spectra indicate the unique localization of electronic states due to the amorphous structure. ZnO and CdO show double-band fluorescence structure, which is due to the spin-orbital splitting, similar to Cu2O. Time-resolved fluorescence studies of the nanoclusters in the polymer reveal two lifetime components, as found in solution. The slow component reflects relaxation processes from band-tail states while the fast component may be related to high-lying extended states. The temperature dependence of fast fluorescence component reveals the presence of exciton hopping between anharmonic wells at temperatures higher than 200K. We correlate the barrier height between two wells formed around local atoms with the inter-atomic distance and bond ionicity.

  5. Strain Rate Induced Amorphization in Metallic Nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Y.; Cagin, T.; Goddard, W.A. III [Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125 (United States); Ikeda, H.; Samwer, K.; Johnson, W.L. [Keck Laboratory of Engineering Materials, California Institute of Technology, Pasadena, California 91125 (United States)

    1999-04-01

    Using molecular dynamics simulations with a many-body force field, we studied the deformation of single crystal Ni and NiCu random alloy nanowires subjected to uniform strain rates but kept at 300thinspthinspK. For all strain rates, the Ni nanowire is elastic up to 7.5{percent} strain with a yield stress of 5.5thinspthinspGPa, far above that of bulk Ni. At high strain rates, we find that for both systems the crystalline phase transforms continuously to an amorphous phase, exhibiting a dramatic change in atomic short-range order and a near vanishing of the tetragonal shear elastic constant perpendicular to the tensile direction. This amorphization which occurs directly from the homogeneous, elastically deformed system with no chemical or structural inhomogeneities exhibits a new mode of amorphization. {copyright} {ital 1999} {ital The American Physical Society}

  6. Amorphous metallic films in silicon metallization systems

    Science.gov (United States)

    So, F.; Kolawa, E.; Nicolet, M. A.

    1985-01-01

    Diffusion barrier research was focussed on lowering the chemical reactivity of amorphous thin films on silicon. An additional area of concern is the reaction with metal overlays such as aluminum, silver, and gold. Gold was included to allow for technology transfer to gallium arsenide PV cells. Amorphous tungsten nitride films have shown much promise. Stability to annealing temperatures of 700, 800, and 550 C were achieved for overlays of silver, gold, and aluminum, respectively. The lower results for aluminum were not surprising because there is an eutectic that can form at a lower temperature. It seems that titanium and zirconium will remove the nitrogen from a tungsten nitride amorphous film and render it unstable. Other variables of research interest were substrate bias and base pressure during sputtering.

  7. Nanoindentation-induced amorphization in silicon carbide

    Science.gov (United States)

    Szlufarska, Izabela; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

    2004-07-01

    The nanoindentation-induced amorphization in SiC is studied using molecular dynamics simulations. The load-displacement response shows an elastic shoulder followed by a plastic regime consisting of a series of load drops. Analyses of bond angles, local pressure, and shear stress, and shortest-path rings show that these drops are related to dislocation activities under the indenter. We show that amorphization is driven by coalescence of dislocation loops and that there is a strong correlation between load-displacement response and ring distribution.

  8. Raman Amplifier Based on Amorphous Silicon Nanoparticles

    OpenAIRE

    M.A. Ferrara; Rendina, I.; S. N. Basu; Dal Negro, L.; Sirleto, L.

    2012-01-01

    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 la...

  9. Co-Amorphous Combination of Nateglinide-Metformin Hydrochloride for Dissolution Enhancement.

    Science.gov (United States)

    Wairkar, Sarika; Gaud, Ram

    2016-06-01

    The aim of the present work was to prepare a co-amorphous mixture (COAM) of Nateglinide and Metformin hydrochloride to enhance the dissolution rate of poorly soluble Nateglinide. Nateglinide (120 mg) and Metformin hydrochloride (500 mg) COAM, as a dose ratio, were prepared by ball-milling technique. COAMs were characterized for saturation solubility, amorphism and physicochemical interactions (X-ray powder diffraction (XRPD), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR)), SEM, in vitro dissolution, and stability studies. Solubility studies revealed a sevenfold rise in solubility of Nateglinide from 0.061 to 0.423 mg/ml in dose ratio of COAM. Solid-state characterization of COAM suggested amorphization of Nateglinide after 6 h of ball milling. XRPD and DSC studies confirmed amorphism in Nateglinide, whereas FTIR elucidated hydrogen interactions (proton exchange between Nateglinide and Metformin hydrochloride). Interestingly, due to low energy of fusion, Nateglinide was completely amorphized and stabilized by Metformin hydrochloride. Consequently, in vitro drug release showed significant increase in dissolution of Nateglinide in COAM, irrespective of dissolution medium. However, little change was observed in the solubility and dissolution profile of Metformin hydrochloride, revealing small change in its crystallinity. Stability data indicated no traces of devitrification in XRPD of stability sample of COAM, and % drug release remained unaffected at accelerated storage conditions. Amorphism of Nateglinide, proton exchange with Metformin hydrochloride, and stabilization of its amorphous form have been noted in ball-milled COAM of Nateglinide-Metformin hydrochloride, revealing enhanced dissolution of Nateglinide. Thus, COAM of Nateglinide-Metformin hydrochloride system is a promising approach for combination therapy in diabetic patients. PMID:26314243

  10. Polymeric amorphous carbon as p-type window within amorphous silicon solar cells

    OpenAIRE

    Khan, R U A; Silva, S. R. P.; Van Swaaij, R.A.C.M.M.

    2003-01-01

    Amorphous carbon (a-C) has been shown to be intrinsically p-type, and polymeric a-C (PAC) possesses a wide Tauc band gap of 2.6 eV. We have replaced the p-type amorphous silicon carbide layer of a standard amorphous silicon solar cell with an intrinsic ultrathin layer of PAC. The thickness of the p layer had to be reduced from 9 to 2.5 nm in order to ensure sufficient conduction through the PAC film. Although the resulting external parameters suggest a decrease in the device efficiency from 9...

  11. Interfacial electrical properties of ion-beam sputter deposited amorphous carbon on silicon

    Science.gov (United States)

    Khan, A. A.; Woollam, J. A.; Chung, Y.; Banks, B.

    1983-01-01

    Amorphous, 'diamond-like' carbon films have been deposited on Si substrates, using ion-beam sputtering. The interfacial properties are studied using capacitance and conductance measurements. Data are analyzed using existing theories for interfacial electrical properties. The density of electronic states at the interface, along with corresponding time constants are determined.

  12. A New Physical Metallurgy Phenomenon-the Shock Wave Nanocrystallization of Amorphous Alloys

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Some results of amorphous alloy nanocrystallization by shock wave are presented. Compared with the well knownannealing crystallization, these results seem novel and are very difficult to be explained by the diffusion theory, such asnucleation and growth mechanism in the solid state phase transitions. The shock wave crystallization of amorphousalloy is a new metallurgical phenomenon with possibilities for improving the crystallization theory in physics.

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

    DEFF Research Database (Denmark)

    Herrmann, Rochus; Greilich, Steffen; Grzanka, Leszek;

    2011-01-01

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

  14. Relaxation and crystallization of amorphous carbamazepine studied by terahertz pulsed spectroscopy

    DEFF Research Database (Denmark)

    Zeitler, J Axel; Taday, Philip F; Pepper, Michael;

    2007-01-01

    At the example of carbamazepine the crystallization of a small organic molecule from its amorphous phase was studied using in situ variable temperature terahertz pulsed spectroscopy (TPS). Even though terahertz spectra of disordered materials in the glassy state exhibit no distinct spectral featu...

  15. 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.

  16. AuPd CATALYTIC NANOPARTICLE SIZE EFFECT ON THE FORMATION OF AMORPHOUS SILICON NANOWIRES

    Institute of Scientific and Technical Information of China (English)

    LIU ZU-QIN; SUN LIAN-FENG; TANG DONG-SHENG; ZHOU WEI-YA; LI YU-BAO; Zou XIAO-PING

    2000-01-01

    Amorphous silicon (a-Si) nanowires have been prepared on SiO2/Si substrates by AuPd nanoparticles / silane reaction method. Field-emission scanning electron microscopy and transmission electron microscopy were used to characterize the samples. The typical a-Si nanowires we obtained are of a uniform diameter about 20 nm and length up to several micrometers. The growth mechanism of the nanowires seems to be the vapor-liquid-solid mechanism. The catalytic particle size effect on the formation of the nanowires and the cause of forming amorphous state Si nanowires are discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-01-15

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

  18. Compression Behaviour of Ni77P23 Amorphous Alloy up to 30.5 GPa

    Institute of Scientific and Technical Information of China (English)

    LI Gong; ZHANG Xin-Yu; SUN Yi-Nan; QIAN Yu-Qing; LIU Jing; LIU Ri-Ping

    2005-01-01

    @@ The compression behaviour of Ni77P23 amorphous alloy is investigated at room temperature in a diamond-anvil cell instrument using in-situ high pressure energy dispersive x-ray diffraction with a synchrotron radiation source.The equation of state is determined by fitting the experimental data according to the Birch-Murnaghan equation.It is found that the structure of Ni77P23 amorphous alloy is stable under pressures up to 30.5GPa. Within the pressure range from zero to the experimental one, the pressure-induced structural relaxation is reversible.

  19. Dissolution properties of co-amorphous drug-amino acid formulations in buffer and biorelevant media

    DEFF Research Database (Denmark)

    Heikkinen, A. T.; DeClerck, L.; Löbmann, Korbinian;

    2015-01-01

    -amorphous formulations have been tested only in buffers and their supersaturation ability remain unexplored. Consequently, dissolution studies in simulated intestinal fluids need to be conducted in order to better evaluate the potential of these systems in increasing the oral bioavailability of biopharmaceutics...... classification system class II drugs. In this study, solubility and dissolution properties of the co-amorphous simvastatin-lysine, gibenclamideserine, glibenclamide-threonine and glibenclamide-serine-threonine were studied in phosphate buffer pH 7.2 and biorelevant media (fasted and fed state simulated...

  20. Vibrational properties of amorphous semiconductors

    International Nuclear Information System (INIS)

    A model for the lattice dynamics of a-Si1-X NX is introduced. This model is based on a Born hamiltonian, solved in the Bethe lattice approximation. Starting from the local density of vibrational states, we analize the infrared absoption spectra of this material. (author)

  1. Clozapine-carboxylic acid plasticized co-amorphous dispersions: Preparation, characterization and solution stability evaluation

    Directory of Open Access Journals (Sweden)

    Ali Ahmed Mahmoud Abdelhaleem

    2015-06-01

    Full Text Available This study addressed the possibility of forming of co-amorphous systems between clozapine (CZ and various carboxylic acid plasticizers (CAPs. The aim was to improve the solubility and oral bioavailability of clozapine. Co-amorphous dispersions were prepared using modified solvent evaporation methodology at drug/plasticizer stoichiometric ratios of 1:1, 1:1.5 and 1:2. Solid state characterization was performed using differential scanning calorimetry, X-ray diffraction and infra red spectroscopy. Highly soluble homogeneous co-amorphous dispersions were formed between clozapine and CAPs via hydrogen bonding. The co-amorphous dispersions formed with tartaric acid (1:2 showed the highest dissolution percentage (> 95 % in 20 minutes compared to pure crystalline CZ (56 %. Highly stable solutions were obtained from co-amorphous CZ-citric and CZ-tartaric acid at 1:1.5 molar ratio. The prepared dispersions suggest the possibility of peroral or sublingual administration of highly soluble clozapine at a reduced dose with the great chance to bypass the first pass metabolism.

  2. Inhibition of Recrystallization of Amorphous Lactose in Nanocomposites Formed by Spray-Drying.

    Science.gov (United States)

    Hellrup, Joel; Alderborn, Göran; Mahlin, Denny

    2015-11-01

    This study aims at investigating the recrystallization of amorphous lactose in nanocomposites. In particular, the focus is on the influence of the nano- to micrometer length scale nanofiller arrangement on the amorphous to crystalline transition. Further, the relative significance of formulation composition and manufacturing process parameters for the properties of the nanocomposite was investigated. Nanocomposites of amorphous lactose and fumed silica were produced by co-spray-drying. Solid-state transformation of the lactose was studied at 43%, 84%, and 94% relative humidity using X-ray powder diffraction and microcalorimetry. Design of experiments was used to analyze spray-drying process parameters and nanocomposite composition as factors influencing the time to 50% recrystallization. The spray-drying process parameters showed no significant influence. However, the recrystallization of the lactose in the nanocomposites was affected by the composition (fraction silica). The recrystallization rate constant decreased as a function of silica content. The lowered recrystallization rate of the lactose in the nanocomposites could be explained by three mechanisms: (1) separation of the amorphous lactose into discrete compartments on a micrometer length scale (compartmentalization), (2) lowered molecular mobility caused by molecular interactions between the lactose molecules and the surface of the silica (rigidification), and/or (3) intraparticle confinement of the amorphous lactose. PMID:26182904

  3. X-ray photoelectron spectroscopic study of nitrogen incorporated amorphous carbon films embedded with nanoparticles

    International Nuclear Information System (INIS)

    The effect of substrate bias on X-ray photoelectron spectroscopy (XPS) study of nitrogen incorporated amorphous carbon (a-C:N) films embedded with nanoparticles deposited by filtered cathodic jet carbon arc technique is discussed. High resolution transmission electron microscope exhibited initially the amorphous structure but on closer examination the film was constituted of amorphous phase with the nanoparticle embedded in the amorphous matrix. X-ray diffraction study reveals dominantly an amorphous nature of the film. A straight forward method of deconvolution of XPS spectra has been used to evaluate the sp3 and sp2 contents present in these a-C:N films. The carbon (C 1s) peaks have been deconvoluted into four different peaks and nitrogen (N 1s) peaks have been deconvoluted into three different peaks which attribute to different bonding state between C, N and O. The full width at half maxima (FWHM) of C 1s peak, sp3 content and sp3/sp2 ratio of a-C:N films increase up to -150 V substrate bias and beyond -150 V substrate bias these parameters are found to decrease. Thus, the parameters evaluated are found to be dependent on the substrate bias which peaks at -150 V substrate bias.

  4. Inhibition of Recrystallization of Amorphous Lactose in Nanocomposites Formed by Spray-Drying.

    Science.gov (United States)

    Hellrup, Joel; Alderborn, Göran; Mahlin, Denny

    2015-11-01

    This study aims at investigating the recrystallization of amorphous lactose in nanocomposites. In particular, the focus is on the influence of the nano- to micrometer length scale nanofiller arrangement on the amorphous to crystalline transition. Further, the relative significance of formulation composition and manufacturing process parameters for the properties of the nanocomposite was investigated. Nanocomposites of amorphous lactose and fumed silica were produced by co-spray-drying. Solid-state transformation of the lactose was studied at 43%, 84%, and 94% relative humidity using X-ray powder diffraction and microcalorimetry. Design of experiments was used to analyze spray-drying process parameters and nanocomposite composition as factors influencing the time to 50% recrystallization. The spray-drying process parameters showed no significant influence. However, the recrystallization of the lactose in the nanocomposites was affected by the composition (fraction silica). The recrystallization rate constant decreased as a function of silica content. The lowered recrystallization rate of the lactose in the nanocomposites could be explained by three mechanisms: (1) separation of the amorphous lactose into discrete compartments on a micrometer length scale (compartmentalization), (2) lowered molecular mobility caused by molecular interactions between the lactose molecules and the surface of the silica (rigidification), and/or (3) intraparticle confinement of the amorphous lactose.

  5. Removing and Recovering Phosphate from Poultry Wastewater Using Amorphous Ceramics

    OpenAIRE

    Youhui Xie; Qin Li; Xianzhi Zhao; Yi Luo; Yangming Wang; Xiangwei Peng; Qigui Wang; Jian Su; Yin Lu

    2014-01-01

    A novel and effective technique for phosphate from poultry wastewater was developed using amorphous ceramics. Amorphous ceramics, which showed high performance for phosphate removal and recovery from poultry wastewater, were synthesized using unlimitedly available, inexpensive materials such as silica fume and lime. Dissolved phosphate in poultry wastewater can be deposited as a solid on the surface of amorphous ceramics. Phosphate content on the surface of amorphous ceramics could reach 14.2...

  6. 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

  7. 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

  8. 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...

  9. Compaction of amorphous iron–boron powder

    DEFF Research Database (Denmark)

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

    1993-01-01

    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...

  10. 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.

  11. Ductile Fe-based amorphous alloy

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hong-Kyu; Lee, Kwang-Bok [Department of Materials Science and Engineering, Korea University, Seoul 136-701 (Korea, Republic of); Lee, Jae-Chul, E-mail: jclee001@korea.ac.kr [Department of Materials Science and Engineering, Korea University, Seoul 136-701 (Korea, Republic of)

    2012-08-30

    Highlights: Black-Right-Pointing-Pointer Fe-based amorphous alloy with a strength and fracture strain of 4.7 GPa and 8.0% was synthesized. Black-Right-Pointing-Pointer Addition of a minute amount of V promoted the phase separation of the constituent elements. Black-Right-Pointing-Pointer Phase separation lowered alloys' packing density and alleviated the degree of strain localization. - Abstract: Experiments demonstrated that the addition of a minute amount of V to Fe{sub 52}Co{sub (20-x)}B{sub 20}Si{sub 4}Nb{sub 4}V{sub x} amorphous alloy induces atomic-scale phase separation, which dramatically enhances the plasticity. Especially, Fe{sub 52}Co{sub 17.5}B{sub 20}Si{sub 4}Nb{sub 4}V{sub 2.5} amorphous alloy exhibited a strength of 4.7 GPa and a fracture strain of 8.0%, which is the largest strain reported for Fe-based amorphous alloys. In this study, the structural origin of the enhanced plasticity is explored by examining the role played by the phase separating element on the packing density and strain localization.

  12. Preparation of hydrogenated amorphous silicon tin alloys

    OpenAIRE

    Vergnat, M.; Marchal, G.; Piecuch, M.

    1987-01-01

    This paper describes a new method to obtain hydrogenated amorphous semiconductor alloys. The method is reactive co-evaporation. Silicon tin hydrogenated alloys are prepared under atomic hydrogen atmosphere. We discuss the influence of various parameters of preparation (hydrogen pressure, tungsten tube temperature, substrate temperature, annealing...) on electrical properties of samples.

  13. 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...

  14. Induced growth of high quality ZnO thin films by crystallized amorphous ZnO

    Institute of Scientific and Technical Information of China (English)

    Wang Zhi-Jun; Song Li-Jun; Li Shou-Chun; Lu You-Ming; Tian Yun-Xia; Liu Jia-Yi; Wang Lian-Yuan

    2006-01-01

    This paper reports the induced growth of high quality ZnO thin film by crystallized amorphous ZnO. Firstly amorphous ZnO was prepared by solid-state pyrolytic reaction, then by taking crystallized amorphous ZnO as seeds (buffer layer), ZnO thin films have been grown in diethyene glycol solution of zinc acetate at 80℃. X-ray Diffraction curve indicates that the films were preferentially oriented [001] out-of-plane direction of the ZnO. Atomic force microscopy and scanning electron microscopy were used to evaluate the surface morphology of the ZnO thin film. Photoluminescence spectrum exhibits a strong ultraviolet emission while the visible emission is very weak. The results indicate that high quality ZnO thin film was obtained.

  15. Ab initio investigation of the structural and electronic properties of amorphous HgTe

    International Nuclear Information System (INIS)

    We present the structure and electronic properties of amorphous mercury telluride obtained from first-principle calculations. The initial configuration of amorphous mercury telluride is created by computation alchemy. According to different exchange–correlation functions in our calculations, we establish two 256-atom models. The topology of both models is analyzed in terms of radial and bond angle distributions. It is found that both the Te and the Hg atoms tend to be fourfold, but with a wrong bond rate of about 10%. The fraction of threefold and fivefold atoms also shows that there are a significant number of dangling and floating bonds in our models. The electronic properties are also obtained. It is indicated that there is a bandgap in amorphous HgTe, in contrast to the zero bandgap for crystalline HgTe. The structures of the band tail and defect states are also discussed. (paper)

  16. Amorphization of complex ceramics by heavy-particle irradiations

    International Nuclear Information System (INIS)

    Complex ceramics, for the purpose of this paper, include materials that are generally strongly bonded (mixed ionic and covalent), refractory and frequently good insulators. They are distinguished from simple, compact ceramics (e.g., MgO and UO2) by structural features which include: (1) open network structures, best characterized by a consideration of the shape, size and connectivity of coordination polyhedra; (2) complex compositions which characteristically lead to multiple cation sites and lower symmetry; (3) directional bonding; (4) bond-type variations within the structure. The heavy particle irradiations include ion-beam irradiations and recoil-nucleus damage resulting from a-decay events from constituent actinides. The latter effects are responsible for the radiation-induced transformation to the metamict state in minerals. The responses of these materials to irradiation are complex, as energy may be dissipated ballistically by transfer of kinetic energy from an incident projectile or radiolytically by conversion of radiation-induced electronic excitations into atomic motion. This results in isolated Frenkel defect pairs, defect aggregates, isolated collision cascades or bulk amorphization. Thus, the amorphization process is heterogeneous. Only recently have there been systematic studies of heavy particle irradiations of complex ceramics on a wide variety of structure-types and compositions as a function of dose and temperature. In this paper, we review the conditions for amorphization for the tetragonal orthosilicate, zircon [ZrSiO4]; the hexagonal orthosilicate/phosphate apatite structure-type [X10(ZO4)6(F,Cl,O)2]; the isometric pyrochlores [A1-2B2O6(O,OH,F)0-1pH2O] and its monoclinic derivative zirconotite [CaZrTi2O7]; the olivine (derivative - hcp) structure types, α-VIA2IVBO4, and spinel (ccp), γ-VIA2IVBO4

  17. 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 that in...... 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...

  18. The beneficial effect of nanocrystalline and amorphous nature on the anode performance of manganese oxide for lithium ion batteries

    International Nuclear Information System (INIS)

    Highlights: • A soft-chemical redox reaction yields efficient anode material of amorphous MnO2 nanocrystal. • Amorphous MnO2 nanocrystal shows better anode performance than well-crystalline homologue. • This result highlights the merit of nanocrystalline nature for the electrode performance of MnO2. • The present redox reaction provides a scalable and economic route to efficient anode material. - Abstract: The effect of the amorphous structure and nanocrystalline nature of metal oxide on its anode performance in lithium ion batteries is investigated with two nanocrystalline and one well-crystallized layered manganese oxides. X-ray amorphous manganese oxide nanocrystals are synthesized by soft-chemical redox reactions using reducing agents of KBH4 and LiI at room temperature, whereas well-crystallized layered manganese oxide is obtained by solid state reaction at elevated temperature. Although both of the amorphous manganese oxides lack a long-range structural order, they are crystallized with a layered MnO2-type local structure, which is nearly identical to the crystal structure of the well-crystallized K0.45MnO2. In comparison with the well-crystallized K0.45MnO2, both the amorphous manganese oxides commonly possess smaller particle sizes with larger surface areas and better homogeneity of composite structure. The amorphous manganese oxide nanocrystals show better anode performance with greater discharge capacity for lithium ion batteries than does the well-crystallized K0.45MnO2, which is attributable to the greater surface area, higher structural and electrochemical stability, more homogeneous composite structure, and better charge-transfer characteristics of the amorphous materials. This result highlights the merit of the nanocrystalline and amorphous nature for optimizing the electrode performance of manganese oxide. The present solution-based redox reaction can provide a facile, economic, and scalable route for synthesizing efficient manganese

  19. AMORPHOUS COATING FORMING IN THE CONDITIONS OF GAS THERMAL SPRAYING

    Directory of Open Access Journals (Sweden)

    V. V. Artemchuk

    2010-06-01

    Full Text Available In the article the issues of forming amorphous coatings in the conditions of gas thermal spraying of coating are considered. On the basis of theoretical analysis the technological factors, determining possibility of obtaining the amorphous coatings at detonation spraying, are formulated. Two groups of factors, influencing on formation of amorphous structure in detonation sprayed coatings from metallic alloys, are marked.

  20. Polymer Encapsulation of an Amorphous Pharmaceutical by initiated Chemical Vapor Deposition for Enhanced Stability

    Science.gov (United States)

    2016-01-01

    The usage of amorphous solids in practical applications, such as in medication, is commonly limited by the poor long-term stability of this state, because unwanted crystalline transitions occur. In this study, three different polymeric coatings are investigated for their ability to stabilize amorphous films of the model drug clotrimazole and to protect against thermally induced transitions. For this, drop cast films of clotrimazole are encapsulated by initiated chemical vapor deposition (iCVD), using perfluorodecyl acrylate (PFDA), hydroxyethyl methacrylate (HEMA), and methacrylic acid (MAA). The iCVD technique operates under solvent-free conditions at low temperatures, thus leaving the solid state of the encapsulated layer unaffected. Optical microscopy and X-ray diffraction data reveal that at ambient conditions of about 22 °C, any of these iCVD layers extends the lifetime of the amorphous state significantly. At higher temperatures (50 or 70 °C), the p-PFDA coating is unable to provide protection, while the p-HEMA and p-MAA strongly reduce the crystallization rate. Furthermore, p-HEMA and p-MAA selectively facilitate a preferential alignment of clotrimazole and, interestingly, even suppress crystallization upon a temporary, rapid temperature increase (3 °C/min, up to 150 °C). The results of this study demonstrate how a polymeric coating, synthesized directly on top of an amorphous phase, can act as a stabilizing agent against crystalline transitions, which makes this approach interesting for a variety of applications. PMID:27467099

  1. Impact of water on molecular dynamics of amorphous α-, β-, and γ-cyclodextrins studied by dielectric spectroscopy

    Science.gov (United States)

    Kaminski, K.; Adrjanowicz, K.; Kaminska, E.; Grzybowska, K.; Hawelek, L.; Paluch, M.; Tarnacka, M.; Gruszka, I.; Kasprzycka, A.

    2012-09-01

    Dielectric, calorimetric, and x-ray diffraction measurements were carried out on α-, β-, and γ-cyclodextrins, which are cyclic saccharides built by, respectively, six, seven, and eight glucose units connected via glycosidic linkage. Differential scanning calorimetry measurements indicated that each carbohydrate has a melting temperature located much above the temperature at which thermal decomposition begins. Moreover, calorimetric data revealed that it is possible to completely dehydrate each cyclodextrin by annealing them above 413 K. Unfortunately, it is impossible to obtain amorphous forms of cyclodextrin by simple cooling of the melt. Thus, a solid state amorphization method has been applied. X-ray diffraction studies demonstrated that by ball milling at room temperature we are able to obtain completely amorphous cyclodextrins. Finally, dielectric measurements were carried out to probe molecular dynamics in the amorphous state of cyclodextrins. It was found that there is only one relaxation process in amorphous hydrated cyclodextrins, while in dried samples two secondary relaxations are present. Moreover, we have shown that water has an enormous effect on the dynamics of both relaxation modes, i.e., with increasing content of water, the activation energy of the slow mode decreases, while that evaluated for the fast mode increases. We were not able to follow the dynamics of the structural relaxation process, because glass transition temperatures of amorphous cyclodextrins were found to lie above thermal degradation points.

  2. AMORPHOUS MATTER IN KAOLINS AND ITS GEOLOGICAL IMPLICATIONS

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Selective dissolution with ammonium oxalate was carried out toextract amorphous matter in some kaolins from China.Ammonium oxalate extraction is an effective method to extract amorphous constituents without destroying the kaolinite crystalline structure.The study showed that,absolute amounts of amorphous constituents in kaolins are in the order Al>Si>Fe,but that relative amounts are in the order Fe>Al>Si.The amorphous phases are probably mainly in the form of separate particles,or colloidal particles absorbed on the surface of kaolinite particles.Compared to older kaolins,younger kaolins contain much more amorphous iron content.

  3. The Infrared Spectra and Absorption Intensities of Amorphous Ices

    Science.gov (United States)

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

    2016-06-01

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

  4. Magnetic Sensors Based on Amorphous Ferromagnetic Materials: A Review.

    Science.gov (United States)

    Morón, Carlos; Cabrera, Carolina; Morón, Alberto; García, Alfonso; González, Mercedes

    2015-11-11

    Currently there are many types of sensors that are used in lots of applications. Among these, magnetic sensors are a good alternative for the detection and measurement of different phenomena because they are a "simple" and readily available technology. For the construction of such devices there are many magnetic materials available, although amorphous ferromagnetic materials are the most suitable. The existence in the market of these materials allows the production of different kinds of sensors, without requiring expensive manufacture investments for the magnetic cores. Furthermore, these are not fragile materials that require special care, favouring the construction of solid and reliable devices. Another important feature is that these sensors can be developed without electric contact between the measuring device and the sensor, making them especially fit for use in harsh environments. In this review we will look at the main types of developed magnetic sensors. This work presents the state of the art of magnetic sensors based on amorphous ferromagnetic materials used in modern technology: security devices, weapon detection, magnetic maps, car industry, credit cards, etc.

  5. Two-level tunneling systems in amorphous alumina

    Science.gov (United States)

    Lebedeva, Irina V.; Paz, Alejandro P.; Tokatly, Ilya V.; Rubio, Angel

    2014-03-01

    The decades of research on thermal properties of amorphous solids at temperatures below 1 K suggest that their anomalous behaviour can be related to quantum mechanical tunneling of atoms between two nearly equivalent states that can be described as a two-level system (TLS). This theory is also supported by recent studies on microwave spectroscopy of superconducting qubits. However, the microscopic nature of the TLS remains unknown. To identify structural motifs for TLSs in amorphous alumina we have performed extensive classical molecular dynamics simulations. Several bistable motifs with only one or two atoms jumping by considerable distance ~ 0.5 Å were found at T=25 K. Accounting for the surrounding environment relaxation was shown to be important up to distances ~ 7 Å. The energy asymmetry and barrier for the detected motifs lied in the ranges 0.5 - 2 meV and 4 - 15 meV, respectively, while their density was about 1 motif per 10 000 atoms. Tuning of motif asymmetry by strain was demonstrated with the coupling coefficient below 1 eV. The tunnel splitting for the symmetrized motifs was estimated on the order of 0.1 meV. The discovered motifs are in good agreement with the available experimental data. The financial support from the Marie Curie Fellowship PIIF-GA-2012-326435 (RespSpatDisp) is gratefully acknowledged.

  6. The Infrared Spectra and Absorption Intensities of Amorphous Ices

    Science.gov (United States)

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

    2016-06-01

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

  7. Magnetic Sensors Based on Amorphous Ferromagnetic Materials: A Review

    Directory of Open Access Journals (Sweden)

    Carlos Morón

    2015-11-01

    Full Text Available Currently there are many types of sensors that are used in lots of applications. Among these, magnetic sensors are a good alternative for the detection and measurement of different phenomena because they are a “simple” and readily available technology. For the construction of such devices there are many magnetic materials available, although amorphous ferromagnetic materials are the most suitable. The existence in the market of these materials allows the production of different kinds of sensors, without requiring expensive manufacture investments for the magnetic cores. Furthermore, these are not fragile materials that require special care, favouring the construction of solid and reliable devices. Another important feature is that these sensors can be developed without electric contact between the measuring device and the sensor, making them especially fit for use in harsh environments. In this review we will look at the main types of developed magnetic sensors. This work presents the state of the art of magnetic sensors based on amorphous ferromagnetic materials used in modern technology: security devices, weapon detection, magnetic maps, car industry, credit cards, etc.

  8. 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.

  9. 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.

  10. Chemical and Phase Evolution of Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production.

    Science.gov (United States)

    Lee, Sang Chul; Benck, Jesse D; Tsai, Charlie; Park, Joonsuk; Koh, Ai Leen; Abild-Pedersen, Frank; Jaramillo, Thomas F; Sinclair, Robert

    2016-01-26

    Amorphous MoSx is a highly active, earth-abundant catalyst for the electrochemical hydrogen evolution reaction. Previous studies have revealed that this material initially has a composition of MoS3, but after electrochemical activation, the surface is reduced to form an active phase resembling MoS2 in composition and chemical state. However, structural changes in the MoSx catalyst and the mechanism of the activation process remain poorly understood. In this study, we employ transmission electron microscopy (TEM) to image amorphous MoSx catalysts activated under two hydrogen-rich conditions: ex situ in an electrochemical cell and in situ in an environmental TEM. For the first time, we directly observe the formation of crystalline domains in the MoSx catalyst after both activation procedures as well as spatially localized changes in the chemical state detected via electron energy loss spectroscopy. Using density functional theory calculations, we investigate the mechanisms for this phase transformation and find that the presence of hydrogen is critical for enabling the restructuring process. Our results suggest that the surface of the amorphous MoSx catalyst is dynamic: while the initial catalyst activation forms the primary active surface of amorphous MoS2, continued transformation to the crystalline phase during electrochemical operation could contribute to catalyst deactivation. These results have important implications for the application of this highly active electrocatalyst for sustainable H2 generation. PMID:26624225

  11. Intrinsic nature of visible-light absorption in amorphous semiconducting oxides

    Directory of Open Access Journals (Sweden)

    Youngho Kang

    2014-03-01

    Full Text Available To enlighten microscopic origin of visible-light absorption in transparent amorphous semiconducting oxides, the intrinsic optical property of amorphous InGaZnO4 is investigated by considering dipole transitions within the quasiparticle band structure. In comparison with the crystalline InGaZnO4 with the optical gap of 3.6 eV, the amorphous InGaZnO4 has two distinct features developed in the band structure that contribute to significant visible-light absorption. First, the conduction bands are down-shifted by 0.55 eV mainly due to the undercoordinated In atoms, reducing the optical gap between extended states to 2.8 eV. Second, tail states formed by localized oxygen p orbitals are distributed over ∼0.5 eV near the valence edge, which give rise to substantial subgap absorption. The fundamental understanding on the optical property of amorphous semiconducting oxides based on underlying electronic structure will pave the way for resolving instability issues in recent display devices incorporating the semiconducting oxides.

  12. Tuning electronic properties of graphene heterostructures by amorphous-to-crystalline phase transitions

    Science.gov (United States)

    Kulju, S.; Akola, J.; Prendergast, D.; Jones, R. O.

    2016-05-01

    The remarkable ability of phase change materials (PCM) to switch between amorphous and crystalline states on a nanosecond time scale could provide new opportunities for graphene engineering. We have used density functional calculations to investigate the structures and electronic properties of heterostructures of thin amorphous and crystalline films of the PCM GeTe (16 Å thick) and Ge2Sb2Te5 (20 Å) between graphene layers. The interaction between graphene and PCM is very weak, charge transfer is negligible, and the structures of the chalcogenide films differ little from those of bulk phases. A crystalline GeTe (111) layer induces a band gap opening of 80 meV at the Dirac point. This effect is absent for the amorphous film, but the Fermi energy shifts down along the Dirac cone by -60 meV. Ge2Sb2Te5 shows similar features, although inherent disorder in the crystalline rocksalt structure reduces the contrast in band structure from that in the amorphous structure. These features originate in charge polarization within the crystalline films, which show electromechanical response (piezoelectricity) upon compression, and show that the electronic properties of graphene structures can be tuned by inducing ultrafast structural transitions within the chalcogenide layers. Graphene can also be used to manipulate the structural state of the PCM layer and its electronic and optical properties.

  13. FY06 Annual Report: Amorphous Semiconductors for Gamma Radiation Detection (ASGRAD)

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Bradley R.; Riley, Brian J.; Crum, Jarrod V.; Sundaram, S. K.; Henager, Charles H.; Zhang, Yanwen; Shutthanandan, V.

    2007-01-01

    We describe progress in the development of new materials for portable, room-temperature, gamma-radiation detection at Pacific Northwest National Laboratory at the Hanford Site in Washington State. High Z, high resistivity, amorphous semiconductors are being designed for use as solid-state detectors at near ambient temperatures; principles of operation are analogous to single-crystal semiconducting detectors. Amorphous semiconductors have both advantages and disadvantages compared to single crystals, and this project is developing methods to mitigate technical problems and design optimized material for gamma detection. Several issues involved in the fabrication of amorphous semiconductors are described, including reaction thermodynamics and kinetics, the development of pyrolytic coating, and the synthesis of ingots. The characterization of amorphous semiconductors is described, including sectioning and polishing protocols, optical microscopy, X-ray diffraction, scanning electron microscopy, optical spectroscopy, particle-induced X-ram emission, Rutherford backscattering, and electrical testing. Then collaboration with the University of Illinois at Urbana-Champaign is discussed in the areas of Hall-effect measurements and current voltage data. Finally, we discuss the strategy for continuing the program.

  14. Room temperature photoluminescence from nanostructured amorphous carbon

    OpenAIRE

    Henley, SJ; Carey, JD; Silva, SRP

    2004-01-01

    Visible room-temperature photoluminescence (PL) was observed from hydrogen-free nanostructured amorphous carbon films deposited by pulsed laser ablation in different background pressures of argon (PAr). By varying PAr from 5 to 340 mTorr, the film morphology changed from smooth to rough and at the highest pressures, low-density filamentary growth was observed. Over the same pressure regime an increase in the ordering of sp2 bonded C content was observed using visible Raman spectroscopy. Th...

  15. NMR INVESTIGATIONS OF HYDROGENATED AMORPHOUS SILICON

    OpenAIRE

    J. Reimer

    1981-01-01

    A review is presented of the N.M.R. (Nuclear Magnetic Resonance) studies to date of hydrogenated amorphous silicon-hydrogen films. Structural features of proton N.M.R. lineshapes, dynamics of hydrogen containing defect sites, and the promise of quantitative determinations of local silicon-hydrogen bonding environments are discussed in detail. Finally, some comments are given on future directions for N.M.R. studies of hydrogenated thin films.

  16. Amorphous silicon for thin-film transistors

    OpenAIRE

    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 addressable image sensor arrays, due to a new technology of low-cost, Iow-temperature processing overlarge areas. ... Zie: Abstract

  17. Transverse and longitudinal vibrations in amorphous silicon

    OpenAIRE

    Beltukov, Y. M.; De Fusco, C; Tanguy, A.; Parshin, D. A.

    2015-01-01

    We show that harmonic vibrations in amorphous silicon can be decomposed to transverse and longitudinal components in all frequency range even in the absence of the well defined wave vector ${\\bf q}$. For this purpose we define the transverse component of the eigenvector with given $\\omega$ as a component, which does not change the volumes of Voronoi cells around atoms. The longitudinal component is the remaining orthogonal component. We have found the longitudinal and transverse components of...

  18. Amorphous computing: examples, mathematics and theory

    OpenAIRE

    Stark, W. Richard

    2013-01-01

    The cellular automata model was described by John von Neumann and his friends in the 1950s as a representation of information processing in multicellular tissue. With crystalline arrays of cells and synchronous activity, it missed the mark (Stark and Hughes, BioSystems 55:107–117, 2000). Recently, amorphous computing, a valid model for morphogenesis in multicellular information processing, has begun to fill the void. Through simple examples and elementary mathematics, this paper begins a comp...

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

    NARCIS (Netherlands)

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

    2006-01-01

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

  20. 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).

  1. Electronic transport in amorphous phase-change materials

    Energy Technology Data Exchange (ETDEWEB)

    Luckas, Jennifer Maria

    2012-09-14

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

  2. Influence of excipients in comilling on mitigating milling-induced amorphization or structural disorder of crystalline pharmaceutical actives.

    Science.gov (United States)

    Balani, Prashant N; Ng, Wai Kiong; Tan, Reginald B H; Chan, Sui Yung

    2010-05-01

    The feasibility of using excipients to suppress the amorphization or structural disorder of crystalline salbutamol sulphate (SS) during milling was investigated. SS was subjected to ball-milling in the presence of alpha-lactose monohydrate (LAC), adipic acid (AA), magnesium stearate (MgSt), or polyvinyl pyrrolidone (PVP). X-ray powder diffraction, dynamic vapor sorption (DVS), high sensitivity differential scanning calorimetry (HSDSC) were used to analyze the crystallinity of the milled mixtures. Comilling with crystalline excipients, LAC, AA, and MgSt proved effective in reducing the amorphization of SS. LAC, AA, or MgSt acting as seed crystals to induce recrystallization of amorphous SS formed by milling. During comilling, both SS and LAC turned predominantly amorphous after 45 min but transformed back to a highly crystalline state after 60 min. Amorphous content was below the detection limits of DVS (0.5%) and HSDSC (5%). Comilled and physical mixtures of SS and ALM were stored under normal and elevated humidity conditions. This was found to prevent subsequent changes in crystallinity and morphology of comilled SS:LAC as compared to significant changes in milled SS and physical mixture. These results demonstrate a promising application of comilling with crystalline excipients in mitigating milling induced amorphization of pharmaceutical actives. PMID:19902526

  3. Impact of amorphization on the electronic properties of Zn-Ir-O systems.

    Science.gov (United States)

    Muñoz Ramo, David; Bristowe, Paul D

    2016-09-01

    We analyze the geometry and electronic structure of a series of amorphous Zn-Ir-O systems using classical molecular dynamics followed by density functional theory taking into account two different charge states of Ir (+3 and  +4). The structures obtained consist of a matrix of interconnected metal-oxygen polyhedra, with Zn adopting preferentially a coordination of 4 and Ir a mixture of coordinations between 4 and 6 that depend on the charge state of Ir and its concentration. The amorphous phases display reduced band gaps compared to crystalline ZnIr2O4 and exhibit localized states near the band edges, which harm their transparency and hole mobility. Increasing amounts of Ir in the Ir(4+) phases decrease the band gap further while not altering it significantly in the Ir(3+) phases. The results are consistent with recent transmittance and resistivity measurements. PMID:27357345

  4. Impact of amorphization on the electronic properties of Zn–Ir–O systems

    Science.gov (United States)

    Muñoz Ramo, David; Bristowe, Paul D.

    2016-09-01

    We analyze the geometry and electronic structure of a series of amorphous Zn–Ir–O systems using classical molecular dynamics followed by density functional theory taking into account two different charge states of Ir (+3 and  +4). The structures obtained consist of a matrix of interconnected metal-oxygen polyhedra, with Zn adopting preferentially a coordination of 4 and Ir a mixture of coordinations between 4 and 6 that depend on the charge state of Ir and its concentration. The amorphous phases display reduced band gaps compared to crystalline ZnIr2O4 and exhibit localized states near the band edges, which harm their transparency and hole mobility. Increasing amounts of Ir in the Ir4+ phases decrease the band gap further while not altering it significantly in the Ir3+ phases. The results are consistent with recent transmittance and resistivity measurements.

  5. Impact of amorphization on the electronic properties of Zn-Ir-O systems

    Science.gov (United States)

    Muñoz Ramo, David; Bristowe, Paul D.

    2016-09-01

    We analyze the geometry and electronic structure of a series of amorphous Zn-Ir-O systems using classical molecular dynamics followed by density functional theory taking into account two different charge states of Ir (+3 and  +4). The structures obtained consist of a matrix of interconnected metal-oxygen polyhedra, with Zn adopting preferentially a coordination of 4 and Ir a mixture of coordinations between 4 and 6 that depend on the charge state of Ir and its concentration. The amorphous phases display reduced band gaps compared to crystalline ZnIr2O4 and exhibit localized states near the band edges, which harm their transparency and hole mobility. Increasing amounts of Ir in the Ir4+ phases decrease the band gap further while not altering it significantly in the Ir3+ phases. The results are consistent with recent transmittance and resistivity measurements.

  6. 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

  7. A technique for extracting the density of states of the linear region in an amorphous InGaZnO thin film transistor%一个非晶InGaZnO薄膜晶体管线性区陷阱态的提取方法∗

    Institute of Scientific and Technical Information of China (English)

    徐飘荣; 强蕾; 姚若河

    2015-01-01

    Defects and weak bonds generated in the fabricating process of amorphous InGaZnO(a-IGZO) films distribute non-uniformly in the band gap of the a-IGZO film in the form of traps. These traps would capture the charges induced by gate voltage, and affect the linear region mobility, channel carrier density and so on, then the electrical properties in the linear region of a-IGZO thin film transistor. The model used is based on the mobility in linear region which is in direct proportion to the ratio of the free charge to the total induced charge in the channel, and then the free charge and the trapped charge are separated. From the ratio of the density of free carriers to that of the trapped, a direct relationship with the derivative of the free charge with respect to surface potential, and the derivative of the trapped charge with respect to surface potential is calculated by bringing in the gate voltage that serves as an intermediate variable between the linear region mobility and the total induced charge. In this way, the free carrier density and the trapped carrier density can be separated by using the transfer characteristic and capacitor-voltage characteristic. Poisson’s equation and Gauss theorem are applied to the interface between the channel layer and the insulating layer. In consideration of the non-uniform characteristic between the surface potential and the gate voltage, the relationship between the free carrier density and the surface potential, the trapped carrier density and the surface potential are obtained. Finally, the density of states in the linear region could be gained by differentiating the trapped carrier density with respect to surface potential.

  8. Elasticity in Amorphous Solids: Nonlinear or Piecewise Linear?

    Science.gov (United States)

    Dubey, Awadhesh K; Procaccia, Itamar; Shor, Carmel A B Z; Singh, Murari

    2016-02-26

    Quasistatic strain-controlled measurements of stress versus strain curves in macroscopic amorphous solids result in a nonlinear-looking curve that ends up either in mechanical collapse or in a steady state with fluctuations around a mean stress that remains constant with increasing strain. It is therefore very tempting to fit a nonlinear expansion of the stress in powers of the strain. We argue here that at low temperatures the meaning of such an expansion needs to be reconsidered. We point out the enormous difference between quenched and annealed averages of the stress versus strain curves and propose that a useful description of the mechanical response is given by a stress (or strain) -dependent shear modulus for which a theoretical evaluation exists. The elastic response is piecewise linear rather than nonlinear.

  9. Microstructural analysis of the radial distribution function for liquid and amorphous Al

    CERN Document Server

    Li, G X; Zhu, Z G; Liu, C S

    2003-01-01

    Constant-pressure molecular dynamics simulations and analysis of the local atomic structures have been performed to study the conventional and 'inherent' structural evolution of liquid Al during rapid solidification. The results show that the radial distribution functions g(r) exhibit a second-peak splitting feature not only for the general structures of the amorphous states but also for the inherent structure of liquid states. The second peak of g(r) decomposes into three main components, each corresponding to different pairs. The first subpeak in the inherent structure of the liquid arises from 2211 and 2331 pairs (which correspond to triangles with a common side and the tetrahedra sharing a face respectively), while the first subpeak in the amorphous state arises from 2331 pairs; in both cases the second subpeak is due to the 2101 pairs (linear trimers). The existence of a shoulder or the splitting in the second peak of g(r) in the amorphous state, and even in the undercooled liquid state, results mainly f...

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

    OpenAIRE

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

    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 sp...

  11. Development of empirical potentials for amorphous silica

    Energy Technology Data Exchange (ETDEWEB)

    Carre, A.

    2007-09-15

    Amorphous silica (SiO{sub 2}) is of great importance in geoscience and mineralogy as well as a raw material in glass industry. Its structure is characterized as a disordered continuous network of SiO{sub 4} tetrahedra. Many efforts have been undertaken to understand the microscopic properties of silica by classical molecular dynamics (MD) simulations. In this method the interatomic interactions are modeled by an effective potential that does not take explicitely into account the electronic degrees of freedom. In this work, we propose a new methodology to parameterize such a potential for silica using ab initio simulations, namely Car-Parrinello (CP) method [Phys. Rev. Lett. 55, 2471 (1985)]. The new potential proposed is compared to the BKS potential [Phys. Rev. Lett. 64, 1955 (1990)] that is considered as the benchmark potential for silica. First, CP simulations have been performed on a liquid silica sample at 3600 K. The structural features so obtained have been compared to the ones predicted by the classical BKS potential. Regarding the bond lengths the BKS tends to underestimate the Si-O bond whereas the Si-Si bond is overestimated. The inter-tetrahedral angular distribution functions are also not well described by the BKS potential. The corresponding mean value of the SiOSi angle is found to be {approx_equal} 147 , while the CP yields to a SiOSi angle centered around 135 . Our aim is to fit a classical Born-Mayer/Coulomb pair potential using ab initio calculations. To this end, we use the force-matching method proposed by Ercolessi and Adams [Europhys. Lett. 26, 583 (1994)]. The CP configurations and their corresponding interatomic forces have been considered for a least square fitting procedure. The classical MD simulations with the resulting potential have lead to a structure that is very different from the CP one. Therefore, a different fitting criterion based on the CP partial pair correlation functions was applied. Using this approach the resulting

  12. 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...... 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...... microcontainers (p-value of 0.0061).Surprisingly, for microcontainers with an inner diameter of 73μm, no stability improvement was found when compared to amorphous bulk indomethacin. It was observed that the amorphous indomethacin within these containers converted to the α-form of indomethacin (a metastable...

  13. Amorphous-silicon module hot-spot testing

    Science.gov (United States)

    Gonzalez, C. C.

    1985-01-01

    Hot spot heating occurs when cell short-circuit current is lower than string operating current. Amorphous cell hot spot are tested to develop the techniques required for performing reverse bias testing of amorphous cells. Also, to quantify the response of amorphous cells to reverse biasing. Guidelines are developed from testing for reducing hot spot susceptibility of amorphous modules and to develop a qualification test for hot spot testing of amorphous modules. It is concluded that amorphous cells undergo hot spot heating similarly to crystalline cells. Comparison of results obtained with submodules versus actual modules indicate heating levels lower in actual modules. Module design must address hot spot testing and hot spot qualification test conducted on modules showed no instabilities and minor cell erosion.

  14. Formation of amorphous silicon by light ion damage

    International Nuclear Information System (INIS)

    Amorphization by implantation of boron ions (which is the lightest element generally used in I.C. fabrication processes) has been systematically studied for various temperatures, various voltages and various dose rates. Based on theoretical considerations and experimental results, a new amorphization model for light and intermediate mass ion damage is proposed consisting of two stages. The role of interstitial type point defects or clusters in amorphization is emphasized. Due to the higher mobility of interstitials out-diffusion to the surface particularly during amorphization with low energy can be significant. From a review of the idealized amorphous structure, diinterstitial-divacancy pairs are suggested to be the embryos of amorphous zones formed during room temperature implantation. The stacking fault loops found in specimens implanted with boron at room temperature are considered to be the origin of secondary defects formed during annealing

  15. Amorphous Dielectric Thin Films with Extremely Low Mechanical Loss

    OpenAIRE

    Liu X; Queen D.R.; Metcalf T.H.; Karel J.E.; Hellman F.

    2015-01-01

    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 structur...

  16. First Principles Prediction of Amorphous Phases Using Evolutionary Algorithms

    OpenAIRE

    Nahas, Suhas; Gaur, Anshu; Bhowmick, Somnath

    2016-01-01

    We discuss the efficacy of evolutionary method for the purpose of structural analysis of amorphous solids. At present ab initio molecular dynamics (MD) based melt-quench technique is used and this deterministic approach has proven to be successful to study amorphous materials. We show that a stochastic approach motivated by Darwinian evolution can also be used to simulate amorphous structures. Applying this method, in conjunction with density functional theory (DFT) based electronic, ionic an...

  17. Memory effect under pressure in low density amorphous silicon

    OpenAIRE

    Garg, Nandini; Pandey, K. K.; K. V. Shanavas; Betty, C. A.; Sharma, Surinder M

    2010-01-01

    Our investigations on porous Si show that on increase of pressure it undergoes crystalline phase transitions instead of pressure induced amorphization - claimed earlier, and the amorphous phase appears only on release of pressure. This amorphous phase, when subjected to higher pressures, transforms reversibly to a higher coordinated primitive hexagonal phase showing a kind of memory effect which may be the only example of its kind in the elemental solids. First principles calculations and the...

  18. Competition between polaron pair formation and singlet fission observed in amorphous rubrene films

    Science.gov (United States)

    Jankus, Vygintas; Snedden, Edward W.; Bright, Daniel W.; Arac, Erhan; Dai, DeChang; Monkman, Andrew P.

    2013-06-01

    In this paper, we investigate excited state dynamics in amorphous rubrene vacuum sublimed films. We report the direct observation of singlet fission in amorphous rubrene films. We have determined the fission rate to be >2.5×1012 s-1. Simultaneously, we observe strong polaron pair absorption and propose that polaron pair formation could be competing with singlet fission. Another possible conclusion from our experiments could be that two triplets from singlet fission might arise via polaron pairs. In either case, polaron pairs play an important role in singlet fission in an amorphous rubrene film. We also observe that triplets created by singlet fission fuse to regenerate a singlet, giving delayed fluorescence (DF) scaling linearly with initial laser energy (i.e., one singlet gives two triplets and two triplets give back one singlet). This is a strong evidence of S1n→2T1. We did not observe substantial temperature dependence of DF decay curve shape, indicating that triplet migration in amorphous rubrene films is not hopping limited and that triplets undergo fusion before their migration.

  19. Low temperature amorphization and superconductivity in FeSe single crystals at high pressures

    Energy Technology Data Exchange (ETDEWEB)

    Stemshorn, Andrew K.; Tsoi, Georgiy; Vohra, Yogesh K.; Sinogeiken, Stanislav; Wu, Phillip M.; Huang, Yilin; Rao, Sistla M.; Wu, Maw-Kuen; Yeh, Kuo W.; Weir, Samuel T. (IP-Taiwan); (UAB); (Duke); (LLNL)

    2010-08-04

    In this study, we report low temperature x-ray diffraction studies combined with electrical resistance measurements on single crystals of iron-based layered superconductor FeSe to a temperature of 10 K and a pressure of 44 GPa. The low temperature high pressure x-ray diffraction studies were performed using a synchrotron source and superconductivity at high pressure was studied using designer diamond anvils. At ambient temperature, the FeSe sample shows a phase transformation from a PbO-type tetragonal phase to a NiAs-type hexagonal phase at 10 {+-} 2 GPa. On cooling, a structural distortion from a PbO-type tetragonal phase to an orthorhombic Cmma phase is observed below 100 K. At a low temperature of 10 K, compression of the orthorhombic Cmma phase results in a gradual transformation to an amorphous phase above 15 GPa. The transformation to the amorphous phase is completed by 40 GPa at 10 K. A loss of superconductivity is observed in the amorphous phase and a dramatic change in the temperature behavior of electrical resistance indicates formation of a semiconducting state at high pressures and low temperatures. The formation of the amorphous phase is attributed to a kinetic hindrance to the growth of a hexagonal NiAs phase under high pressures and low temperatures.

  20. Soft magnetic and microstructural investigation in Fe-based amorphous alloy

    International Nuclear Information System (INIS)

    Highlights: • Samples were obtained using the injection-casting method. • The samples were manufactured in the shape of plates of the thickness 0.5 mm. • The amorphous and nanocrystalline structure was confirmed using XRD, SEM, TEM, CT. • Magnetic properties were analysed in terms of contents of the spin waves stiffness parameter b. - Abstract: In this paper, the results of investigations concerning Fe61Co10Y8W1B20 alloy are presented. The alloy samples were produced, using an injection-casting method, in the form of plates of approximate thickness 0.5 mm. Analysis of the results facilitates the description of structural transformations which occurred within the amorphous material as a result of isothermal annealing, the latter having been carried out under specified conditions. This thermal treatment led to the creation within the amorphous matrix of evenly distributed nanometric sized crystalline grains. The structure and microstructure of the samples in the as-quenched and nanocrystalline states were analysed by means of: X-ray diffractometry (XRD), scanning and transmission electron microscopy (SEM and TEM) and computer tomography (CT). The influence of the structural changes on the magnetic properties was studied using a vibrating sample magnetometer (VSM). Detailed analysis of the microstructure was performed on the ferromagnetic alloy samples with amorphous and nanocrystalline structure; this, in connection with the magnetic studies, facilitated full description of the influence of changes in the microstructure, and imperfections created during the production process, on the magnetic properties

  1. Transition metal oxide window layer in thin film amorphous silicon solar cells

    International Nuclear Information System (INIS)

    Pin-type hydrogenated amorphous silicon solar cells have been fabricated by replacing state of the art silicon based window layer with more transparent transition metal oxide (TMO) materials. Three kinds of TMOs: vanadium oxide, tungsten oxide, and molybdenum oxide (MoOx) were comparatively investigated to reveal the design principles of metal oxide window layers. It was found that MoOx exhibited the best performance due to its higher work function property compared to other materials. In addition, the band alignment between MoOx and amorphous Si controls the series resistance, which was verified through compositional variation of MoOx thin films. The design principles of TMO window layer in amorphous Si solar cells are summarized as follows: A wide optical bandgap larger than 3.0 eV, a high work function larger than 5.2 eV, and a band alignment condition rendering efficient hole collection from amorphous Si absorber layer. - Highlights: • High work function metal oxides can potentially replace the conventional p-a-SiC. • V2Ox, WOx, and MoOx are comparatively investigated in this study. • MoOx is the most relevant material due to its highest work function. • Slightly oxygen deficient MoOx exhibited performance enhancement at x = 2.9

  2. Preparation and Cycling Performance of Iron or Iron Oxide Containing Amorphous Al-Li Alloys as Electrodes

    Directory of Open Access Journals (Sweden)

    Franziska Thoss

    2014-12-01

    Full Text Available Crystalline phase transitions cause volume changes, which entails a fast destroying of the electrode. Non-crystalline states may avoid this circumstance. Herein we present structural and electrochemical investigations of pre-lithiated, amorphous Al39Li43Fe13Si5-powders, to be used as electrode material for Li-ion batteries. Powders of master alloys with the compositions Al39Li43Fe13Si5 and Al39Li43Fe13Si5 + 5 mass-% FeO were prepared via ball milling and achieved amorphous/nanocrystalline states after 56 and 21.6 h, respectively. In contrast to their Li-free amorphous pendant Al78Fe13Si9, both powders showed specific capacities of about 400 and 700 Ah/kgAl, respectively, after the third cycle.

  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. 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...

  5. Self-Diffusion in Amorphous Silicon.

    Science.gov (United States)

    Strauß, Florian; Dörrer, Lars; Geue, Thomas; Stahn, Jochen; Koutsioubas, Alexandros; Mattauch, Stefan; Schmidt, Harald

    2016-01-15

    The present Letter reports on self-diffusion in amorphous silicon. Experiments were done on ^{29}Si/^{nat}Si heterostructures using neutron reflectometry and secondary ion mass spectrometry. The diffusivities follow the Arrhenius law in the temperature range between 550 and 700 °C with an activation energy of (4.4±0.3)  eV. In comparison with single crystalline silicon the diffusivities are tremendously higher by 5 orders of magnitude at about 700 °C, which can be interpreted as the consequence of a high diffusion entropy. PMID:26824552

  6. Rapid Annealing Of Amorphous Hydrogenated Carbon

    Science.gov (United States)

    Alterovitz, Samuel A.; Pouch, John J.; Warner, Joseph D.

    1989-01-01

    Report describes experiments to determine effects of rapid annealing on films of amorphous hydrogenated carbon. Study represents first efforts to provide information for applications of a-C:H films where rapid thermal processing required. Major finding, annealing causes abrupt increase in absorption and concomitant decrease in optical band gap. Most of change occurs during first 20 s, continues during longer annealing times. Extend of change increases with annealing temperature. Researchers hypothesize abrupt initial change caused by loss of hydrogen, while gradual subsequent change due to polymerization of remaining carbon into crystallites or sheets of graphite. Optical band gaps of unannealed specimens on silicon substrates lower than those of specimens on quartz substrates.

  7. 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.

  8. Amorphous computing: examples, mathematics and theory.

    Science.gov (United States)

    Stark, W Richard

    2013-01-01

    The cellular automata model was described by John von Neumann and his friends in the 1950s as a representation of information processing in multicellular tissue. With crystalline arrays of cells and synchronous activity, it missed the mark (Stark and Hughes, BioSystems 55:107-117, 2000). Recently, amorphous computing, a valid model for morphogenesis in multicellular information processing, has begun to fill the void. Through simple examples and elementary mathematics, this paper begins a computation theory for this important new direction. PMID:23946719

  9. Electrochromism of amorphous ruthenium oxide thin films

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Se-Hee; Liu, Ping; Tracy, C. Edwin; Deb, Satyen K. [National Renewable Energy Laboratory, Center for Basic Sciences, 1617 Cole Boulevard, Golden, CO 80401 (United States); Cheong, Hyeonsik M. [Sogang University, Shinsoo-Dong, Seoul 121-742 (Korea, Republic of)

    2003-12-01

    We report on the electrochromic behavior of amorphous ruthenium oxide thin films and their electrochemical characteristics for use as counterelectrodes for electrochromic devices. Hydrous ruthenium oxide thin films were prepared by cyclic voltammetry on ITO coated glass substrates from an aqueous ruthenium chloride solution. The cyclic voltammograms of this material show the capacitive behavior including two redox reaction peaks in each cathodic and anodic scan. The ruthenium oxide thin film electrode exhibits a 50% modulation of optical transmittance at 670 nm wavelength with capacitor charge/discharge.

  10. Structure and magnetic properties of Fe-based amorphous alloys

    Directory of Open Access Journals (Sweden)

    K. Błoch

    2013-12-01

    Full Text Available Purpose: This paper presents studies relating to the structure, magnetic properties and thermal stability of the following bulk amorphous alloys: Fe61Co10Ti3-xY6+xB20 (where x = 0 or 1 Design/methodology/approach: The investigated samples were prepared in the form of rods by using the suction-casting method. The material structures were investigated using X-ray diffractometry and Mössbauer spectroscopy. The thermal stability was determined on the basis of Differential Scanning Calorimetry (DSC plots The magnetic properties were studied using a completely automated set up for measuring susceptibility and its disaccommodation. Findings: It was found that both alloys were amorphous in the as-cast state. The DSC curve obtained for Fe61Co10Ti2Y7B20 alloy exhibited one exothermic peak, while for the Fe61Co10Ti3Y6B20 sample, two peaks were distinguishable, corresponding to the crystallization of the sample. The bifurcation of the maximum on the DSC curve for the Fe61Co10Ti3Y6B20 sample may also testify to the presence of the primary crystallizing phase (FeCo23B6 [1,2]. Data obtained from the analysis of the magnetic susceptibility disaccommodation curves clearly show that in the Fe61Co10Ti3Y6B20 alloy there is less free volumes than in the second of the investigated alloys, this results in a lesser range of relaxation time. Moreover, Fe61Co10Ti3Y6B20 alloy exhibits the better time and thermal stability of magnetic properties In both of the studied alloys, at low frequencies, the total losses were comparable with those observed in classical silicon-iron alloys. Practical implications: A Ferrometer was used for the determination of core losses. Originality/value: The paper presents some researches of the Fe-based bulk amorphous alloys obtained by the suction-casting method.

  11. Electronic structure and optical properties of B/P-doped amorphous Si calculated by first-principles

    International Nuclear Information System (INIS)

    Highlights: • Short-range order in a-Si lead to the similar electronic structure and optical properties with c-Si. • Long-range disorder of a-Si lead to the different electronic structure and optical properties. • Localized states predominately determine the optical properties in visible-light region of a-Si. • B/P-doping have no obvious effects for the electronic structure and optical properties of a-Si. - Abstract: In order to understand the electronic structures, optical properties, and explain the experimental observations of B/P-doped amorphous Si, the relevant micro-structure and properties have been calculated by simulated annealing and DFT+U methods. Based on the calculated results, the short-range order features of micro-structure in amorphous Si lead to the similar electronic structure and optical properties with crystalline Si, owing to the short-range order reflects the nature of atomic chemical bonding and plays a major role in the decision of fundamental characteristics of amorphous Si. What is important, the long-range disorder features of micro-structure lead to the different electronic structure and optical properties of amorphous Si, in compared with crystalline Si. Especially, the localized states caused by structural defects predominately determined the optical properties in visible-light region. The findings in the present work could well explain the experimental observations in literatures, and are helpful for the development of amorphous Si based functional materials

  12. Thermodynamical modeling of nuclear glasses: coexistence of amorphous phases; Modelisation thermodynamique des verres nucleaires: coexistence entre phases amorphes

    Energy Technology Data Exchange (ETDEWEB)

    Adjanor, G

    2007-11-15

    Investigating the stability of borosilicate glasses used in the nuclear industry with respect to phase separation requires to estimate the Gibbs free energies of the various phases appearing in the material. In simulation, using current computational resources, a direct state-sampling of a glassy system with respect to its ensemble statistics is not ergodic and the estimated ensemble averages are not reliable. Our approach consists in generating, at a given cooling rate, a series of quenches, or paths connecting states of the liquid to states of the glass, and then in taking into account the probability to generate the paths leading to the different glassy states in ensembles averages. In this way, we introduce a path ensemble formalism and calculate a Landau free energy associated to a glassy meta-basin. This method was validated by accurately mapping the free energy landscape of a 38-atom glassy cluster. We then applied this approach to the calculation of the Gibbs free energies of binary amorphous Lennard-Jones alloys, and checked the correlation between the observed tendencies to order or to phase separate and the computed Gibbs free energies. We finally computed the driving force to phase separation in a simplified three-oxide nuclear glass modeled by a Born-Mayer-Huggins potential that includes a three-body term, and we compared the estimated quantities to the available experimental data. (author)

  13. Structure of amorphous Ag/Ge/S alloys: experimentally constrained density functional study

    Science.gov (United States)

    Akola, J.; Beuneu, B.; Jones, R. O.; Jóvári, P.; Kaban, I.; Kolář, J.; Voleská, I.; Wágner, T.

    2015-12-01

    Density functional/molecular dynamics simulations have been performed to determine structural and other properties of amorphous Ag/Ge/S and Ge/S alloys. In the former, the calculations have been combined with experimental data (x-ray and neutron diffraction, extended x-ray absorption fine structure). Ag/Ge/As alloys have high ionic conductivity and are among the most promising candidates for future memristor technology. We find excellent agreement between the experimental results and large-scale (500 atoms) simulations in Ag/Ge/S, and we compare and contrast the structures of Ge/S and Ag/Ge/S. The calculated electronic structures, vibrational densities of states, ionic mobilities, and cavity distributions of the amorphous materials are discussed and compared with data on crystalline phases where available. The high mobility of Ag in solid state electrolyte applications is related to the presence of cavities and can occur via jumps to a neighbouring vacant site.

  14. Thermal stability of magnetron sputtered amorphous Si{sub 2}C

    Energy Technology Data Exchange (ETDEWEB)

    Gustus, R. [Institut fuer Energieforschung und Physikalische Technologien, Technische Universitaet Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Institut fuer Metallurgie, Technische Universitaet Clausthal, Robert-Koch-Str. 42, 38678 Clausthal-Zellerfeld (Germany); Gruber, W. [Institut fuer Metallurgie, Technische Universitaet Clausthal, Robert-Koch-Str. 42, 38678 Clausthal-Zellerfeld (Germany); Wegewitz, L. [Institut fuer Energieforschung und Physikalische Technologien, Technische Universitaet Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Clausthaler Zentrum fuer Materialtechnik, Technische Universitaet Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Schmidt, H. [Institut fuer Metallurgie, Technische Universitaet Clausthal, Robert-Koch-Str. 42, 38678 Clausthal-Zellerfeld (Germany); Clausthaler Zentrum fuer Materialtechnik, Technische Universitaet Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Maus-Friedrichs, W., E-mail: w.maus-friedrichs@pe.tu-clausthal.de [Institut fuer Energieforschung und Physikalische Technologien, Technische Universitaet Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Clausthaler Zentrum fuer Materialtechnik, Technische Universitaet Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany)

    2012-05-15

    The thermal stability of amorphous Si{sub 2}C films was studied by means of X-ray Photoelectron Spectroscopy (XPS), Auger Electron Spectroscopy (AES), Grazing Incidence X-ray Diffractometry (GIXRD), Atomic Force Microscopy (AFM) and Scanning Electron Microscopy (SEM). The films were deposited by magnetron sputtering onto silicon single crystals. The as-deposited films show a homogenous amorphous structure with a variety of bonding states reaching from homonuclear silicon-like Si-Si over mixed Si-Si-C to heteronuclear Si-C bonds. Annealing at 800 Degree-Sign C for 1 h leads to a depletion of Si-Si-C bonding states and to the formation of additional Si-C bonds. AFM and SEM images showed particles with a remarkable faceting on the surface of the annealed film. In accordance with GIXRD and AES measurements, these observations confirmed the crystallization of silicon during thermal annealing. Besides, no crystallized silicon carbide could be detected.

  15. Molecular dynamics simulation of calcium fluoride——Crystalline, superionic, molten and quenched-amorphous phases

    Institute of Scientific and Technical Information of China (English)

    程兆年; 郏正明; 张静; 陈念贻

    1995-01-01

    The results from the molecular dynamics simulations on crystalline, superionic, molten and quenched-amorphous states of calcium fluoride system are reported. The Ca++ and F- sublattices are studied by using the method of bond order parameters. The result shows that both Ca++ and F- sublattices can be described with the bond-orientation normal distribution model. In the superionic phase the Ca++ cations keep their original stable fcc frame, but in the F- case random distortion generates from their original simple cubic (sc) structure. The simulation on the molten phase gives three radial distribution functions that are difficult to separate from the experimental X-ray diffraction data. The simulation of quenched-amorphous state shows that a dense random packing of equivalent spheres centered by Ca++ cations occurs in the system simulated. However, the system quenched is not stable enough because the Ca++ cation and F- anions around it do not form themselves into a certain configuration.

  16. Improved Photo-Induced Stability in Amorphous Metal-Oxide Based TFTs for Transparent Displays.

    Science.gov (United States)

    Koo, Sang-Mo; Ha, Tae-Jun

    2015-10-01

    In this paper, we investigate the origin of photo-induced instability in amorphous metal-oxide based thin-film transistors (oxide-TFTs) by exploring threshold voltage (Vth) shift in transfer characteristics. The combination of photo irradiation and prolonged gate bias stress enhanced the shift in Vth in amorphous hafnium-indium-zinc-oxide (a-HfIZO) TFTs. Such results stem from the extended trapped charges at the localized defect states related to oxygen vacancy which play a role in a screening effect on the electric field induced by gate voltage. We also demonstrate the chemically clean interface in oxide-TFTs by employing oxygen annealing which reduces the density of trap states, thereby resulting in improved photo-induced stability. We believe that this work stimulates the research society of transparent electronics by providing a promising approach to suppress photo-induced instability in metal-oxide TFTs. PMID:26726416

  17. Hydrogen diffusion in Zr35Ni55V10 amorphous alloy

    Institute of Scientific and Technical Information of China (English)

    CHENG Xiao-ying; WAHG Fang

    2007-01-01

    Hydrogen diffusion in Zr35Ni55V10 amorphous alloy was measured by chronopotentiometry. The results show that at lower molar ratio of hydrogen (x<0.06, x=n(H)/n(M)), the diffusivity of hydrogen increases rapidly with increasing the molar ratio of hydrogen. However, when x(H)>0.1, the diffusivity of hydrogen decreases slightly with increasing the molar ratio of hydrogen, which is similar to the change in crystalline alloy. It is proposed that hydrogen atoms mainly occupy the sites corresponding to tetrahedra with 4 Zr atoms at lower molar ratio of hydrogen. When the molar ratio of hydrogen is higher, the additional hydrogen atoms are in sites with higher energy and these sites in amorphous state are similar to these in crystalline states.

  18. Magneto-optical switch with amorphous silicon waveguides on magneto-optical garnet

    Science.gov (United States)

    Ishida, Eiichi; Miura, Kengo; Shoji, Yuya; Mizumoto, Tetsuya; Nishiyama, Nobuhiko; Arai, Shigehisa

    2016-08-01

    We fabricated a magneto-optical (MO) switch with a hydrogenated amorphous silicon waveguide on an MO garnet. The switch is composed of a 2 × 2 Mach-Zehnder interferometer (MZI). The switch state is controlled by an MO phase shift through a magnetic field generated by a current flowing in an electrode located on the MZI. The switching operation was successfully demonstrated with an extinction ratio of 11.7 dB at a wavelength of 1550 nm.

  19. Vibrational properties of amorphous silicon from tight-binding O(N) calculation

    OpenAIRE

    Biswas, Parthapratim

    2001-01-01

    We present an O(N) algorithm to study the vibrational properties of amorphous silicon within the framework of tight-binding approach. The dynamical matrix elements have been evaluated numerically in the harmonic approximation exploiting the short-range nature of the density matrix to calculate the vibrational density of states which is then compared with the same obtained from a standard O($N^4$) algorithm. For the purpose of illustration, an 1000-atom model is studied to calculate the locali...

  20. Decomposition of amorphous Si{sub 2}C by thermal annealing

    Energy Technology Data Exchange (ETDEWEB)

    Gustus, R. [Institut für Energieforschung und Physikalische Technologien, Technische Universität Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Institut für Metallurgie, Technische Universität Clausthal, Robert-Koch-Str. 42, 38678 Clausthal-Zellerfeld (Germany); Institut für Elektrochemie, Technische Universität Clausthal, Arnold-Sommerfeld-Straße 6, 38678 Clausthal-Zellerfeld (Germany); Gruber, W. [Institut für Metallurgie, Technische Universität Clausthal, Robert-Koch-Str. 42, 38678 Clausthal-Zellerfeld (Germany); Wegewitz, L. [Institut für Energieforschung und Physikalische Technologien, Technische Universität Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Clausthaler Zentrum für Materialtechnik, Technische Universität Clausthal, Leibnizstrasse 4, 38678 Clausthal-Zellerfeld (Germany); Geckle, U. [Karlsruher Institut für Technologie, Institute for Applied Materials, Eggenstein-Leopoldshafen (Germany); Prang, R.; Kübel, C. [Karlsruher Institut für Technologie, Institute of Nanotechnology and Karlsruher Micro Nano Facility, Eggenstein-Leopoldshafen (Germany); and others

    2014-02-03

    In the present paper, the decomposition and the crystallization behaviour of amorphous Si{sub 2}C films, which were deposited by r.f. magnetron co-sputtering on Si wafer substrates, are investigated. For analysis, the following methods were used: x-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), grazing incidence x-ray diffractometry (GIXRD), atomic force microscopy and scanning electron microscopy. After deposition, the films exhibited a homogenous amorphous structure with a variety of bonding states reaching from homonuclear silicon-like Si-Si bonds over mixed Si-Si-C bonds to heteronuclear Si-C bonds. Annealing at 1200 °C for 2 h leads to the crystallization of silicon and silicon carbide with grain diameters of several nanometers within the amorphous matrix, as evidenced by GIXRD and TEM. With XPS also a distinct change of the bonding states is detected. After 2 h of annealing, only Si-Si and Si-C bonds are detectable. After prolonged annealing at 1200 °C for 20 h, XPS shows only Si-C bonding states but no more Si-Si bonding. In addition, GIXRD verifies the absence of any polycrystalline silicon in the film. The microstructure of the film changed dramatically towards a jagged and porous structure. The vanishing of silicon during isothermal annealing is explained on base of in situ and ex situ TEM measurements, and a possible model for decomposition is suggested. - Highlights: • We investigated the thermal stability of thin films of amorphous Si{sub 2}C at 1200 °C. • Annealing led to a distinct change of bonding states and of the microstructure. • Two hours of annealing is accompanied with the formation of Si and SiC crystallites. • After 20 h of annealing, the Si decomposes and is transferred to interfaces. • The microstructure of the film changed dramatically.

  1. Magnetostriction Dependence of the Relaxation Frequency in the Magnetoimpedance Effect for Amorphous and Nanocrystalline Ribbons

    Institute of Scientific and Technical Information of China (English)

    M.L.Sánchez; V.M.Prida; B.Hernando; G.V.Kurlyandskaya; J.D.Santos; M.Tejedor; M.Vázquez

    2002-01-01

    The magnetoimpedance effect and changes of the relaxation frequency fx are studied in CoFeSiB and CoFeMoSiB amorphous and FeCuNbSiB nanocrystalline ribbons. The evolution of the magnetostriction constant λs and relaxation frequency is analysed for the states with different magnetic anisotropies induced in the same ribbons.A monotonic decrease of the relaxation frequency is observed for shifting of λs towards positive values.

  2. The boron-tailing myth in hydrogenated amorphous silicon solar cells

    OpenAIRE

    Stuckelberger, M.; Park, B.-S.; Bugnon, G.; Despeisse, M; Schüttauf, J.-W.; Haug, F.-J.; Ballif, C.

    2015-01-01

    The boron-tailing effect in hydrogenated amorphous silicon (a-Si:H) solar cells describes the reduced charge collection specifically in the blue part of the spectrum for absorber layers deposited above a critical temperature. This effect limits the device performance of state-of-the art solar cells: For enhanced current density (reduced bandgap), the deposition temperature should be as high as possible, but boron tailing gets detrimental above 200°C. To investigate this limitation and to show...

  3. 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. PMID:26924339

  4. 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.

  5. Atomic-Scale Imprinting into Amorphous Metals

    Science.gov (United States)

    Schwarz, Udo; Li, Rui; Simon, Georg; Kinser, Emely; Liu, Ze; Chen, Zheng; Zhou, Chao; Singer, Jonathan; Osuji, Chinedum; Schroers, Jan

    Nanoimprinting by thermoplastic forming (TPF) has attracted significant attention in recent years due to its promise of low-cost fabrication of nanostructured devices. Usually performed using polymers, amorphous metals have been identified as a material class that might be even better suited for nanoimprinting due to a combination of mechanical properties and processing ability. Commonly referred to as metallic glasses, their featureless atomic structure suggests that there may not be an intrinsic size limit to the material's ability to replicate a mold. To study this hypothesis, we demonstrate atomic-scale imprinting into amorphous metals by TPF under ambient conditions. Atomic step edges of a SrTiO3 (STO) single crystal used as mold were successfully imprinted into Pt-based bulk metallic glasses (BMGs) with high fidelity. Terraces on the BMG replicas possess atomic smoothness with sub-Angstrom roughness that is identical to the one measured on the STO mold. Systematic studies revealed that the quality of the replica depends on the loading rate during imprinting, that the same mold can be used multiple times without degradation of mold or replicas, and that the atomic-scale features on as-imprinted BMG surfaces has impressive long-term stability (months).

  6. 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).

  7. 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

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

    Science.gov (United States)

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

    2015-12-16

    Pure and (Ca and Si)-substituted yttrium iron garnet (Y3Fe5O12 or YIG) epitaxial layers and amorphous films on gadolinium gallium garnet (Gd3Ga5O12, or GGG) single crystal substrates were irradiated by 50 MeV (32)Si and 50 MeV (or 60 MeV) (63)Cu ions for electronic stopping powers larger than the threshold value (~4 MeV μm(-1)) for amorphous track formation in YIG crystals. Conductivity data of crystalline samples in a broad ion fluence range (10(11)-10(16) cm(-2)) are modeled with a set of rate equations corresponding to the amorphization and recrystallization induced in ion tracks by electronic excitations. The data for amorphous layers confirm that a recrystallization process takes place above ~10(14) cm(-2). Cross sections for both processes deduced from this analysis are discussed in comparison to previous determinations with reference to the inelastic thermal-spike model of track formation. Micro-Raman spectroscopy was also used to follow the related structural modifications. Raman spectra show the progressive vanishing and randomization of crystal phonon modes in relation to the ion-induced damage. For crystalline samples irradiated at high fluences (⩾10(14) cm(-2)), only two prominent broad bands remain like for amorphous films, thereby reflecting the phonon density of states of the disordered solid, regardless of samples and irradiation conditions. The main band peaked at ~660 cm(-1) is assigned to vibration modes of randomized bonds in tetrahedral (FeO4) units. PMID:26580459

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

    Science.gov (United States)

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

    2015-12-16

    Pure and (Ca and Si)-substituted yttrium iron garnet (Y3Fe5O12 or YIG) epitaxial layers and amorphous films on gadolinium gallium garnet (Gd3Ga5O12, or GGG) single crystal substrates were irradiated by 50 MeV (32)Si and 50 MeV (or 60 MeV) (63)Cu ions for electronic stopping powers larger than the threshold value (~4 MeV μm(-1)) for amorphous track formation in YIG crystals. Conductivity data of crystalline samples in a broad ion fluence range (10(11)-10(16) cm(-2)) are modeled with a set of rate equations corresponding to the amorphization and recrystallization induced in ion tracks by electronic excitations. The data for amorphous layers confirm that a recrystallization process takes place above ~10(14) cm(-2). Cross sections for both processes deduced from this analysis are discussed in comparison to previous determinations with reference to the inelastic thermal-spike model of track formation. Micro-Raman spectroscopy was also used to follow the related structural modifications. Raman spectra show the progressive vanishing and randomization of crystal phonon modes in relation to the ion-induced damage. For crystalline samples irradiated at high fluences (⩾10(14) cm(-2)), only two prominent broad bands remain like for amorphous films, thereby reflecting the phonon density of states of the disordered solid, regardless of samples and irradiation conditions. The main band peaked at ~660 cm(-1) is assigned to vibration modes of randomized bonds in tetrahedral (FeO4) units.

  10. In vitro characterization of a novel polymeric system for preparation of amorphous solid drug dispersions.

    Science.gov (United States)

    Mahmoudi, Zahra N; Upadhye, Sampada B; Ferrizzi, David; Rajabi-Siahboomi, Ali R

    2014-07-01

    Preparation of amorphous solid dispersions using polymers is a commonly used formulation strategy for enhancing the solubility of poorly water-soluble drugs. However, often a single polymer may not bring about a significant enhancement in solubility or amorphous stability of a poorly water-soluble drug. This study describes application of a unique and novel binary polymeric blend in preparation of solid dispersions. The objective of this study was to investigate amorphous solid dispersions of glipizide, a BCS class II model drug, in a binary polymeric system of polyvinyl acetate phthalate (PVAP) and hypromellose (hydroxypropyl methylcellulose, HPMC). The solid dispersions were prepared using two different solvent methods: rotary evaporation (rotavap) and fluid bed drug layering on sugar spheres. The performance and physical stability of the dispersions were evaluated with non-sink dissolution testing, powder X-ray diffraction (PXRD), and modulated differential scanning calorimetry (mDSC). PXRD analysis demonstrated an amorphous state for glipizide, and mDSC showed no evidence of phase separation. Non-sink dissolution testing in pH 7.5 phosphate buffer indicated more than twofold increase in apparent solubility of the drug with PVAP-HPMC system. The glipizide solid dispersions demonstrated a high glass transition temperature (Tg) and acceptable chemical and physical stability during the stability period irrespective of the manufacturing process. In conclusion, the polymeric blend of PVAP-HPMC offers a unique formulation approach for developing amorphous solid dispersions with the flexibility towards the use of these polymers in different ratios and combined quantities depending on drug properties. PMID:24789531

  11. Modeling SiC swelling under irradiation: Influence of amorphization

    CERN Document Server

    Romano, A; Defranceschi, M; Yip, S

    2003-01-01

    Irradiation-induced swelling of SiC is investigated using a molecular dynamics simulation-based methodology. To mimic the effect of heavy ion irradiation extended amorphous areas of various sizes are introduced in a crystalline SiC sample, and the resulting configurations are relaxed using molecular dynamics at constant pressure. Simulation results compare very well with data from existing ion implantation experiments. Analysis of the relaxed configurations shows very clearly that SiC swelling does not scale linearly with the amorphous fraction introduced. Two swelling regimes are observed depending on the size of the initial amorphous area: for small amorphous zones swelling scales like the amorphous fraction to the power 2/3, while for larger areas it scales like the amorphous fraction to the powers 2/3 and 4/3. Similar dependences on the amorphous fraction are obtained for the number of homonuclear bonds present in the initial amorphous volume and for the number of short bonds created at the interface betw...

  12. Electroless Deposition of Fe-Mo-W-B Amorphous Alloys

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The preparation, formation mechanism, surface appearance and structure of electroless plating Fe-Mo-W-B amorphous alloys were systematically studied. The deposition rates of the deposits in different bath composition as plated were measured. The formation mechanism of the deposits was discussed. The parameter for amorphous structures formation was suggested for the deposits.

  13. Generation of correlated photons in hydrogenated amorphous-silicon waveguides

    OpenAIRE

    Clemmen, S.; Perret, A; Selvaraja, Shankar Kumar; Bogaerts, Wim; Van Thourhout, Dries; Baets, Roel; Emplit, Ph.; Massar, S.

    2011-01-01

    We report the first (to our knowledge) observation of correlated photon emission in hydrogenated amorphous- silicon waveguides. We compare this to photon generation in crystalline silicon waveguides with the same geome- try. In particular, we show that amorphous silicon has a higher nonlinearity and competes with crystalline silicon in spite of higher loss.

  14. Endurance Tests Of Amorphous-Silicon Photovoltaic Modules

    Science.gov (United States)

    Ross, Ronald G., Jr.; Sugimura, Russell S.

    1989-01-01

    Failure mechanisms in high-power service studied. Report discusses factors affecting endurance of amorphous-silicon solar cells. Based on field tests and accelerated aging of photovoltaic modules. Concludes that aggressive research needed if amorphous-silicon modules to attain 10-year life - value U.S. Department of Energy established as goal for photovoltaic modules in commercial energy-generating plants.

  15. 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.

  16. 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

  17. 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…

  18. Accelerated growth from amorphous clusters to metallic nanoparticles observed in electrochemical deposition of platinum within nanopores of porous silicon

    NARCIS (Netherlands)

    Munoz-Noval, Alvaro; Fukami, Kazuhiro; Koyama, Akira; Gallach, Dario; Hermida-Merino, Daniel; Portale, Giuseppe; Kitada, Atsushi; Murase, Kuniaki; Abe, Takeshi; Hayakawa, Shinjiro; Sakka, Tetsuo

    2016-01-01

    This study examined the formation of amorphous platinum (Pt) clusters in nanopores of porous silicon at an initial stage of pore filling. The time dependency of the chemical state and local structure of Pt in the nanoporous silicon were characterized by X-ray absorption fine structure spectroscopy (

  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. 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

  1. Invar behavior of NANOPERM-type amorphous Fe–(Pt)–Zr–Nb–Cu–B alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gondro, J.; Świerczek, J., E-mail: swiercz@wip.pcz.pl; Rzącki, J.; Ciurzyńska, W.; Olszewski, J.; Zbroszczyk, J.; Błoch, K.; Osyra, M.; Łukiewska, A.

    2013-09-15

    Transmission Mössbauer spectra of amorphous Fe{sub 86}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 5}, Fe{sub 81}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 10} and Fe{sub 81}Pt{sub 5}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 5} alloys in the as-quenched state and subjected to the accumulative annealing for 15 min in the temperature range from 573 K up to 750 K are presented. After these heat treatments the alloys remain in the amorphous state. The accumulative annealing for 15 min at 573 K and then 600 K of the Fe{sub 86}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 5} and Fe{sub 81}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 10} alloys causes the narrowing of the transmission Mössbauer spectra as compared to the as-quenched state and the decrease of the average hyperfine field induction which is connected with the invar effect. For similar behavior in Fe{sub 81}Pt{sub 5}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 5} alloy the accumulative annealing up to 700 K is needed. With further increase of the annealing temperature up to 750 K the broadening of the Mössbauer spectra and the increase of the average hyperfine field induction occur. The lowest value of the average hyperfine field induction of amorphous samples is accompanied by the lowest value of the Curie temperature. The investigated amorphous alloys do not reach the magnetic saturation up to the magnetizing field of 2 T and the coefficient in Holstein–Primakoff term is about one order in magnitude larger than in other classical FeCo-based amorphous alloys due to the non-collinear magnetic structure. The Mössbauer spectra and hysteresis loops of the amorphous Fe{sub 86}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 5} alloy in the as-quenched state and after the accumulative annealing at 573+620 K for 15 min are sensitive to the tensile stresses subjected to the sample. Such behavior is ascribed to the invar anomalies. - Highlights: • Complex magnetic transformations found in the amorphous Fe{sub 86}Zr{sub 7}Nb{sub 1}Cu{sub 1}B{sub 5}, Fe{sub 81}Zr{sub 7}Nb{sub 1}Cu{sub 1}B

  2. Study on effects of carbon impurities and oxygen vacancies in amorphous alumina phosphor prepared via a solution method

    Energy Technology Data Exchange (ETDEWEB)

    Wakui, Yoshinori; Takahashi, Kanako [Department of Material and Environmental Chemistry, Graduate School of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya-shi, Tochigi 321-8585 (Japan); Shan, Yue Jin, E-mail: shan@cc.utsunomiya-u.ac.jp [Department of Material and Environmental Chemistry, Graduate School of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya-shi, Tochigi 321-8585 (Japan); Tezuka, Keitaro; Imoto, Hideo [Department of Material and Environmental Chemistry, Graduate School of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya-shi, Tochigi 321-8585 (Japan); Hosokawa, Shogo; Shinozaki, Norifumi [Tatsumori Ltd., 50 Minami-Kawada, Kami-Yukiai, Tamura-cho, Koriyama-shi, Fukushima 963-0724 (Japan); Ando, Mariko; Maekawa, Hideki [Graduate School of Engineering, Tohoku University, 6-6-04 Aramaki Aoba, Sendai-shi, Miyagi 980-8579 (Japan)

    2015-01-15

    The amorphous alumina phosphors without containing expensive or toxic elements were prepared via a solution method. The obtained sample indicates bluish-white emission centered at 390–430 nm by UV excitation. According to the measurement results of Electron Spin Resonance (ESR), Fourier Transform Infrared Spectroscopy (FT-IR) and organic microanalysis, it is found that the carbon impurities exist in the sample and they are essential for luminescence. On the other hand, {sup 27}Al NMR measurements indicate the presence of Al of 5-coordination. Moreover, there is good correspondence among the excitation spectra of the emission samples, the experimental optical properties of amorphous alumina, and the calculated oxygen vacancies levels in amorphous alumina model. Therefore, the new luminescence mechanism can be proposed as follows; the electrons in valence band are excited to oxygen vacancies bands by UV light and return to ground state through the carbon impurities band, being accompanied by the bluish-white emission. - Highlights: • The amorphous alumina prepared via solution method shows bluish-white emission. • According to the ESR results, carbon impurities are necessary for luminescence. • FT-IR, NMR and UV–vis measurements of the samples were conducted. • Our results indicated that oxygen vacancies play an important role. • We proposed the new luminescence mechanism for amorphous alumina phosphor.

  3. Influence of microenvironment pH, humidity, and temperature on the stability of polymorphic and amorphous forms of clopidogrel bisulfate

    DEFF Research Database (Denmark)

    Raijada, Dhara K; Singh, Saranjit; Bansal, Arvind K;

    2010-01-01

    The effect of microenvironment pH, humidity, and temperature was evaluated on the stability of polymorphic and amorphous forms of clopidogrel bisulfate, when present alone or in combinations. Oxalic acid and sodium carbonate were used as solid stressors to create acidic and alkaline pH, respectiv...... salt to free base. Thermal studies indicated that polymorphic forms of clopidogrel bisulfate and also its glassy amorphous form were highly resistant to temperature, whereas the rubbery state of the drug degraded significantly at temperatures of > or =80 degrees C.......The effect of microenvironment pH, humidity, and temperature was evaluated on the stability of polymorphic and amorphous forms of clopidogrel bisulfate, when present alone or in combinations. Oxalic acid and sodium carbonate were used as solid stressors to create acidic and alkaline p...

  4. 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.

  5. 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.

  6. 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.

  7. 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).

  8. 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.

  9. Amorphous Silicon Display Backplanes on Plastic Substrates

    Science.gov (United States)

    Striakhilev, Denis; Nathan, Arokia; Vygranenko, Yuri; Servati, Peyman; Lee, Czang-Ho; Sazonov, Andrei

    2006-12-01

    Amorphous silicon (a-Si) thin-film transistor (TFT) backplanes are very promising for active-matrix organic light-emitting diode displays (AMOLEDs) on plastic. The technology benefits from a large manufacturing base, simple fabrication process, and low production cost. The concern lies in the instability of the TFTs threshold voltage (VT) and its low device mobility. Although VT-instability can be compensated by means of advanced multi-transistor pixel circuits, the lifetime of the display is still dependent on the TFT process quality and bias conditions. A-Si TFTs with field-effect mobility of 1.1 cm2/V · s and pixel driver circuits have been fabricated on plastic substrates at 150 °C. The circuits are characterized in terms of current drive capability and long-term stability of operation. The results demonstrate sufficient and stable current delivery and the ability of the backplane on plastic to meet AMOLED requirements.

  10. Carrier transport in amorphous silicon utilizing picosecond photoconductivity

    Science.gov (United States)

    Johnson, A. M.

    1981-08-01

    The development of a high-speed electronic measurement capability permitted the direct observation of the transient photoresponse of amorphous silicon (a-Si) with a time resolution of approximately 10ps. This technique was used to measure the initial mobility of photogenerated (2.1eV) free carriers in three types of a-Si having widely different densities of structural defects (i.e., as prepared by: (1) RF glow discharge (a-Si:H); (2) chemical vapor deposition; and (3) evaporation in ultra-high vacuum). In all three types of a-Si, the same initial mobility of approximately 1 cu cm/Vs at room temperature was found. This result tends to confirm the often-made suggestion that the free carrier mobility is determined by the influence of shallow states associated with the disorder in the random atomic network, and is an intrinsic property of a-Si which is unaffected by the method of preparation. The rate of decay of the photocurrent correlates with the density of structural defects and varies from 4ps to 200ps for the three types of a-Si investigated. The initial mobility of a-Si:H was found to be thermally activated. The possible application of extended state transport controlled by multiple trapping and small polaron formation is discussed.

  11. PREFACE: 13th International Conference on Liquid and Amorphous Metals

    Science.gov (United States)

    Popel, Pjotr; Gelchinskii, Boris; Sidorov, Valeriy; Son, Leonid; Sabirzjanov, Alexandre

    2007-06-01

    The state of the art in the field of liquid and amorphous metals and alloys is regularly updated through two series of complementary international conferences, the LAM (Liquid and Amorphous Metals) and the RQ (Rapidly Quenched Materials). The first series of the conferences started as LM-1 in 1966 at Brookhaven for the basic understanding of liquid metals. The subsequent LM conferences were held in Tokyo (1972) and Bristol (1976). The conference was renewed in Grenoble (1980) as a LAM conference including amorphous metals and continued in Los Angeles (1983), Garmisch-Partenkirchen (1986), Kyoto (1989), Vienna (1992), Chicago (1995), Dortmund (1998), Yokohama (2001) and Metz (2004). The conferences are mainly devoted to liquid and amorphous metals and alloys. However, communications on some non-metallic systems such as semi conductors, quasicrystals etc, were accepted as well. The conference tradition strongly encourages the participation of junior researchers and graduate students. The 13th conference of the LAM series was organized in Ekaterinburg, Russia, by the Institute of Metallurgy of the Ural Branch of the Russian Academy of Sciences (IMet UB RAS) and Ural State Pedagogical University (USPU) and held on 8-13 July 2007 under the chairmanship of Professors Pjotr Popel (USPU) and Boris Gelchinskii (IMet UB RAS). There were 242 active and about 60 guest participants from 20 countries who attended the conference. There were no parallel sessions and all oral reports were separated into three groups: invited talks (40 min), full-scale (25 min) and brief (15 min) oral reports. The program included 10 sessions, ranging from purely theoretical subjects to technological application of molten and amorphous alloys. The following sessions took place: A) Electronic structure and transport, magnetic properties; B) Phase transitions; C) Structure; D) Atomic dynamics and transport; E) Thermodynamics; F) Modelling, simulation; G) Surface and interface; H) Mechanical properties

  12. Imaging of Crystalline and Amorphous Surface Regions Using Time-of-Flight Secondary-Ion Mass Spectrometry (ToF-SIMS): Application to Pharmaceutical Materials.

    Science.gov (United States)

    Iuraş, Andreea; Scurr, David J; Boissier, Catherine; Nicholas, Mark L; Roberts, Clive J; Alexander, Morgan R

    2016-04-01

    The structure of a material, in particular the extremes of crystalline and amorphous forms, significantly impacts material performance in numerous sectors such as semiconductors, energy storage, and pharmaceutical products, which are investigated in this paper. To characterize the spatial distribution for crystalline-amorphous forms at the uppermost molecular surface layer, we performed time-of-flight secondary-ion mass spectroscopy (ToF-SIMS) measurements for quench-cooled amorphous and recrystallized samples of the drugs indomethacin, felodipine, and acetaminophen. Polarized light microscopy was used to localize crystallinity induced in the samples under controlled conditions. Principal component analysis was used to identify the subtle changes in the ToF-SIMS spectra indicative of the amorphous and crystalline forms for each drug. The indicators of amorphous and crystalline surfaces were common in type across the three drugs, and could be explained in general terms of crystal packing and intermolecular bonding, leading to intramolecular bond scission in the formation of secondary ions. Less intramolecular scission occurred in the amorphous form, resulting in a greater intensity of molecular and dimer secondary ions. To test the generality of amorphous-crystalline differentiation using ToF-SIMS, a different recrystallization method was investigated where acetaminophen single crystals were recrystallized from supersaturated solutions. The findings indicated that the ability to assign the crystalline/amorphous state of the sample using ToF-SIMS was insensitive to the recrystallization method. This demonstrates that ToF-SIMS is capable of detecting and mapping ordered crystalline and disordered amorphous molecular materials forms at micron spatial resolution in the uppermost surface of a material.

  13. The influence of post-deposition annealing upon amorphous silicon/crystalline silicon heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Mikolášek, Miroslav, E-mail: miroslav.mikolasek@stuba.sk [Slovak University of Technology, Faculty of Electrical Engineering and Information Technology, Ilkovičova 3, 812 19 Bratislava (Slovakia); Nemec, Michal; Kováč, Jaroslav [Slovak University of Technology, Faculty of Electrical Engineering and Information Technology, Ilkovičova 3, 812 19 Bratislava (Slovakia); Foti, Marina; Gerardi, Cosimo [IMS-R and D, STMicroelectronics, Stradale Primosole, 50, 95121 Catania (Italy); Mannino, Giovanni; Valenti, Luca; Lombardo, Salvatore [CNR-IMM, Zona Industriale, Ottava Strada, 5, 95121 Catania (Italy)

    2014-11-15

    Highlights: • We studied the impact of the thermal annealing on the silicon heterojunction solar cells. • Compared were samples deposited by ICP-CVD and PE-CVD methods. • Annealing up to 250 °C improves output performance of both solar cells. • Annealing above 250 °C increases defect states density at the interface and in the amorphous emitter. • Samples deposited by ICP-CVD shows better resistance against annealing. - Abstract: This paper presents a comparative study of the influence of post-deposition annealing on amorphous silicon/crystalline silicon heterojunction solar cells deposited by ICP-CVD and PE-CVD techniques. Two major effects on the solar cell efficiency occur caused by thermal annealing. The first effect is a slight improvement of the performance on annealing up to 250 °C. The second effect, for annealing temperatures above 250 °C, reveals deterioration of the solar cell performance. It is suggested that both effects are related to thermally activated diffusion of hydrogen. For low annealing temperatures, diffusion of weakly bonded hydrogen allows to passivate the defects in the amorphous emitter and at the heterointerface. In the high temperature annealing region, outdiffusion of hydrogen is assumed to be responsible for an increase of defect states in the structures. The results indicate a better stability after high temperature treatment for the sample prepared by ICP-CVD technology.

  14. Spray-dried amorphous isomalt and melibiose, two potential protein-stabilizing excipients.

    Science.gov (United States)

    Lipiäinen, Tiina; Peltoniemi, Marikki; Räikkönen, Heikki; Juppo, Anne

    2016-08-20

    The possibility of producing amorphous isomalt and melibiose by spray drying was studied. The impact of process parameters on yield and solid-state stability was compared to sucrose and trehalose. All powders remained amorphous during 2-3 weeks. Processing was challenging due to powder stickiness. Low-temperature and low-humidity drying processes generally performed best. Most isomalt and sucrose powder was retrieved when using 60°C inlet temperature, 800L/h atomizing rate, 1.4ml/min feed rate, 15% concentration and 100% aspirator rate, giving 42-43°C outlet temperature. Isomalt was the most problematic, because it had the lowest Tg and became sticky very easily, therefore process parameters needed to be precisely balanced. There was more freedom in designing processes for melibiose but best yields were obtained with low-temperature (50°C inlet temperature, 800L/h atomizing rate, 4.9ml/min feed rate, 10% concentration and 100% aspirator, 39°C outlet temperature). Trehalose was different in that higher temperatures resulted in better yields. Yet, trehalose generally contained the highest moisture contents. The possibility to produce amorphous isomalt and melibiose at low-temperature process conditions makes them promising considering spray drying applications for heat-sensitive proteins. Melibiose is a better candidate than isomalt because of easier processability and superior solid-state stability. PMID:27321131

  15. Chemical vapour deposition of amorphous Ru(P) thin films from Ru trialkylphosphite hydride complexes.

    Science.gov (United States)

    McCarty, W Jeffrey; Yang, Xiaoping; DePue Anderson, Lauren J; Jones, Richard A

    2012-11-21

    The ruthenium phosphite hydride complexes H(2)Ru(P(OR)(3))(4) (R = Me (1), Et (2), (i)Pr (3)) were used as CVD precursors for the deposition of films of amorphous ruthenium-phosphorus alloys. The as-deposited films were X-ray amorphous and XPS analysis revealed that they were predominantly comprised of Ru and P in zero oxidation states. XPS analysis also showed the presence of small amounts of oxidized ruthenium and phosphorus. The composition of the films was found to depend on ligand chemistry as well as the deposition conditions. The use of H(2) as the carrier gas had the effect of increasing the relative concentrations of P and O for all films. Annealing films to 700 °C under vacuum produced films of polycrystalline hcp Ru while a flowing stream of H(2) resulted in polycrystalline hcp RuP. PMID:23018487

  16. 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

    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....... 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...

  17. The origin of GEMS in IDPs as deduced from microstructural evolution of amorphous silicates with annealing

    CERN Document Server

    Davoisne, C; Leroux, H; D'Hendecourt, L B; Jones, A; Deboffle, D

    2006-01-01

    We present laboratory studies of the micro-structural evolution of an amorphous ferro-magnesian silicate, of olivine composition, following thermal annealing under vacuum. Annealing under vacuum was performed at temperatures ranging from 870 to 1020 K. After annealing spheroidal metallic nano-particles (2-50 nm) are found within the silicate films. We interpret this microstructure in terms of a reduction of the initial amorphous silicate FeO component, because of the carbon-rich partial pressure in the furnace due to pumping mechanism. Annealing in a controlled oxygen-rich atmosphere confirms this interpretation. The observed microstructures closely resemble those of the GEMS (Glass with Embedded Metal and Sulphides) found in chondritic IDPs (Interplanetary Dust Particles). Since IDPs contain abundant carbonaceous matter, a solid-state reduction reaction may have occurred during heating in the hot inner regions of the proto-solar disc. Related to this, the presence of forsterite grains grown from the amorphou...

  18. Magnetic Properties Of Amorphous And Nanocrystalline FeNiZrCuB Alloys

    International Nuclear Information System (INIS)

    The coercive fields Hc, saturation magnetizations Js and magnetostrictions λs of the amorphous Fe86-xNixZr7Cu1B6 alloys different contents of Ni(0-86 at.%) were investigated at room temperature. Thermomagnetic analyses by means of initial AC permeability and resistivity at the amorphous and nanocrystalline states of the investigated alloys were performed up to 5500 C. It was found that additions of Ni up to x = 33 at.% cause an increase of Hc, Js, λs. Additions of Ni (x = 0 - 43) cause drastic increase of the Curie temperature from 71 deg C for x 0at.% to 373 deg C for x = 43at.% of Ni. Higher concentration of Ni causes a decrease of Hc, Js, λs and Tc. (Authors)

  19. The structural and electronic properties of amorphous HgCdTe from first-principles calculations

    International Nuclear Information System (INIS)

    Amorphous mercury cadmium telluride (a-MCT) model structures, with x being 0.125 and 0.25, are obtained from first-principles calculations. We generate initial structures by computation alchemy method. It is found that most atoms in the network of amorphous structures tend to be fourfold and form tetrahedral structures, implying that the chemical ordered continuous random network with some coordination defects is the ideal structure for a-MCT. The electronic structure is also concerned. The gap is found to be 0.30 and 0.26 eV for a-Hg0.875Cd0.125Te and a-Hg0.75Cd0.25Te model structures, independent of the composition. By comparing with the properties of crystalline MCT with the same composition, we observe a blue-shift of energy band gap. The localization of tail states and its atomic origin are also discussed. (paper)

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

    Directory of Open Access Journals (Sweden)

    Junghwan Kim

    2016-01-01

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

  1. NATO Advanced Study Institute on Hydrogen in Disordered and Amorphous Solids

    CERN Document Server

    Bowman, Robert

    1986-01-01

    This is the second volume in the NATO ASI series dealing with the topic of hydrogen in solids. The first (V. B76, Metal Hydrides) appeared five years ago and focussed primarily on crystalline phases of hydrided metallic systems. In the intervening period, the amorphous solid state has become an area of intense research activity, encompassing both metallic and non-metallic, e.g. semiconducting, systems. At the same time the problem of storage of hydrogen, which motivated the first ASI, continues to be important. In the case of metallic systems, there were early indications that metallic glasses and disordered alloys may be more corrosion resistant, less susceptible to embrittlement by hydrogen and have a higher hydrogen mobility than ordered metals or intermetallics. All of these properties are desirable for hydrogen storage. Subsequent research has shown that thermodynamic instability is a severe problem in many amorphous metal hydrides. The present ASI has provided an appropriate forum to focus on these issu...

  2. Electonic properties of hydrogenated amorphous silicon-germanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bullot, J.; Galin, M.; Gauthier, M. (Universite de Paris-Sud, Orsay (France)); Bourdon, B. (CIT-Alcatel Transmission, Marcoussis (France))

    1983-06-01

    The electronic properties of some binary hydrogenated amorphous silicon-germanium alloys a-Sisub(x)Gesub(1-x):H in the silicon rich region (x > 0.6) are investigated. Experimental evidence is presented of photo-induced effects similar to those described in Si:H (Staebler-Wronski effect). The electronic properties are then studied from the dual point of view of the germanium content dependence and of the photo and thermal histories of the films. The dark conductivity changes between the annealed state and the light-soaked state are interpreted in terms of the variation of the temperature coefficient of the Fermi level. The photoconductivity efficiency is shown to remain close to that of a-Si:H for 1 > x >= 0.9 and to strongly decrease when the germanium content is further increased: the photoresponse of the Sisub(0.62)Gesub(0.38) alloy is 10/sup 4/ times smaller than that of a-Si:H. This deterioration of the photoconductive properties is explained in terms of the increase of the density of gap states following Ge substitution. This conclusion is based on the study of the width of the exponential absorption edge and on the results of photoconductivity time response studies. The latter data are interpreted by means of the model of Rose of trapping and recombination kinetics and it is found that for x approximately 0.6 the density of states at 0.4-0.5 eV below the mobility edge is 7 x 10/sup 17/ eV/sup -1/ cm/sup -3/ as compared to 2.4 x 10/sup 16/ eV/sup -1/ cm/sup -3/ for x = 0.97.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-07-07

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

  4. Silicon Monoxide at 1 atm and Elevated Pressures: Crystalline or Amorphous?

    KAUST Repository

    AlKaabi, Khalid

    2014-03-05

    The absence of a crystalline SiO phase under ordinary conditions is an anomaly in the sequence of group 14 monoxides. We explore theoretically ordered ground-state and amorphous structures for SiO at P = 1 atm, and crystalline phases also at pressures up to 200 GPa. Several competitive ground-state P = 1 atm structures are found, perforce with Si-Si bonds, and possessing Si-O-Si bridges similar to those in silica (SiO2) polymorphs. The most stable of these static structures is enthalpically just a little more stable than a calculated random bond model of amorphous SiO. In that model we find no segregation into regions of amorphous Si and amorphous SiO2. The P = 1 atm structures are all semiconducting. As the pressure is increased, intriguing new crystalline structures evolve, incorporating Si triangular nets or strips and stishovite-like regions. A heat of formation of crystalline SiO is computed; it is found to be the most negative of all the group 14 monoxides. Yet, given the stability of SiO2, the disproportionation 2SiO (s) → Si(s)+SiO2(s) is exothermic, falling right into the series of group 14 monoxides, and ranging from a highly negative ΔH of disproportionation for CO to highly positive for PbO. There is no major change in the heat of disproportionation with pressure, i.e., no range of stability of SiO with respect to SiO2. The high-pressure SiO phases are metallic. © 2014 American Chemical Society.

  5. 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

  6. Health hazards due to the inhalation of amorphous silica

    International Nuclear Information System (INIS)

    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 emphysema cannot be excluded. There is no

  7. THE ELECTRONIC STRUCTURE OF A MODEL DEFECT IN HYDROGENATED AMORPHOUS SILICON

    OpenAIRE

    DiVincenzo, D.; Bernholc, J.; Brodsky, M.

    1981-01-01

    We calculate the electronic properties of a model defect for hydrogen in hydrogenated amorphous Si. Our model is a vacancy in crystal Si with four H's satisfying the dangling bonds. Using a Green's function technique, we find the change in the density of states caused by the defect, as well as the local density of states for the Si-H bond and surrounding bonds. From several approaches, we extract information on band edge localization. Each approach gives a mobility edge of order tenths of an ...

  8. History dependent vortex configurations in superconducting disks of amorphous MoGe

    International Nuclear Information System (INIS)

    We have investigated spatial configurations of vortices in superconducting disks of amorphous MoGe as a function of field history. Employing a scanning SQUID microscope technique, we observe quasi-symmetric distributions of the vortices imposed by the disk geometry. For a field cool measurement, a single vortex state appears after the Meissner state and it is followed by multi-vortex states at higher fields. In a zero field cool (ZFC) measurement, however, different behaviors are observed. On increasing magnetic field, the Meissner state switches directly to the multi-vortex state without showing the single vortex state. The corresponding magnetization curves of the disks are strikingly history dependent. These results indicate that the ZFC procedure results in an unusual penetration of the vortices in the small superconducting disks.

  9. 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.

  10. Substrate induced crystallization of amorphous solid water at low temperatures

    International Nuclear Information System (INIS)

    We show that N2 monolayer desorption from ice surfaces is a quantitative, highly sensitive method for following the surface crystallization kinetics at low temperatures. Vapor deposited water films on a crystalline ice substrate exhibit amorphous growth at temperatures below ∼110 K. The rate of crystallization for these amorphous films is dramatically accelerated compared to the rate of crystallization observed for the amorphous films deposited directly on Pt(111). We find that the crystalline ice substrate acts as a two-dimensional nucleus for the growth of the crystalline phase, thereby accelerating the crystallization kinetics. copyright 1999 American Institute of Physics

  11. Formation and Corrosion Resistance of Amorphous Ti Base Alloys

    OpenAIRE

    Naka, M.; Okada, T.; T. Matsui

    1996-01-01

    Corrosion resistant amorphous Ti-B and Ti-Si alloys were prepared on various substrates by RF sputtering. The alloying of B content of 8 at% or more stabilizes the amorphous structure. The corrosion properties of Ti alloys were evaluated by measuring the polarization curves in 1N HCl. Although the addition of B to crystalline bulky Ti shifts the corrosion potentials of Ti to the less nobles of -0.5 V(SCE) or less, that of B to amorphous sputtered Ti moves the corrosion potentials to the noble...

  12. Iron-Based Amorphous Metals:The High Performance Corrosion Resistant Materials(HPCRM) Program

    International Nuclear Information System (INIS)

    An overview of the High-Performance Corrosion-Resistant Materials (HPCRM) Program, which was co-sponsored by the Defense Advanced Research Projects Agency (DARPA) Defense Sciences Office (DSO) and the United States Department of Energy (DOE) Office of Civilian and Radioactive Waste Management (OCRWM), is discussed. Programmatic investigations have included a broad range of topics: alloy design and composition; materials synthesis; thermal stability; corrosion resistance; environmental cracking; mechanical properties; damage tolerance; radiation effects; and important potential applications. Amorphous alloys identified as SAM2X5 (Fe49.7Cr17.7Mn1.9Mo7.4W1.6B15.2C3.8Si2.4) and SAM1651 (Fe48Mo14Cr15Y2C15B6) have been produced as melt-spun ribbons, drop-cast ingots and thermal-spray coatings. Chromium (Cr), molybdenum (Mo) and tungsten (W) additions provided corrosion resistance, while boron (B) enabled glass formation. Earlier electrochemical studies of melt-spun ribbons and ingots of these amorphous alloys demonstrated outstanding passive film stability. More recently thermal-spray coatings of these amorphous alloys have been made and subjected to long-term salt-fog and immersion tests. Good corrosion resistance has been observed during salt-fog testing. Corrosion rates were measured in situ with linear polarization, while simultaneously monitoring the open-circuit corrosion potentials. Reasonably good performance was observed. The sensitivity of these measurements to electrolyte composition and temperature was determined. The high boron content of this particular amorphous metal makes this amorphous alloy an effective neutron absorber, and suitable for criticality control applications. In general, the corrosion resistance of such iron-based amorphous metals is maintained at operating temperatures up to the glass transition temperature. These materials are much harder than conventional stainless steel and nickel-based materials, and are proving to have excellent wear

  13. Iron-Based Amorphous Metals:The High Performance Corrosion Resistant Materials(HPCRM) Program

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, J

    2007-07-09

    An overview of the High-Performance Corrosion-Resistant Materials (HPCRM) Program, which was co-sponsored by the Defense Advanced Research Projects Agency (DARPA) Defense Sciences Office (DSO) and the United States Department of Energy (DOE) Office of Civilian and Radioactive Waste Management (OCRWM), is discussed. Programmatic investigations have included a broad range of topics: alloy design and composition; materials synthesis; thermal stability; corrosion resistance; environmental cracking; mechanical properties; damage tolerance; radiation effects; and important potential applications. Amorphous alloys identified as SAM2X5 (Fe{sub 49.7}Cr{sub 17.7}Mn{sub 1.9}Mo{sub 7.4}W{sub 1.6}B{sub 15.2}C{sub 3.8}Si{sub 2.4}) and SAM1651 (Fe{sub 48}Mo{sub 14}Cr{sub 15}Y{sub 2}C{sub 15}B{sub 6}) have been produced as melt-spun ribbons, drop-cast ingots and thermal-spray coatings. Chromium (Cr), molybdenum (Mo) and tungsten (W) additions provided corrosion resistance, while boron (B) enabled glass formation. Earlier electrochemical studies of melt-spun ribbons and ingots of these amorphous alloys demonstrated outstanding passive film stability. More recently thermal-spray coatings of these amorphous alloys have been made and subjected to long-term salt-fog and immersion tests. Good corrosion resistance has been observed during salt-fog testing. Corrosion rates were measured in situ with linear polarization, while simultaneously monitoring the open-circuit corrosion potentials. Reasonably good performance was observed. The sensitivity of these measurements to electrolyte composition and temperature was determined. The high boron content of this particular amorphous metal makes this amorphous alloy an effective neutron absorber, and suitable for criticality control applications. In general, the corrosion resistance of such iron-based amorphous metals is maintained at operating temperatures up to the glass transition temperature. These materials are much harder than conventional

  14. Iron-Based Amorphous-Metals: High-Performance Corrosion-Resistant Material (HPCRM) Development

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, J C; Choi, J S; Saw, C; Haslam, J; Day, D; Hailey, P; Lian, T; Rebak, R; Perepezko, J; Payer, J; Branagan, D; Beardsley, B; D' Amato, A; Aprigliano, L

    2008-01-09

    An overview of the High-Performance Corrosion-Resistant Materials (HPCRM) Program, which was co-sponsored by the Defense Advanced Research Projects Agency (DARPA) Defense Sciences Office (DSO) and the United States Department of Energy (DOE) Office of Civilian and Radioactive Waste Management (OCRWM), is discussed. Programmatic investigations have included a broad range of topics: alloy design and composition; materials synthesis; thermal stability; corrosion resistance; environmental cracking; mechanical properties; damage tolerance; radiation effects; and important potential applications. Amorphous alloys identified as SAM2X5 (Fe{sub 49.7}Cr{sub 17.7}Mn{sub 1.9}Mo{sub 7.4}W{sub 1.6}B{sub 15.2}C{sub 3.8}Si{sub 2.4}) and SAM1651 (Fe{sub 48}Mo{sub 14}Cr{sub 15}Y{sub 2}C{sub 15}B{sub 6}) have been produced as melt-spun ribbons, drop-cast ingots and thermal-spray coatings. Chromium (Cr), molybdenum (Mo) and tungsten (W) additions provided corrosion resistance, while boron (B) enabled glass formation. Earlier electrochemical studies of melt-spun ribbons and ingots of these amorphous alloys demonstrated outstanding passive film stability. More recently thermal-spray coatings of these amorphous alloys have been made and subjected to long-term salt-fog and immersion tests. Good corrosion resistance has been observed during salt-fog testing. Corrosion rates were measured in situ with linear polarization, while simultaneously monitoring the open-circuit corrosion potentials. Reasonably good performance was observed. The sensitivity of these measurements to electrolyte composition and temperature was determined. The high boron content of this particular amorphous metal makes this amorphous alloy an effective neutron absorber, and suitable for criticality control applications. In general, the corrosion resistance of such iron-based amorphous metals is maintained at operating temperatures up to the glass transition temperature. These materials are much harder than conventional

  15. Is the amorphous fraction of a dried nanosuspension caused by milling or by drying? A case study with Naproxen and Cinnarizine.

    Science.gov (United States)

    Kayaert, Pieterjan; Van den Mooter, Guy

    2012-08-01

    One of the benefits of nanocrystals is their positive effect on the solubility and dissolution rate without alterations to the solid state. Up to now, amorphization of nanocrystals after milling or drying has only rarely been described. The results we present in this article prove that amorphization occurs in some specific cases. This conclusion is based on careful investigation of two different drugs and one polymeric stabilizer. Milling is often mentioned as the prime suspect for solid-state alterations; however, milling proved to be an unlikely cause as the water present in the nanosuspensions acts as a plasticizer that triggers recrystallization. The cause of amorphization can instead be found in the interplay between drug and stabilizer after drying. If a drug is soluble in the stabilizer in the solid state, an amorphous solid dispersion is formed at the interface. Calculations show that the total amount of amorphous material is rather low, but even a small amount could have an influence on both chemical and physical stability or influence the bioavailability if uncontrolled crystallization occurs during storage. In general, those results prove that in depth testing and characterization of the solid state of a dried nanocrystal formulation remains very important. PMID:22579733

  16. Power change in amorphous silicon technology by low temperature annealing

    Directory of Open Access Journals (Sweden)

    Mittal Ankit

    2015-01-01

    Full Text Available Amorphous silicon (a-Si is one of the best established thin-film solar-cell technologies. Despite its long history of research, it still has many critical issues because of its defect rich material and its susceptibility to degrade under light also called as Staebler-Wronski effect (SWE. This leads to an increase in the defect density of a-Si, but as a metastable effect it can be completely healed at temperatures above 170 °C. Our study is focused on investigating the behavior of annealing of different a-Si modules under low temperature conditions below 80 °C indicated by successive change of module power. These conditions reflect the environmental temperature impact of the modules in the field, or integrated in buildings as well. The power changes were followed by STC power rating and investigation of module-power evolution under low irradiance conditions at 50 W/m2. Our samples were recovered close to their initial state of power, reaching as high as 99% from its degraded value. This shows the influence of low temperature annealing and light on metastable module behavior in a-Si thin-film modules.

  17. Anisotropic phase separation in amorphous Fe--Ge alloys

    International Nuclear Information System (INIS)

    Magnetron sputtered amorphous FexGe100-x films have been examined with anomalous small-angle x-ray scattering (ASAXS) in an attempt to characterize composition fluctuations which have been previously reported in this system. Films grown under various deposition conditions have been studied, with the scattering vector both in and oblique to the plane of the films, to search for anisotropy. By manipulating the deposited power flux and rates of growth, films which have the same composition can be grown to different states of phase separation. The total correlation functions have been calculated from the oblique scattering experiments. The anisotropy can be successfully modeled as a close-packing of oriented prolate ellipsoidal particles, with the elongated axis along the direction of film growth. A method for using these measurements to determine the compositions of the phase-separating species has been developed and utilized. The results indicate phase separation into a-Ge and a-FeGe2 for the a-FexGe100-x (x<33) alloy

  18. Structural Defects In The FeCoYB Amorphous Alloys

    Directory of Open Access Journals (Sweden)

    Błoch K.

    2015-09-01

    Full Text Available The aim of this work was to determine the nature of the structural defects that have a major influence on the magnetisation process within the investigated alloys. The structure of the alloys in the as-quenched state was investigated by means of X-ray diffractometry. It was confirmed that the samples were amorphous. The magnetisation was measured within magnetic fields ranging from 0 to 2T using a vibrating sample magnetometer (VSM. The investigation of the ‘magnetisation in the area close to ferromagnetic saturation’ showed that, for this class of alloys, the magnetisation process in strong magnetic fields is connected with the following two influences: 1 Firstly, the rotation of the magnetic moments in the vicinity of the defects, which are the sources of the short-range stresses, and, 2 The dumping of the thermally-induced spin waves by the magnetic field. In the case of the Fe63Co10Y7B20 alloy, the magnetisation process is connected with both point and linear defects, whereas for the Fe64Co10Y6B20 alloy, only with linear defects. This suggests that the size of the defects, determining the character of the magnetisation in the vicinity of ferromagnetic saturation, depends on the atomic packing density. On the basis of analysis of the magnetisation curves, the spin wave stiffness parameter (Dsp was calculated.

  19. Amorphous carbon interlayers for gold on elastomer stretchable conductors

    Science.gov (United States)

    Manzoor, M. U.; Tuinea-Bobe, C. L.; McKavanagh, F.; Byrne, C. P.; Dixon, D.; Maguire, P. D.; Lemoine, P.

    2011-06-01

    Gold on polydimethylsiloxane (PDMS) stretchable conductors were prepared using a novel approach by interlacing an hydrogenated amorphous carbon (a-C : H) layer between the deposited metal layer and the elastomer. AFM analysis of the a-C : H film surface before gold deposition shows nanoscale buckling, the corresponding increase in specific surface area corresponds to a strain compensation for the first 4-6% of bi-axial tensile loading. Without this interlayer, the deposited gold films show much smaller and uni-directional ripples as well as more cracks and delaminations. With a-C : H interlayer, the initial electrical resistivity of the metal film decreases markedly (280-fold decrease to 8 × 10-6 Ω cm). This is not due to conduction within the carbon interlayer; both a-C : H/PDMS and PDMS substrates are electrically insulating. Upon cyclic tensile loading, both films become more resistive, but return to their initial state after 20 tensile cycles up to 60% strain. Profiling experiments using secondary ion mass spectroscopy and x-ray photoelectron spectroscopy indicate that the a-C : H layer intermixes with the PDMS, resulting in a graded layer of decreasing stiffness. We believe that both this graded layer and the surface buckling contribute to the observed improvement in the electrical performance of these stretchable conductors.

  20. Temperature dependence of hydrogenated amorphous silicon solar cell performances

    Science.gov (United States)

    Riesen, Y.; Stuckelberger, M.; Haug, F.-J.; Ballif, C.; Wyrsch, N.

    2016-01-01

    Thin-film hydrogenated amorphous silicon solar (a-Si:H) cells are known to have better temperature coefficients than crystalline silicon cells. To investigate whether a-Si:H cells that are optimized for standard conditions (STC) also have the highest energy yield, we measured the temperature and irradiance dependence of the maximum power output (Pmpp), the fill factor (FF), the short-circuit current density (Jsc), and the open-circuit voltage (Voc) for four series of cells fabricated with different deposition conditions. The parameters varied during plasma-enhanced chemical vapor deposition (PE-CVD) were the power and frequency of the PE-CVD generator, the hydrogen-to-silane dilution during deposition of the intrinsic absorber layer (i-layer), and the thicknesses of the a-Si:H i-layer and p-type hydrogenated amorphous silicon carbide layer. The results show that the temperature coefficient of the Voc generally varies linearly with the Voc value. The Jsc increases linearly with temperature mainly due to temperature-induced bandgap reduction and reduced recombination. The FF temperature dependence is not linear and reaches a maximum at temperatures between 15 °C and 80 °C. Numerical simulations show that this behavior is due to a more positive space-charge induced by the photogenerated holes in the p-layer and to a recombination decrease with temperature. Due to the FF(T) behavior, the Pmpp (T) curves also have a maximum, but at a lower temperature. Moreover, for most series, the cells with the highest power output at STC also have the best energy yield. However, the Pmpp (T) curves of two cells with different i-layer thicknesses cross each other in the operating cell temperature range, indicating that the cell with the highest power output could, for instance, have a lower energy yield than the other cell. A simple energy-yield simulation for the light-soaked and annealed states shows that for Neuchâtel (Switzerland) the best cell at STC also has the best energy

  1. An investigation into the crystallization tendency/kinetics of amorphous active pharmaceutical ingredients: A case study with dipyridamole and cinnarizine.

    Science.gov (United States)

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

    2016-07-01

    Amorphous drug formulations have great potential to enhance solubility and thus bioavailability of BCS class II drugs. However, the higher free energy and molecular mobility of the amorphous form drive them towards the crystalline state which makes them unstable. Accurate determination of the crystallization tendency/kinetics is the key to the successful design and development of such systems. In this study, dipyridamole (DPM) and cinnarizine (CNZ) have been selected as model compounds. Thermodynamic fragility (mT) was measured from the heat capacity change at the glass transition temperature (Tg) whereas dynamic fragility (mD) was evaluated using methods based on extrapolation of configurational entropy to zero [Formula: see text] , and heating rate dependence of Tg [Formula: see text] . The mean relaxation time of amorphous drugs was calculated from the Vogel-Tammann-Fulcher (VTF) equation. Furthermore, the correlation between fragility and glass forming ability (GFA) of the model drugs has been established and the relevance of these parameters to crystallization of amorphous drugs is also assessed. Moreover, the crystallization kinetics of model drugs under isothermal conditions has been studied using Johnson-Mehl-Avrami (JMA) approach to determine the Avrami constant 'n' which provides an insight into the mechanism of crystallization. To further probe into the crystallization mechanism, the non-isothermal crystallization kinetics of model systems were also analysed by statistically fitting the crystallization data to 15 different kinetic models and the relevance of model-free kinetic approach has been established. The crystallization mechanism for DPM and CNZ at each extent of transformation has been predicted. The calculated fragility, glass forming ability (GFA) and crystallization kinetics are found to be in good correlation with the stability prediction of amorphous solid dispersions. Thus, this research work involves a multidisciplinary approach to

  2. 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.

  3. Source Molecular Effect on Amorphous Carbon Film Deposition

    OpenAIRE

    Kawazoe, Hiroki; Inayoshi, Takanori; Shinohara, Masanori; Matsuda, Yoshinobu; Fujiyama, Hiroshi; Nitta, Yuki; Nakatani, Tatsuyuki

    2009-01-01

    We investigated deposition process of amorphous carbon films using acetylene and methane as a source molecule, by using infrared spectroscopy in multiple internal reflection geometry (MIR-IRAS). We found that deposited film structures were different due to source molecules.

  4. 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.

  5. Laser annealing of amorphous silicon core optical fibers

    OpenAIRE

    Healy, N; Mailis, S.; Day, T. D.; Sazio, P.J.A.; Badding, J. V.; A.C. Peacock

    2012-01-01

    Laser annealing of an optical fiber with an amorphous silicon core is demonstrated. The annealing process produces a fiber that has a highly crystalline core, whilst reducing the optical transmission losses by ~3 orders of magnitude.

  6. First principles prediction of amorphous phases using evolutionary algorithms

    Science.gov (United States)

    Nahas, Suhas; Gaur, Anshu; Bhowmick, Somnath

    2016-07-01

    We discuss the efficacy of evolutionary method for the purpose of structural analysis of amorphous solids. At present, ab initio molecular dynamics (MD) based melt-quench technique is used and this deterministic approach has proven to be successful to study amorphous materials. We show that a stochastic approach motivated by Darwinian evolution can also be used to simulate amorphous structures. Applying this method, in conjunction with density functional theory based electronic, ionic and cell relaxation, we re-investigate two well known amorphous semiconductors, namely silicon and indium gallium zinc oxide. We find that characteristic structural parameters like average bond length and bond angle are within ˜2% of those reported by ab initio MD calculations and experimental studies.

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

    Institute of Scientific and Technical Information of China (English)

    LIAO NaiMan; LI Wei; KUANG YueJun; JIANG YaDong; LI ShiBin; WU ZhiMing; QI KangCheng

    2009-01-01

    Hydrogenated amorphous silicon (a-Si:H) thin films were deposited by plasma-enhanced vapor depo-sition (PEOVD) 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 scat-tering 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.

  8. Laser spot welding of cobalt-based amorphous metal foils

    International Nuclear Information System (INIS)

    The results concerning weldability of amorphous alloy (VAC 6025F) in shape of foils and the quality of laser-spot welded joints are presented in this paper. The aim of the research was the production of a high quality welding joint, by preserving the amorphous structure. The quality of the joint was tested by shear strength analysis and microhardness measuring. The metallographic studies were made by using optical microscope and SEM. The results show that (1) overlapped Co based amorphous metals foils can be welded with high-quality by a pulsed Nd: YAG-Laser, but only within a very narrow laser parameter window; (2) the laser welded spots show comparably high strength as the basic material; (3) the structure of the welded spot remains amorphous, so that the same characteristics as the base material can be achieved. (author)

  9. Amorphous coatings deposited on aluminum alloy by plasma electrolytic oxidation

    Institute of Scientific and Technical Information of China (English)

    GUAN Yong-jun; XIA Yuan

    2005-01-01

    Amorphous [Al-Si-O] coatings were deposited on aluminum alloy by plasma electrolytic oxidation (PEO). The process parameters, composition, micrograph, and mechanical property of PEO amorphous coatings were investigated. It is found that the growth rate of PEO coatings reaches 4.44 μm/min if the current density is 0.9 mA/mm2. XRD results show that the PEO coatings are amorphous in the current density range of 0.3 - 0.9mA/mm2. EDS results show that the coatings are composed of O, Si and Al elements. SEM results show that the coatings are porous. Nano indentation results show that the hardness of the coatings is about 3 - 4 times of that of the substrate, while the elastic modulus is about the same with the substrate. Furthermore, a formation mechanism of amorphous PEO coatings was proposed.

  10. 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.

  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. PMID:26826438

  12. 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.

  13. Predicting Crystallization of Amorphous Drugs with Terahertz Spectroscopy.

    Science.gov (United States)

    Sibik, Juraj; Löbmann, Korbinian; Rades, Thomas; Zeitler, J Axel

    2015-08-01

    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.

  14. Recombination of atomic oxygen and hydrogen on amorphous carbon

    International Nuclear Information System (INIS)

    Deposit buildup and fuel entrapment due to amorphous carbon are relevant issues in fusion devices with carbon based plasma facing components. Neutral atomic species play a significant role – atomic hydrogen facilitates the formation of amorphous carbon while atomic oxygen could be used to remove carbon deposits. The kinetics of either reaction depends on the density of neutral species, which in turn is influenced by recombination on the vessel walls. In this work, we measured the probability of heterogeneous recombination of atomic hydrogen and oxygen on amorphous carbon deposits. The recombination coefficients were determined by observing density profiles of atomic species in a closed side-arm of a plasma vessel with amorphous carbon deposit-lined walls. Density profiles were measured with fiber optics catalytic probes. The source of atomic species was inductively coupled radiofrequency plasma. The measured recombination coefficient values were of the order of 10−3 for both species

  15. Developments in the Ni-Nb-Zr amorphous alloy membranes. A review

    Energy Technology Data Exchange (ETDEWEB)

    Sarker, S.; Chandra, D. [University of Nevada, Materials Science and Engineering, Reno, NV (United States); Hirscher, M. [Max-Planck-Institut fuer Intelligente Systeme, Stuttgart (Germany); Dolan, M.; Viano, D. [CSIRO, QCAT, Energy, Pullenvale, QLD (Australia); Isheim, D. [Northwestern University, Materials Science and Engineering, Evanston, IL (United States); Wermer, J. [Los Alamos National Laboratory, Los Alamos, NM (United States); Baricco, M. [University of Turin, Department of Chemistry and NIS, Turin (Italy); Udovic, T.J. [National Institute of Standards and Technology, Gaithersburg, MD (United States); Grant, D. [University of Nottingham, Nottingham (United Kingdom); Palumbo, O.; Paolone, A. [CNR-ISC, U.O.S. La Sapienza, Rome (Italy); Cantelli, R. [University of Rome, La Sapienza, Roma (Italy)

    2016-03-15

    Most of the global H{sub 2} production is derived from hydrocarbon-based fuels, and efficient H{sub 2}/CO{sub 2} separation is necessary to deliver a high-purity H{sub 2} product. Hydrogen-selective alloy membranes are emerging as a viable alternative to traditional pressure swing adsorption processes as a means for H{sub 2}/CO{sub 2} separation. These membranes can be formed from a wide range of alloys, and those based on Pd are the closest to commercial deployment. The high cost of Pd (USD ∝31,000 kg{sup -1}) is driving the development of less-expensive alternatives, including inexpensive amorphous (Ni{sub 60}Nb{sub 40}){sub 100-x} Zr{sub x} alloys. Amorphous alloy membranes can be fabricated directly from the molten state into continuous ribbons via melt spinning and depending on the composition can exhibit relatively high hydrogen permeability between 473 and 673 K. Here we review recent developments in these low-cost membrane materials, especially with respect to permeation behavior, electrical transport properties, and understanding of local atomic order. To further understand the nature of these solids, atom probe tomography has been performed, revealing amorphous Nb-rich and Zr-rich clusters embedded in majority Ni matrix whose compositions deviated from the nominal overall composition of the membrane. (orig.)

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

    Directory of Open Access Journals (Sweden)

    Fernando Alvarez-Ramirez

    2011-04-01

    Full Text Available In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties.

  17. Thermoluminescent dosimetry of beta radiations of 90 Sr/ 90 Y using amorphous ZrO2

    International Nuclear Information System (INIS)

    In this work the results of studying the thermoluminescent properties (Tl) of the zirconium oxide in its amorphous state (ZrO2-a) before beta radiations of 90 Sr/ 90 Y are presented. The amorphous powders of the zirconium oxide were synthesized by means of the sol-gel technique. The sol-gel process using alkoxides like precursors, is an efficient method to prepare a matrix of zirconium oxide by hydrolysis - condensation of the precursor to form chains of Zr-H3 and Zr-O2. One of the advantages of this technique is the obtention of gels at low temperatures with very high purity and homogeneity. The powders were characterized by means of thermal analysis and by X-ray diffraction. The powders of ZrO2-a, previously irradiated with beta particles of 90 Sr/90 Y, presented a thermoluminescent curve with two peaks at 150 and 257 C. The dissipation of the information of the one ZrO2-a was of 40% the first 2 hours remaining constant the information for the following 30 days. The reproducibility of the information was of ± 2.5% in standard deviation. The studied characteristics allow to propose to the amorphous zirconium oxide as thermoluminescent dosemeter for the detection of beta radiation. (Author)

  18. Light induced hydrophilicity and osteoblast adhesion promotion on amorphous TiO2.

    Science.gov (United States)

    Terriza, Antonia; Díaz-Cuenca, Aránzazu; Yubero, Francisco; Barranco, Angel; González-Elipe, Agustín R; Gonzalez Caballero, Juan Luis; Vilches, José; Salido, Mercedes

    2013-04-01

    We have studied the effect of the UV induced superhydrophilic wetting of TiO(2) thin films on the osteoblasts cell adhesion and cytoskeletal organization on its surface. To assess any effect of the photo-catalytic removal of adventitious carbon as a factor for the enhancement of the osteoblast development, 100 nm amorphous TiO(2) thin layers were deposited on polyethylene terephthalate (PET), a substrate well known for its poor adhesion and limited wettability and biocompatibility. The TiO(2) /PET materials were characterized by X-ray photoelectron spectroscopy, and atomic force microscopy and their wetting behavior under light illumination studied by the sessile drop method. The amorphous TiO(2) thin films showed a very poor photo-catalytic activity even if becoming superhydrophilic after illumination. The illuminated samples recovered partially its initial hydrophobic state only after their storage in the dark for more than 20 days. Osteoblasts (HOB) were seeded both on bare PET and on TiO(2) /PET samples immediately after illumination and also after four weeks storage in darkness. Cell attachment was much more efficient on the immediately illuminated TiO(2)/PET samples, with development of focal adhesions and cell traction forces. Although we cannot completely discard some photo-catalytic carbon removal as a factor contributing to this cell enhanced attachment, our photodegradation experiments on amorphous TiO(2) are conclusive to dismiss this effect as the major cause for this behavior. PMID:22965473

  19. 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.

  20. Rapid decolorization of Acid Orange Ⅱ aqueous solution by amorphous zero-valent iron

    Institute of Scientific and Technical Information of China (English)

    Changqin Zhang; Zhengwang Zhu; Haifeng Zhang; Zhuangqi Hu

    2012-01-01

    Some problems including low treatment capacity,agglomeration and clogging phenomena,and short working life,limit the application of pre-treatment methods involving zero-valent iron (ZVI).In this article,ZVI was frozen in an amorphous state through a melt-spinning technique,and the decolorization effect of amorphous ZVI on Acid Orange Ⅱ solution was investigated under varied conditions of experimental variables such as reaction temperature,ribbon dosage,and initial pH.Batch experiments suggested that the decolorization rate was enhanced with the increase of reaction temperature and ribbon dosage,but decreased with increasing initial solution pH.Kinetic analyses indicated that the decolorization process followed a first order exponential kinetic model,and the surface-normalized decolorization rate could reach 2.09 L/(m2·min) at room temperature,which was about ten times larger than any previously reported under similar conditions.Recycling experiments also proved that the ribbons could be reused at least four times without obvious decay of decolorization rate and efficiency.This study suggests a tremendous application potential for amorphous ZVI in remediation of groundwater or wastewater contaminated with azo dyes.

  1. Amorphous nanodrugs prepared by complexation with polysaccharides: carrageenan versus dextran sulfate.

    Science.gov (United States)

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

    2015-03-01

    Amorphous nanodrugs prepared by electrostatic complexation of drug molecules with oppositely charged polysaccharides represent a promising bioavailability enhancement strategy for poorly-soluble drugs owed to their high supersaturation generation capability and simple preparation. Using ciprofloxacin (CIP) as the model drug, we investigated the effects of using dextran sulfate (DXT) or carrageenan (CGN) on the (1) preparation efficiency, (2) physical characteristics, (3) supersaturation generation, (4) antimicrobial activity, and (5) cytotoxicity of the amorphous drug-polysaccharide nanoparticle complex (nanoplex) produced. Owing to the higher charge density and chain flexibility of DXT, coupled with the greater hydrophobicity of CGN, the CIP-DXT nanoplex exhibited superior preparation efficiency and larger size than the CIP-CGN nanoplex. Whereas the low solubility and high gelation tendency of CGN resulted in superior supersaturation generation capability for the CIP-DXT nanoplex. The non-cytotoxicity, antimicrobial activity, colloidal, and amorphous state stability were established for both nanoplexes, making them an ideal supersaturated drug delivery system. PMID:25498670

  2. Physics and technology of amorphous-crystalline heterostructure silicon solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sark, Wilfried G.J.H.M. van [Utrecht Univ. (Netherlands). Copernicus Institute, Science Technology and Society; Roca, Francesco [Unita Tecnologie Portici, Napoli (Italy). ENEA - Agenzia Nazionale per le Nuove Tecnologie, l' Energia e lo Sviluppo Economico Sostenibile; Korte, Lars [Helmholtz-Zentrum Berlin fuer Materialien und Energie (Germany). Inst. Silizium-Photovoltaik

    2012-07-01

    The challenge of developing photovoltaic (PV) technology to a cost-competitive alternative for established energy sources can be achieved using simple, high-throughput mass-production compatible processes. Issues to be addressed for large scale PV deployment in large power plants or in building integrated applications are enhancing the performance of solar energy systems by increasing solar cell efficiency, using low amounts of materials which are durable, stable, and abundant on earth, and reducing manufacturing and installation cost. Today's solar cell multi-GW market is dominated by crystalline silicon (c-Si) wafer technology, however new cell concepts are entering the market. One very promising solar cell design to answer these needs is the silicon hetero-junction solar cell, of which the emitter and back surface field are basically produced by a low temperature growth of ultra-thin layers of amorphous silicon. In this design, amorphous silicon (a-Si:H) constitutes both ''emitter'' and ''base-contact/back surface field'' on both sides of a thin crystalline silicon wafer-base (c-Si) where the photogenerated electrons and holes are generated; at the same time, a Si:H passivates the c-Si surface. Recently, cell efficiencies above 23% have been demonstrated for such solar cells. In this book, the editors present an overview of the state-of-the-art in physics and technology of amorphous-crystalline heterostructure silicon solar cells. (orig.)

  3. Low-mobility solar cells: a device physics primer with application to amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Schiff, E.A. [Syracuse University, New York (United States). Department of Physics

    2003-07-01

    The properties of pin solar cells based on photogeneration of charge carriers into low-mobility materials were calculated for two models. Ideal p- and n-type electrode layers were assumed in both cases. The first, elementary case involves only band mobilities and direct electron-hole recombination. An analytical approximation indicates that the power in thick cells rises as the 1/4 power of the lower band mobility, which reflects the buildup of space-charge under illumination. The approximation agrees well with computer simulation. The second model includes exponential bandtail trapping, which is commonly invoked to account for very low hole drift mobilities in amorphous silicon and other amorphous semiconductors. The two models have similar qualitative behavior. Predictions for the solar conversion efficiency of amorphous silicon-based cells that are limited by valence bandtail trapping are presented. The predictions account adequately for the efficiencies of present a-Si : H cells in their 'as-prepared' state (without light-soaking), and indicate the improvement that may be expected if hole drift mobilities (and valence bandtail widths) can be improved. (author)

  4. Thermal conductivity measurement of amorphous dielectric multilayers for phase-change memory power reduction

    Science.gov (United States)

    Fong, S. W.; Sood, A.; Chen, L.; Kumari, N.; Asheghi, M.; Goodson, K. E.; Gibson, G. A.; Wong, H.-S. P.

    2016-07-01

    In this work, we investigate the temperature-dependent thermal conductivities of few nanometer thick alternating stacks of amorphous dielectrics, specifically SiO2/Al2O3 and SiO2/Si3N4. Experiments using steady-state Joule-heating and electrical thermometry, while using a micro-miniature refrigerator over a wide temperature range (100-500 K), show that amorphous thin-film multilayer SiO2/Si3N4 and SiO2/Al2O3 exhibit through-plane room temperature effective thermal conductivities of about 1.14 and 0.48 W/(m × K), respectively. In the case of SiO2/Al2O3, the reduced conductivity is attributed to lowered film density (7.03 → 5.44 × 1028 m-3 for SiO2 and 10.2 → 8.27 × 1028 m-3 for Al2O3) caused by atomic layer deposition of thin-films as well as a small, finite, and repeating thermal boundary resistance (TBR) of 1.5 m2 K/GW between dielectric layers. Molecular dynamics simulations reveal that vibrational mismatch between amorphous oxide layers is small, and that the TBR between layers is largely due to imperfect interfaces. Finally, the impact of using this multilayer dielectric in a dash-type phase-change memory device is studied using finite-element simulations.

  5. Synthesis of Siloxanes Directly from Amorphous Silica

    International Nuclear Information System (INIS)

    A direct synthesis of oligomeric-siloxanes from amorphous silica has been achieved. The compound prepared was caedonal-siloxane. Cardonal is a mono hydroxyphenolic compound with a bulky group in the meta position. It was derived as a by-product from the renewable resources cashew nut shell liquid (CNSL). In the synthesis, one pot synthesis was carried out by using ethylene glycol (EG) as solvent. In the reaction ethylene glycol served as a primary precursor chelating ligand in the synthesised product. The one pot synthesis was enhanced by the strong base, triethylenetetramine (TETA) which served as the promoter catalyst. In the synthesis, optimal conditions were established on the basic of the yield percent of organo-siloxane compounds with respect to the variation of the weight fraction of TETA and to the variation of reaction time. Experimental runs were carried out at (ca 210 2c) which was nearly above the boiling point of the solvent. The substituted organo-silicon compounds obtained were characterized by FT- ir, Thermal analysis, XRD and SEM.

  6. 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.

  7. 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.

  8. Amorphous Silicon: Flexible Backplane and Display Application

    Science.gov (United States)

    Sarma, Kalluri R.

    Advances in the science and technology of hydrogenated amorphous silicon (a-Si:H, also referred to as a-Si) and the associated devices including thin-film transistors (TFT) during the past three decades have had a profound impact on the development and commercialization of major applications such as thin-film solar cells, digital image scanners and X-ray imagers and active matrix liquid crystal displays (AMLCDs). Particularly, during approximately the past 15 years, a-Si TFT-based flat panel AMLCDs have been a huge commercial success. a-Si TFT-LCD has enabled the note book PCs, and is now rapidly replacing the venerable CRT in the desktop monitor and home TV applications. a-Si TFT-LCD is now the dominant technology in use for applications ranging from small displays such as in mobile phones to large displays such as in home TV, as well-specialized applications such as industrial and avionics displays.

  9. GHz-rate optical parametric amplifier in hydrogenated amorphous silicon

    International Nuclear Information System (INIS)

    We demonstrate optical parametric amplification operating at GHz-rates at telecommunications wavelengths using a hydrogenated amorphous silicon waveguide through the nonlinear optical process of four-wave mixing. We investigate how the parametric amplification scales with repetition rate. The ability to achieve amplification at GHz-repetition rates shows hydrogenated amorphous silicon’s potential for telecommunication applications and a GHz-rate optical parametric oscillator. (paper)

  10. Intrinsic graphene field effect transistor on amorphous carbon films

    OpenAIRE

    Tinchev, Savcho

    2013-01-01

    Fabrication of graphene field effect transistor is described which uses an intrinsic graphene on the surface of as deposited hydrogenated amorphous carbon films. Ambipolar characteristic has been demonstrated typical for graphene devices, which changes to unipolar characteristic if the surface graphene was etched in oxygen plasma. Because amorphous carbon films can be growth easily, with unlimited dimensions and no transfer of graphene is necessary, this can open new perspective for graphene ...

  11. 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....

  12. 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.

  13. The Role of Configurational Entropy in Amorphous Systems

    OpenAIRE

    Kirsten A. Graeser; Patterson, James E.; J. Axel Zeitler; Thomas Rades

    2010-01-01

    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 tempe...

  14. Interaction of hydrogenated amorphous silicon films with transparent conductive films

    OpenAIRE

    Kitagawa, M.; Mori, K; Ishihara, S.; Ohno, M.; Hirao, T.; Yoshioka, Y.; Kohiki, S

    1983-01-01

    The effects of the deposition temperature on the interaction of the hydrogenated amorphous silicon films with indium-tin-oxide and tin-oxide films have been investigated in the temperature range 150-300 degrees C, using Auger electron spectroscopy, secondary ion mass spectrometry, and scanning electron microscopy. It was found that the constituent atoms such as indium and tin are detected in the thin amorphous silicon films deposited. Around the interface between the transparent conductive fi...

  15. Experimentally Constrained Molecular Relaxation: The case of hydrogenated amorphous silicon

    OpenAIRE

    Biswas, Parthapratim; Atta-Fynn, Raymond; Drabold, David A.

    2007-01-01

    We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\\it et al}, Phys. Rev. B {\\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-atom model with 7.4 % hydrogen and a 611-atom model with 22 % hydrogen were constructed. Starting from a random configuration, using physically relevant constraints, {\\it ab initio} interactions and the experimental static structure factor, we construct realistic models of hydrogenated amorphous silicon. Our models ...

  16. Electrical properties of pulsed UV laser irradiated amorphous carbon

    OpenAIRE

    Y. Miyajima; Adikaari, AADT; Henley, SJ; Shannon, JM; Silva, SRP

    2008-01-01

    Amorphous carbon films containing no hydrogen were irradiated with a pulsed UV laser in vacuum. Raman spectroscopy indicates an increase in the quantity of sp(2) clustering with the highest laser energy density and a commensurate reduction in resistivity. The reduction of resistivity is explained to be associated with thermally induced graphitization of amorphous carbon films. The high field transport is consistent with a Poole-Frenkel type transport mechanism via neutral trapping centers rel...

  17. 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.

  18. PROCESSING OF SERPENTINITE TAILINGS TO PURE AMORPHOUS SILICA

    OpenAIRE

    Alena Fedorockova; Pavel Raschman; Sucik Gabriel; Plesingerova Beatrice; Popovic Lubos; Briancin Jaroslav

    2015-01-01

    While the published research papers describe preparation of amorphous silica from water glass or using special methods (e.g. hydrolysis of alkoxides), the present study demonstrates a feasible solution for the cheaper synthesis of highly reactive silica using two-stage (acid and alkaline) leaching of serpentinite (Mg3Si2O5(OH)4). The alkaline leaching, the purification of sodium metasilicate solution and the effect of impurities on the precipitation of amorphous silica under the conditions of...

  19. Soft magnetic and microstructural investigation in Fe-based amorphous alloy

    Energy Technology Data Exchange (ETDEWEB)

    Nabiałek, Marcin, E-mail: nmarcell@wp.pl

    2015-09-05

    Highlights: • Samples were obtained using the injection-casting method. • The samples were manufactured in the shape of plates of the thickness 0.5 mm. • The amorphous and nanocrystalline structure was confirmed using XRD, SEM, TEM, CT. • Magnetic properties were analysed in terms of contents of the spin waves stiffness parameter b. - Abstract: In this paper, the results of investigations concerning Fe{sub 61}Co{sub 10}Y{sub 8}W{sub 1}B{sub 20} alloy are presented. The alloy samples were produced, using an injection-casting method, in the form of plates of approximate thickness 0.5 mm. Analysis of the results facilitates the description of structural transformations which occurred within the amorphous material as a result of isothermal annealing, the latter having been carried out under specified conditions. This thermal treatment led to the creation within the amorphous matrix of evenly distributed nanometric sized crystalline grains. The structure and microstructure of the samples in the as-quenched and nanocrystalline states were analysed by means of: X-ray diffractometry (XRD), scanning and transmission electron microscopy (SEM and TEM) and computer tomography (CT). The influence of the structural changes on the magnetic properties was studied using a vibrating sample magnetometer (VSM). Detailed analysis of the microstructure was performed on the ferromagnetic alloy samples with amorphous and nanocrystalline structure; this, in connection with the magnetic studies, facilitated full description of the influence of changes in the microstructure, and imperfections created during the production process, on the magnetic properties.

  20. 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.

  1. Unexpected magnetic behavior in amorphous Co90Sc10 alloy

    International Nuclear Information System (INIS)

    An amorphous alloy Co90Sc10 has been prepared by rapid quenching from the melt. The results of magnetization measurements show that this alloy has the highest Curie temperature reported for any amorphous transition metal based alloys. Furthermore, for a Co based amorphous alloy, the magnetic moment is remarkably high. Moreover, the alloy exhibits soft magnetic properties. Based on the findings, amorphous Co90Sc10 appears to be an attractive candidate for applications as a soft magnetic material. The temperature dependence of the reduced magnetization can be described by the Bloch power law. The results show that the B coefficient of the amorphous Co90Sc10 alloy, which is a measure of the rigidity of spin waves, exhibits the lowest value observed until now for any amorphous alloy and is comparable to crystalline alloys. It is found that the Sc atoms in the Co90Sc10 alloy lead to an increase of the itinerant spin moment of Co atoms, and, in contrast to this behaviour, to a decrease of the local 3d-electrons of Co

  2. Effect of Radiation-Induced Amorphization on Smectite Dissolution

    International Nuclear Information System (INIS)

    Effects of radiation-induced amorphization of smectite were investigated using artificial irradiation. Beams of 925 MeV Xenon ions with radiation dose reaching 73 MGy were used to simulate the effects generated by alpha recoil nuclei or fission products in the context of high level nuclear waste repository. Amorphization was controlled by X-ray diffraction, transmission electron microscopy, and Fourier transform infrared spectroscopy. An important coalescence of the smectite sheets was observed which lead to a loss of interparticle porosity. The amorphization is revealed by a loss of long-range structure and accompanied by dehydroxylation. The dissolution rate far-from-equilibrium shows that the amount of silica in solution is two times larger in the amorphous sample than in the reference clay, a value which may be enhanced by orders of magnitude when considering the relative surface area of the samples. Irradiation-induced amorphization thus facilitates dissolution of the clay-derived material. This has to be taken into account for the safety assessment of high level nuclear waste repository, particularly in a scenario of leakage of the waste package which would deliver alpha emitters able to amorphize smectite after a limited period of time. (authors)

  3. Electron field emission from amorphous semiconductor thin films

    International Nuclear Information System (INIS)

    The flat panel display market requires new and improved technologies in order to keep up with the requirements of modem lifestyles. Electron field emission from thin film amorphous semiconductors is potentially such a technology. For this technology to become viable, improvements in the field emitting properties of these materials must be achieved. To this end, it is important that a better understanding of the emission mechanisms responsible is attained. Amorphous carbon thin films, amorphous silicon thin films and other materials have been deposited, in-house and externally. These materials have been characterised using ellipsometry, profilometry, optical absorption, scanning electron microscopy, atomic force microscopy, electron paramagnetic resonance and Rutherford backscattering spectroscopy. An experimental system for evaluating the electron field emitting performance of thin films has been developed. In the process of developing thin film cathodes in this study, it has been possible to add a new and potentially more useful semiconductor, namely amorphous silicon, to the family of cold cathode emitters. Extensive experimental field emission data from amorphous carbon thin films, amorphous silicon thin films and other materials has been gathered. This data has been used to determine the mechanisms responsible for the observed electron emission. Preliminary computer simulations using appropriate values for the different material properties have exhibited emission mechanisms similar to those identified by experiment. (author)

  4. Unexpected magnetic behavior in amorphous Co90Sc10 alloy

    Science.gov (United States)

    Ghafari, M.; Sakurai, Y.; Peng, G.; Fang, Y. N.; Feng, T.; Hahn, H.; Gleiter, H.; Itou, M.; Kamali, S.

    2015-09-01

    An amorphous alloy Co90Sc10 has been prepared by rapid quenching from the melt. The results of magnetization measurements show that this alloy has the highest Curie temperature reported for any amorphous transition metal based alloys. Furthermore, for a Co based amorphous alloy, the magnetic moment is remarkably high. Moreover, the alloy exhibits soft magnetic properties. Based on the findings, amorphous Co90Sc10 appears to be an attractive candidate for applications as a soft magnetic material. The temperature dependence of the reduced magnetization can be described by the Bloch power law. The results show that the B coefficient of the amorphous Co90Sc10 alloy, which is a measure of the rigidity of spin waves, exhibits the lowest value observed until now for any amorphous alloy and is comparable to crystalline alloys. It is found that the Sc atoms in the Co90Sc10 alloy lead to an increase of the itinerant spin moment of Co atoms, and, in contrast to this behaviour, to a decrease of the local 3d-electrons of Co.

  5. 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

  6. {sup 57}Fe Moessbauer studies of Fe-Si based amorphous ferromagnetic ribbons and thin films

    Energy Technology Data Exchange (ETDEWEB)

    Aghamohammadzadeh, H

    1998-04-01

    {sup 57}Fe Moessbauer Spectroscopy has been used to study the mean magnetic moment direction and the distribution of moment directions in ribbon and thin film of amorphous ferromagnets known as Metglass and Finemet. We have studied them in As Received (AR) and Stress Relieved (SR) or Heat Treated (HT) states. These samples are excellent 'soft magnetic materials' with low coercivity of 8 A/m and 0.5 A/m respectively. Annealing has different effects on these samples. Although following annealing coercivity decreases for both Metglass and Finemet samples, in the Finemet it creates a second phase of DO{sub 3} structure which is a nanocrystallite. Our analysis also shows that in the Heat Treated Finemet ribbon 34 % (vol.) of the sample is amorphous and 64 % (vol.) nanocrystalline. In the HT Finemet there are seven different iron sites of which 6 sites belong to the crystalline phase and one site to the amorphous phase. We have studied the distribution of the hyperfine fields, which cause broadening of the spectral lines in the amorphous state. Each iron site has a different environment which is in turn the reason for the field distribution.Our results show that following annealing the mean magnetic field decreases from about 211 kOe in the AR Finemet to 165 kOe in the amorphous phase of the heat treated Finemet which means in this phase there is a depletion in the iron atoms. The spectra were recorded for a range of inclinations between the {gamma}-rays and the normal to the sample plane. Different phenomenological models have been used to investigate the moment direction distribution (anisotropy) in our sample. The results show that in both Metglass and Finemet samples annealing decreases the in-plane anisotropy substantially but not the out-of-plane anisotropy. We also show that the properties of Metglass thin film are quite different from its ribbon sample. Low temperature studies of the Metglass Ribbon sample allow us to investigate the temperature

  7. 57Fe Moessbauer studies of Fe-Si based amorphous ferromagnetic ribbons and thin films

    International Nuclear Information System (INIS)

    57Fe Moessbauer Spectroscopy has been used to study the mean magnetic moment direction and the distribution of moment directions in ribbon and thin film of amorphous ferromagnets known as Metglass and Finemet. We have studied them in As Received (AR) and Stress Relieved (SR) or Heat Treated (HT) states. These samples are excellent 'soft magnetic materials' with low coercivity of 8 A/m and 0.5 A/m respectively. Annealing has different effects on these samples. Although following annealing coercivity decreases for both Metglass and Finemet samples, in the Finemet it creates a second phase of DO3 structure which is a nanocrystallite. Our analysis also shows that in the Heat Treated Finemet ribbon 34 % (vol.) of the sample is amorphous and 64 % (vol.) nanocrystalline. In the HT Finemet there are seven different iron sites of which 6 sites belong to the crystalline phase and one site to the amorphous phase. We have studied the distribution of the hyperfine fields, which cause broadening of the spectral lines in the amorphous state. Each iron site has a different environment which is in turn the reason for the field distribution. Our results show that following annealing the mean magnetic field decreases from about 211 kOe in the AR Finemet to 165 kOe in the amorphous phase of the heat treated Finemet which means in this phase there is a depletion in the iron atoms. The spectra were recorded for a range of inclinations between the γ-rays and the normal to the sample plane. Different phenomenological models have been used to investigate the moment direction distribution (anisotropy) in our sample. The results show that in both Metglass and Finemet samples annealing decreases the in-plane anisotropy substantially but not the out-of-plane anisotropy. We also show that the properties of Metglass thin film are quite different from its ribbon sample. Low temperature studies of the Metglass Ribbon sample allow us to investigate the temperature dependence of the moment

  8. Nano structures of amorphous silicon: localization and energy gap

    Directory of Open Access Journals (Sweden)

    Z Nourbakhsh

    2013-10-01

    Full Text Available Renewable energy research has created a push for new materials; one of the most attractive material in this field is quantum confined hybrid silicon nano-structures (nc-Si:H embedded in hydrogenated amorphous silicon (a-Si:H. The essential step for this investigation is studying a-Si and its ability to produce quantum confinement (QC in nc-Si: H. Increasing the gap of a-Si system causes solar cell efficiency to increase. By computational calculations based on Density Functional Theory (DFT, we calculated a special localization factor, [G Allan et al., Phys. Rev. B 57 (1997 6933.], for the states close to HOMO and LUMO in a-Si, and found most weak-bond Si atoms. By removing these silicon atoms and passivating the system with hydrogen, we were able to increase the gap in the a-Si system. As more than 8% hydrogenate was not experimentally available, we removed about 2% of the most localized Si atoms in the almost tetrahedral a-Si system. After removing localized Si atoms in the system with 1000 Si atoms, and adding 8% H, the gap increased about 0.24 eV. Variation of the gap as a function of hydrogen percentage was in good agreement with the Tight –Binding results, but about 2 times more than its experimental value. This might come from the fact that in the experimental conditions, it does not have the chance to remove the most localized states. However, by improving the experimental conditions and technology, this value can be improved.

  9. 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

    The amorphous-to-crystalline transformation of nitrendipine was investigated using Raman spectroscopy and X-ray powder diffraction (XRPD). The nucleation and growth rate of crystalline nitrendipine in a medium containing poly (vinyl alcohol) (PVA) and polyethylene glycol (PEG 200) were quantitati......The amorphous-to-crystalline transformation of nitrendipine was investigated using Raman spectroscopy and X-ray powder diffraction (XRPD). The nucleation and growth rate of crystalline nitrendipine in a medium containing poly (vinyl alcohol) (PVA) and polyethylene glycol (PEG 200) were...... precipitate acting as a reservoir for maintaining the supersaturation. The rates of nucleation and crystal growth of nitrendipine decreased with an increase in PEG 200 concentration in organic phase from 0% to 75% (v/v). Increasing the PVA concentration in water phase from 0.1% to 1.0% (w/w) also decreased...... the rates of nucleation and crystal growth, however, an increase in PVA concentration from 1.0% to 2.0% (w/w) did not result in a further decrease in the rates of nucleation and crystal growth. An increase in drug concentrations in the organic phase from 10 mg/ml to 30 mg/ml led to faster nucleation rates...

  10. Cation Loss of BaCa 0.393Nb 0.606O 2.91 in Aqueous Media: Amorphization at Room Temperature

    Science.gov (United States)

    Schober, T.; Szot, K.; Barton, M.; Kessler, B.; Breuer, U.; Penkalla, H. J.; Speier, W.

    2000-02-01

    The complex perovskite BaCa(1+x)/3Nb(2-x)/3O3-x/2 (here x=0.18), also referred to as BCN18, is a widely studied high-temperature proton conductor which has O-vacancies in the dry state accommodating highly mobile protonic defects in the wet state. Experimental evidence is given that BCN18 exposed to a very dilute acid (here HCl), or even hot water, undergoes a remarkable reaction to an amorphous state within a surface layer. The thickness of this layer ranges from tens of nm to several μm depending on exposure time. The amorphous layer is studied with TEM, XRD, XPS, SNMS, TRFA, and AFM. It is concluded that Ba and Ca are almost completely leached out of the surface layer. Protons penetrate into the solid, forming an intermediate, unstable solid acid, rich in Nb and O. The latter eventually collapses into an amorphous phase of Nb, O, and some water. A prerequisite of the above scheme inferred from the kinetics of the process is the presence of planar defects or channels of amorphous character in the initial BCN18 structure that allow rapid diffusion of Ba, Ca, and H. The present model assumes a block arrangement for the initial BCN18 with perfect perovskite structure inside the blocks, separated by thin amorphous slabs.

  11. Amorphous Semiconductors Characteristics and Their Modern Application

    International Nuclear Information System (INIS)

    Chalcogenide glasses are a recognized group of inorganic glassy materials which always contain one or more of the chalcogenide elements S, Se or Te but not O, in conjunction with more electro positive elements as As, Sb, etc. Chalcogenide glasses are generally less robust, more weakly bonded materials than oxide glasses. Glasses were prepared from Sb, Se, Bi and In elements with purity 99.999%. These glasses are reactive at high temperature with oxygen. Therefore, synthesis was accomplished in evacuated clean silica tubes. The tubes were washed by distilled water, and then dried in a furnace whose temperature was about 100 degree C . The weighted materials were introduced into the cleaned silica tubes and then evacuated to about 10-4 torr and sealed. The sealed tubes were placed inside the furnace and the temperature of the furnace was raised gradually up to 90 C within 1 hour and kept constant for 10 hours. Moreover, shaking of the constituent materials inside the tube in the furnace was necessary for realizing the homogeneity of the composition. After synthesis, the tube was quenched into ice water. The glassy ingots could be obtained by drastic quenching. Then materials were removed from the tubes and kept in dry atmosphere. The proper ingot was confirmed to be completely amorphous using x-ray diffraction and differential thermal analysis. Thin films of the selected compositions were prepared by thermal evaporation technique under vacuum 10-4 torr with constant thickness 100 nm. The effect of radiation, optical and some other effects on composition were studied.

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

    OpenAIRE

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

    2006-01-01

    We present a study of changes in the defect density of states in hydrogenated amorphous silicon (a-Si:H) due to high-energy electron irradiation using charged deep-level transient spectroscopy. It was found that defect states near the conduction band were removed, while in other band gap regions the defect-state density increased. A similar trend is observed for a-Si:H which has been subjected to light soaking, but in that case the majority of defect states are created around midgap, whereas ...

  13. Quantitative measurements of shrinkage and cracking during freeze-drying of amorphous cakes

    OpenAIRE

    Ullrich, Sabine

    2014-01-01

    In this thesis the influence of the formulation or the process on shrinkage and cracking was studied. Methods were developed to quantify the amount of both at the end of the lyophilization process (“endpoint evaluation method”) as well as in situ during drying (”kinetic method”). The endpoint evaluation method was used to investigate an apparent correlation between the content of non-frozen water in the maximum freeze-concentrated state, w ′ , of an amorphous cake and shrinkage. Model disacch...

  14. Analytical drain current model for amorphous IGZO thin-film transistors in abovethreshold regime

    Institute of Scientific and Technical Information of China (English)

    He Hongyu; Zheng Xueren

    2011-01-01

    An analytical drain current model is presented for amorphous In-Ga-Zn-oxide thin-film transistors in the above-threshold regime,assuming an exponential trap states density within the bandgap.Using a charge sheet approximation,the trapped and free charge expressions are calculated,then the surface potential based drain current expression is developed.Moreover,threshold voltage based drain current expressions are presented using the Taylor expansion to the surface potential based drain current expression.The calculated results of the surface potential based and threshold voltage based drain current expressions are compared with experimental data and good agreements are achieved.

  15. Structural and Dynamic Properties of Amorphous Silicon:Tight-Binding Molecular Dynamics Simulation

    Institute of Scientific and Technical Information of China (English)

    HUANG Shi-Ping; WANG Wen-Chuan

    2004-01-01

    @@ The tight-binding molecular dynamics simulation has been performed to study structural and dynamical properties of amorphous silicon. It is found that the radial distribution function and static structure factor are in good agreement with the experimental measurements. The bond order parameters Ql are sensitive to the structure change at different quenching rates. For the dynamical properties, we have calculated the vibration and electronic density of states. The simulation results show that the transverse acoustic is in good agreement with the experimental data, and the high frequency transverse optical (TO) peak shifts to the right of the experimental TO peak.

  16. The influence of confinements on the photon flux spectra in amorphous silicon quantum dots

    OpenAIRE

    ABDULRIDA, Moafak Cadim; and, Nidhal Moosa ABDUL-AMEER

    2012-01-01

    We have theoretically calculated the photon flux of radiative recombination in amorphous silicon quantum dots (a-SiQDs) at room temperature. These quantum dots have been ranged in their diameter 1 to 4 nm. The convolution of probability density function of deepest energy states of conduction PC(E) and valence PV(E) bands within the capture volume was adopted. The behavior of this function can be classified into four regions according to the quantum dot size. The effect of spatial an...

  17. Molecular-dynamics simulation of shock-stress-induced amorphization of α-quartz

    Science.gov (United States)

    Chaplot, S. L.; Sikka, S. K.

    2000-05-01

    The molecular-dynamics technique is used to investigate the shock propagation in α-quartz using a very long periodic macrocell, and semiempirical long-range Coulomb and short-range interatomic potentials. The equation of state and the phase transformation pressure are in good agreement with published experimental data. The transformed phase is identified to be amorphous, and not as stishovite, and is retained on release of the shock pressure. The Raman A1 phonon frequency is also simulated successfully which is known to show a significantly different variation with static and shock pressures.

  18. Analytical drain current model for amorphous IGZO thin-film transistors in above-threshold regime

    International Nuclear Information System (INIS)

    An analytical drain current model is presented for amorphous In-Ga-Zn-oxide thin-film transistors in the above-threshold regime, assuming an exponential trap states density within the bandgap. Using a charge sheet approximation, the trapped and free charge expressions are calculated, then the surface potential based drain current expression is developed. Moreover, threshold voltage based drain current expressions are presented using the Taylor expansion to the surface potential based drain current expression. The calculated results of the surface potential based and threshold voltage based drain current expressions are compared with experimental data and good agreements are achieved. (semiconductor devices)

  19. ATOM PROBE FIM STUDY OF AN AMORPHOUS Pd-Si ALLOY

    OpenAIRE

    Yamamoto, M.; Yao, H; Nenno, S.; Ohnaka, I.; Fukusako, T.

    1987-01-01

    The amorphous structure of Pd84Si16 alloy wire obtained by inrotating-liquid spinning method from the liquid state, has been studied, in an atomic scale, by atom-probe field-ion microscopy. In the as-solidified specimen of Pd84Si16 alloy, whose electron diffraction pattern shows single halo ring, compositional fluctuation is found to exist in the range of 8 to 24 at% Si. The fluctuation is of the period of a few tenth nanometer, and it does not have long-range periodicity. We have discussed t...

  20. 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...

  1. Atomic pairwise distribution function analysis of the amorphous phase prepared by different manufacturing routes

    DEFF Research Database (Denmark)

    Boetker, Johan P.; Koradia, Vishal; Rades, Thomas;

    2012-01-01

    Amlodipine besilate, a calcium channel antagonist, exists in several solid forms. Processing of anhydrate and dihydrate forms of this drug may lead to solid state changes, and is therefore the focus of this study. Milling was performed for the anhydrate form, whereas the dihydrate form was...... (PDF) analysis of the XRPD pattern. When compared to XRPD and Raman spectroscopy, the PDF analysis was superior in displaying the difference between the amorphous samples prepared by milling and quench cooling approaches of the two starting materials....

  2. STUDY ON THE SHOCK WAVE CRYSTALLIZATION OF AMORPHOUS ALLOYS BY DSC

    Institute of Scientific and Technical Information of China (English)

    H.Y. Zhao; H. Wang; Q.J. Liu; J.D. Kan; Z.Q. Liu

    2002-01-01

    Shock wave and annealing crystallization of amorphous alloys FeSiB, FeMoSiB andFeCuNbSiB were studied by isothermal and non-isothermal DSC technique. It wasfound that the shock wave crystallization is very perfect, the fraction crystallized isvery close to 100%, though the period of crystallization is very short, only about10-4-10-6 s. Their produced phases differ from the parent phase in structure andcomposition. The high velocity of the transformation is very difficult to explain by thediffusion theory of solid state phase transition.

  3. Novel photochemical vapor deposition reactor for amorphous silicon solar cell deposition

    Science.gov (United States)

    Rocheleau, Richard E.; Hegedus, Steven S.; Buchanan, Wayne A.; Jackson, Scott C.

    1987-07-01

    A novel photochemical vapor deposition (photo-CVD) reactor having a flexible ultraviolet-transparent Teflon curtain and a secondary gas flow to eliminate deposition on the window has been used to deposit amorphous silicon films and p-i-n solar cells. The background levels of atmospheric contaminants (H2O, CO2, N2) depend strongly on the vacuum procedures but not on the presence of a Teflon curtain in the reactor. Intrinsic films with a midgap density of states of 3×1015 eV-1 cm-3 and all-photo-CVD pin solar cells with efficiencies of 8.5% have been deposited.

  4. Structural relaxation and rheological response of a driven amorphous system.

    Science.gov (United States)

    Varnik, F

    2006-10-28

    The interplay between the structural relaxation and the rheological response of a simple amorphous system {a 80:20 binary Lennard-Jones mixture [W. Kob and H. C. Andersen, Phys. Rev. Lett. 73, 1376 (1994)]} is studied via molecular dynamics simulations. In the quiescent state, the model is well known for its sluggish dynamics and a two step relaxation of correlation functions at low temperatures. An ideal glass transition temperature of Tc=0.435 has been identified in the previous studies via the analysis of the system's dynamics in the framework of the mode coupling theory of the glass transition [W. Kob and H. C. Andersen, Phys. Rev. E 51, 4626 (1995)]. In the present work, we focus on the question whether a signature of this ideal glass transition can also be found in the case where the system's dynamics is driven by a shear motion. Indeed, the following distinction in the structural relaxation is found: In the supercooled state, the structural relaxation is dominated by the shear at relatively high shear rates gamma, whereas at sufficiently low gamma the (shear-independent) equilibrium relaxation is recovered. In contrast to this, the structural relaxation of a glass is always driven by shear. This distinct behavior of the correlation functions is also reflected in the rheological response. In the supercooled state, the shear viscosity eta decreases with increasing shear rate (shear thinning) at high shear rates, but then converges toward a constant as the gamma is decreased below a (temperature-dependent) threshold value. Below Tc, on the other hand, the shear viscosity grows as eta proportional, etax 1/gamma, suggesting a divergence at gamma=0. Thus, within the accessible observation time window, a transition toward a nonergodic state seems to occur in the driven glass as the driving force approaches zero. As to the flow curves (stress versus shear rate), a plateau forms at low shear rates in the glassy phase. A consequence of this stress plateau for

  5. Determination of photocatalytic activity in amorphous and crystalline titanium oxide films prepared using plasma-enhanced chemical vapor deposition

    Science.gov (United States)

    Wu, Cheng-Yang; Chiang, Bo-Sheng; Chang, Springfield; Liu, Day-Shan

    2011-01-01

    Hydro-oxygenated amorphous titanium oxide (a-TiO x:OH) films were prepared by plasma-enhanced chemical vapor deposition (PECVD) using precursors of titanium tetraisopropoxide (TTIP) and oxygen. The influences of chemical states and crystal quality on the photocatalytic activity were systematically investigated in the as-deposited and post-annealed films. The degree of the photocatalytic activity was deeply correlated with the porosity related to the hydroxyl (OH) groups in the as-deposited amorphous film. The crystallized anatase structures was observed from the 200 °C-deposited a-TiO x:OH film after a post-annealing treatment at 400 °C. The photocatalytic activity related to the film with anatase structure was markedly superior to that of an amorphous film with porous structures. The larger the crystal size of the anatase structure, the higher the photocatalytic activity obtained. At elevated annealed temperatures, the inferior anatase structure due to the crystalline transformation led to a low photocatalytic activity. It was concluded that the photocatalytic activity of an amorphous TiO x film prepared using PECVD was determined by the porosity originating from the functional OH groups in the film, whereas the crystalline quality of anatase phase in the annealed poly-TiO x film was crucial to the photocatalytic activity.

  6. Direct measurement of free-energy barrier to nucleation of crystallites in amorphous silicon thin films

    Science.gov (United States)

    Shi, Frank G.

    1994-01-01

    A method is introduced to measure the free-energy barrier W(sup *), the activation energy, and activation entropy to nucleation of crystallites in amorphous solids, independent of the energy barrier to growth. The method allows one to determine the temperature dependence of W(sup *), and the effect of the preparation conditions of the initial amorphous phase, the dopants, and the crystallization methds on W(sup *). The method is applied to determine the free-energy barrier to nucleation of crystallites in amorphous silicon (a-Si) thin films. For thermally induced nucleation in a-Si thin films with annealing temperatures in the range of from 824 to 983 K, the free-energy barrier W(sup *) to nucleation of silicon crystals is about 2.0 - 2.1 eV regardless of the preparation conditions of the films. The observation supports the idea that a-Si transforms into an intermediate amorphous state through the structural relaxation prior to the onset of nucleation of crystallites in a-Si. The observation also indicates that the activation entropy may be an insignificant part of the free-energy barrier for the nucleation of crystallites in a-Si. Compared with the free-energy barrier to nucleation of crystallites in undoped a-Si films, a significant reduction is observed in the free-energy barrier to nucleation in Cu-doped a-Si films. For a-Si under irradiation of Xe(2+) at 10(exp 5) eV, the free-energy barrier to ion-induced nucleation of crystallites is shown to be about half of the value associated with thermal-induced nucleation of crystallites in a-Si under the otherwise same conditions, which is much more significant than previously expected. The present method has a general kinetic basis; it thus should be equally applicable to nucleation of crystallites in any amorphous elemental semiconductors and semiconductor alloys, metallic and polymeric glasses, and to nucleation of crystallites in melts and solutions.

  7. 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

  8. Amorphous and crystalline blast furnace slag

    International Nuclear Information System (INIS)

    Full text: One of the by-products of iron production from a blast furnace is the slag, Generally 250-300 kg of slag is produced per ton of iron. Liquid blast furnace slag can either be cooled quickly by quenching in a granulator or more slowly in air. The air-cooled product is crushed and sized for use as an aggregate in concrete. The granulated slag is ground to form ground granulated slag, which is a cost-effective supplementary cementitious material. Blends of ground granulated slag and Portland cement produce a cementitious paste that is more resistant to chloride penetration than pastes made from the Portland cement alone. In this study neutron diffraction techniques were used to examine samples of air-cooled and granulated slags from Australian Steel Mill Services stock piles at Port Kembla. Sourced from the same blast furnace, the materials should be expected to posses similar elemental chemistry. The mineral compositions would be different due to the rate of cooling each slag was subjected to. Samples, 15 grams in mass, were mounted in a vanadium can and diffraction patterns were measured using the SLAD instrument on the Reactor R-2 at the Studvik Neutron Research Laboratory in Sweden. The diffraction patterns were transformed into radial distribution functions using the reverse Monte Carlo program, MCGR. The granulated slag showed no diffraction peaks while the air cooled slag showed a crystalline product that can be identified by x-ray diffraction. The radial distribution functions showed differences that were consistent with the granulated slag being amorphous and the air-cooled slag crystalline. Both slag samples showed peaks in the radial distribution function at 1.8 Angstroms and 2.8 Angstroms. The greatest anomaly was a feature about 2.5 Angstroms found only in the radial distribution function for the granulated slag. This demonstration showed that there are differences in the short range bonding between the two compounds. We are currently

  9. Amorphous iron–chromium oxide nanoparticles with long-term stability

    Energy Technology Data Exchange (ETDEWEB)

    Iacob, Mihail [“Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487 (Romania); Institute of Chemistry of ASM, Academiei str. 3, Chisinau 2028, Republic of Moldova (Moldova, Republic of); Cazacu, Maria, E-mail: mcazacu@icmpp.ro [“Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487 (Romania); Turta, Constantin [Institute of Chemistry of ASM, Academiei str. 3, Chisinau 2028, Republic of Moldova (Moldova, Republic of); Doroftei, Florica [“Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487 (Romania); Botko, Martin; Čižmár, Erik; Zeleňáková, Adriana; Feher, Alexander [Institute of Physics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, SK-04154 Košice (Slovakia)

    2015-05-15

    Highlights: • Fe–Cr oxide nanoparticles with pre-established metals ratio were obtained. • The amorphous state and its long-term stability were highlighted by X-ray diffraction. • The average diameter of dried nanoparticles was 3.5 nm, as was estimated by TEM, AFM. • In hexane dispersion, nanoparticles with diameter in the range 2.33–4.85 nm were found. • Superparamagnetic state of NPs co-exists with diamagnetism of the organic layer. - Abstract: Iron–chromium nanoparticles (NPs) were obtained through the thermal decomposition of μ{sub 3}-oxo heterotrinuclear (FeCr{sub 2}O) acetate in the presence of sunflower oil and dodecylamine (DA) as surfactants. The average diameter of the NPs was 3.5 nm, as estimated on the basis of transmission electron microscopy and atomic force microscopy images. Both techniques revealed the formation of roughly approximated spheres with some irregularities and agglomerations in larger spherical assemblies of 50–100 nm. In hexane, NPs with diameters in the 2.33–4.85 nm range are individually dispersed, as emphasized by dynamic light scattering measurements. The amorphous nature of the product was emphasized by X-ray powder diffraction. The study of the magnetic properties shows the presence of superparamagnetic state of iron–chromium oxide NPs and the diamagnetic contribution from DA layer forming a shell of NPs.

  10. Effect of solid-phase amorphization on the spectral characteristics of europium-doped gadolinium molybdate

    Science.gov (United States)

    Shmurak, S. Z.; Kiselev, A. P.; Kurmasheva, D. M.; Red'Kin, B. S.; Sinitsyn, V. V.

    2010-05-01

    A method is proposed for detecting spectral characteristics of optically inactive molybdates of rare-earth elements by their doping with rare-earth ions whose luminescence lies in the transparency region of all structural modifications of the sample. Gadolinium molybdate is chosen as the object of investigations, while europium ions are used as an optically active and structurally sensitive admixture. It is shown that after the action of a high pressure under which gadolinium molybdate passes to the amorphous state, the spectral characteristics of Gd1.99Eu0.01(MoO4)3 (GMO:Eu) change radically; namely, considerable line broadening is observed in the luminescence spectra and the luminescence excitation spectra, while the long-wave threshold of optical absorption is shifted considerably (by approximately 1.1 eV) towards lower energies. It is found that by changing the structural state of GMO:Eu by solid-state amorphization followed by annealing, the spectral characteristics of the sample can be purposefully changed. This is extremely important for solving the urgent problem of designing high-efficiency light-emitting diodes producing “white” light.

  11. Effect of solid-phase amorphization on the spectral characteristics of europium-doped gadolinium molybdate

    International Nuclear Information System (INIS)

    A method is proposed for detecting spectral characteristics of optically inactive molybdates of rare-earth elements by their doping with rare-earth ions whose luminescence lies in the transparency region of all structural modifications of the sample. Gadolinium molybdate is chosen as the object of investigations, while europium ions are used as an optically active and structurally sensitive admixture. It is shown that after the action of a high pressure under which gadolinium molybdate passes to the amorphous state, the spectral characteristics of Gd1.99Eu0.01(MoO4)3 (GMO:Eu) change radically; namely, considerable line broadening is observed in the luminescence spectra and the luminescence excitation spectra, while the long-wave threshold of optical absorption is shifted considerably (by approximately 1.1 eV) towards lower energies. It is found that by changing the structural state of GMO:Eu by solid-state amorphization followed by annealing, the spectral characteristics of the sample can be purposefully changed. This is extremely important for solving the urgent problem of designing high-efficiency light-emitting diodes producing 'white' light.

  12. Impact of defect occupation on conduction in amorphous Ge2Sb2Te5

    Science.gov (United States)

    Kaes, Matthias; Salinga, Martin

    2016-08-01

    Storage concepts employing the resistance of phase-change memory (PRAM) have matured in recent years. Attempts to model the conduction in the amorphous state of phase-change materials dominating the resistance of PRAM devices commonly invoke a connection to the electronic density-of-states (DoS) of the active material in form of a “distance between trap states s”. Here, we point out that s depends on the occupation of defects and hence on temperature. To verify this, we numerically study how the occupation in the DoS of Ge2Sb2Te5 is affected by changes of temperature and illumination. Employing a charge-transport model based on the Poole-Frenkel effect, we correlate these changes to the field- and temperature-dependent current-voltage characteristics of lateral devices of amorphous Ge2Sb2Te5, measured in darkness and under illumination. In agreement with our calculations, we find a pronounced temperature-dependence of s. As the device-current depends exponentially on the value of s, accounting for its temperature-dependence has profound impact on device modeling.

  13. Building solids inside nano-space: from confined amorphous through confined solvate to confined 'metastable' polymorph.

    Science.gov (United States)

    Nartowski, K P; Tedder, J; Braun, D E; Fábián, L; Khimyak, Y Z

    2015-10-14

    The nanocrystallisation of complex molecules inside mesoporous hosts and control over the resulting structure is a significant challenge. To date the largest organic molecule crystallised inside the nano-pores is a known pharmaceutical intermediate - ROY (259.3 g mol(-1)). In this work we demonstrate smart manipulation of the phase of a larger confined pharmaceutical - indomethacin (IMC, 357.8 g mol(-1)), a substance with known conformational flexibility and complex polymorphic behaviour. We show the detailed structural analysis and the control of solid state transformations of encapsulated molecules inside the pores of mesoscopic cellular foam (MCF, pore size ca. 29 nm) and controlled pore glass (CPG, pore size ca. 55 nm). Starting from confined amorphous IMC we drive crystallisation into a confined methanol solvate, which upon vacuum drying leads to the stabilised rare form V of IMC inside the MCF host. In contrast to the pure form, encapsulated form V does not transform into a more stable polymorph upon heating. The size of the constraining pores and the drug concentration within the pores determine whether the amorphous state of the drug is stabilised or it recrystallises into confined nanocrystals. The work presents, in a critical manner, an application of complementary techniques (DSC, PXRD, solid-state NMR, N2 adsorption) to confirm unambiguously the phase transitions under confinement and offers a comprehensive strategy towards the formation and control of nano-crystalline encapsulated organic solids. PMID:26280634

  14. Amorphous and Nanocomposite Materials for Energy-Efficient Electric Motors

    Science.gov (United States)

    Silveyra, Josefina M.; Xu, Patricia; Keylin, Vladimir; DeGeorge, Vincent; Leary, Alex; McHenry, Michael E.

    2016-01-01

    We explore amorphous soft-magnetic alloys as candidates for electric motor applications. The Co-rich system combines the benefits of low hysteretic and eddy-current losses while exhibiting negligible magnetostriction and robust mechanical properties. The amorphous precursors can be devitrified to form nanocomposite magnets. The superior characteristics of these materials offer the advantages of ease of handling in the manufacturing processing and low iron losses during motor operation. Co-rich amorphous ribbons were laser-cut to build a stator for a small demonstrator permanent-magnet machine. The motor was tested up to ~30,000 rpm. Finite-element analyses proved that the iron losses of the Co-rich amorphous stator were ~80% smaller than for a Si steel stator in the same motor, at 18,000 rpm (equivalent to an electric frequency of 2.1 kHz). These low-loss soft magnets have great potential for application in highly efficient high-speed electric machines, leading to size reduction as well as reduction or replacement of rare earths in permanent-magnet motors. More studies evaluating further processing techniques for amorphous and nanocomposite materials are needed.

  15. 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.

  16. Stability of electrodeposited amorphous Ni-Fe-P alloys

    Institute of Scientific and Technical Information of China (English)

    GAO Cheng-hui

    2006-01-01

    The stability of the electrodeposited amorphous Ni-Fe-P alloys was studied by DTA, DSC, XRD and improved four-ball wear tester in order to clear its applied scope. The results show that the element content has influence on the stability of amorphous Ni-Fe-P alloy, in which the crystallization temperature increases with Fe content, and the increase of P content delays the appearance of stable crystallization phases and recrystallization. There exist 6 exothermal reactions during heating the amorphous Ni69Fe8P23alloy continuously. The activation energies of exothermal reactions at 248, 303,322, 350, 376 and 442 ℃ are 131.5, 111.6, 237.8,253.6 and 238.5 kJ/mol, respectively. The amorphous Ni60Fe22P18 alloy crystallizes when the heating temperature is beyond 250 ℃.The stable crystallization phases consist ofNi (Fe) and Ni3P-type compounds Ni3P, Fe3P, (Fe,Ni)3P. The pressure and fraction have influence on the stability of amorphous alloy. Rubbing above the critical pressure crystallization will take place on the fractional surface. The crystallization phases due to pressure and fraction are different from those due to heating. It is the crystallization that increases the wear resistance of Ni-Fe-P coating under higher pressure.

  17. Development of amorphous wire type MI sensors for automobile use

    International Nuclear Information System (INIS)

    Amorphous wire type MI sensors have a high sensitivity compared to thin film MI sensors, but there have been reliability problems in developing an amorphous wire type MI sensor for automobile application because of the wide range of operating temperatures. It was difficult to achieve sufficient soldering strength between the amorphous wire and the electrode of the MI chip. In addition, stress is induced in the amorphous wire during soldering thus lowering the temperature stability characteristics. Therefore, we developed a new method for soldering the amorphous wire and a new method for assembly of the MI chip. Together with the redesign of the electronic circuit, these developments have yielded an MI sensor suitable for automobile application. This MI sensor has a sensitivity of 250 mV/Oe, has stable temperature characteristics between -40 deg. C and 85 deg. C and easily passed the thermal shock test, the most stringent durability test for automobile electronic parts. Two different types of products are under development; one is a standard type whose output is linear to the external magnetic field, and the other is a switch type whose output is ON or OFF relative to a threshold magnetic field. Future applications include an ABS sensor, an electronic compass, an automatic tracking system for automobiles and so on

  18. 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.

  19. 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.

  20. 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.

  1. Strong Metal-Support Interaction: Growth of Individual Carbon Nanofibers from Amorphous Carbon Interacting with an Electron Beam

    DEFF Research Database (Denmark)

    Zhang, Wei; Kuhn, Luise Theil

    2013-01-01

    The article discusses the growth behavior of carbon nanofibers (CNFs). It mentions that CNFs can be synthesized using methods such as arc-discharge, laser ablation and chemical vapor deposition. It further states that CNFs can be grown from a physical mixing of amorphous carbon and CGO/Ni nanopar......The article discusses the growth behavior of carbon nanofibers (CNFs). It mentions that CNFs can be synthesized using methods such as arc-discharge, laser ablation and chemical vapor deposition. It further states that CNFs can be grown from a physical mixing of amorphous carbon and CGO....../Ni nanoparticles, devoid of any gaseous carbon source and external heating and stimulated by an electron beam in a 300 kilo volt transmission electron microscope....

  2. Superconductivity and unusual magnetic behavior in amorphous carbon

    Science.gov (United States)

    Felner, Israel

    2014-03-01

    Traces of superconductivity (SC) at elevated temperatures (up to 65 K) were observed by magnetic measurements in three different inhomogeneous sulfur doped amorphous carbon (a-C) systems: (a) in commercial and (b) synthesized powders and (c) in a-C thin films. (a) Studies performed on a commercial (a-C) powder, which contains 0.21% sulfur, revealed traces of non-percolated superconducting phases below T c = 65 K. The SC volume fraction is enhanced by the sulfur doping. (b) The a-C powder obtained by pyrolytic decomposition of sucrose did not show any sign of SC above 5 K. This powder was mixed with sulfur and synthesized at 400 °C (a-CS). The inhomogeneous products obtained show traces of SC phases at T c = 17 and 42 K. (c) Non-superconducting composite a-C-W thin films were grown by electron-beam induced deposition. SC emerged at T c = 34.4 K only after heat treatment with sulfur. Other parts of the pyrolytic a-CS powder show unusual magnetic features. (i) Pronounced irreversible peaks around 55-75 K appear in the first zero-field-cooled (ZFC) sweep only. Their origin is not known. (ii) Unexpectedly, these peaks are totally suppressed in the second ZFC runs measured a few minutes later. (iii) Around the peak position the field-cooled (FC) curves cross the ZFC plots (ZFC > FC). These peculiar magnetic observations are also ascribed to an a-CS powder prepared from the commercial a-C powder and are connected to each other. All SC and magnetic phenomena observed are intrinsic properties of the sulfur doped a-C materials. It is proposed that the a-CS systems behave similarly to well-known high T c curates and/or pnictides in which SC emerges from magnetic states.

  3. Superconductivity and unusual magnetic behavior in amorphous carbon

    International Nuclear Information System (INIS)

    Traces of superconductivity (SC) at elevated temperatures (up to 65 K) were observed by magnetic measurements in three different inhomogeneous sulfur doped amorphous carbon (a-C) systems: (a) in commercial and (b) synthesized powders and (c) in a-C thin films. (a) Studies performed on a commercial (a-C) powder, which contains 0.21% sulfur, revealed traces of non-percolated superconducting phases below T c = 65 K. The SC volume fraction is enhanced by the sulfur doping. (b) The a-C powder obtained by pyrolytic decomposition of sucrose did not show any sign of SC above 5 K. This powder was mixed with sulfur and synthesized at 400 °C (a-CS). The inhomogeneous products obtained show traces of SC phases at T c = 17 and 42 K. (c) Non-superconducting composite a-C-W thin films were grown by electron-beam induced deposition. SC emerged at T c = 34.4 K only after heat treatment with sulfur. Other parts of the pyrolytic a-CS powder show unusual magnetic features. (i) Pronounced irreversible peaks around 55–75 K appear in the first zero-field-cooled (ZFC) sweep only. Their origin is not known. (ii) Unexpectedly, these peaks are totally suppressed in the second ZFC runs measured a few minutes later. (iii) Around the peak position the field-cooled (FC) curves cross the ZFC plots (ZFC > FC). These peculiar magnetic observations are also ascribed to an a-CS powder prepared from the commercial a-C powder and are connected to each other. All SC and magnetic phenomena observed are intrinsic properties of the sulfur doped a-C materials. It is proposed that the a-CS systems behave similarly to well-known high T c curates and/or pnictides in which SC emerges from magnetic states. (papers)

  4. 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

  5. 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

  6. Advances in chemical synthesis and application of metal-metalloid amorphous alloy nanoparticulate catalysts

    Institute of Scientific and Technical Information of China (English)

    WU Zhijie; LI Wei; ZHANG Minghui; TAO Keyi

    2007-01-01

    This paper reviews the advances in the chemical synthesis and application of metal-metalloid amorphous alloy nanoparticles consisting of transition metal (M) and metalloid elements (B,P).After a brief introduction on the history of amorphous alloy catalysts,the paper focuses on the properties and characterization of amorphous alloy catalysts,and recent developments in the solution-phase synthesis of amorphous alloy nanoparticles.This paper further outlines the applications of amorphous alloys,with special emphasis on the problems and strategies for the application of amorphous alloy nanoparticles in catalytic reactions.

  7. 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.

  8. Influence of microstructure and hydrogen concentration on amorphous silicon crystallization

    Energy Technology Data Exchange (ETDEWEB)

    Budini, N., E-mail: nbudini@intec.unl.edu.a [Instituto de Desarrollo Tecnologico para la Industria Quimica, UNL-CONICET, Gueemes 3450, S3000GLN Santa Fe (Argentina); Rinaldi, P.A. [Instituto de Desarrollo Tecnologico para la Industria Quimica, UNL-CONICET, Gueemes 3450, S3000GLN Santa Fe (Argentina); Schmidt, J.A.; Arce, R.D.; Buitrago, R.H. [Instituto de Desarrollo Tecnologico para la Industria Quimica, UNL-CONICET, Gueemes 3450, S3000GLN Santa Fe (Argentina); Facultad de Ingenieria Quimica, UNL, Santiago del Estero 2829, S3000AOM Santa Fe (Argentina)

    2010-07-01

    Hydrogenated amorphous silicon samples were deposited on glass substrates at different temperatures by high frequency plasma-enhanced chemical vapor deposition. In this way, samples with different hydrogen concentrations and structures were obtained. The transition from an amorphous to a crystalline material, induced by a four-step thermal annealing sequence, has been followed. Effusion of hydrogen from the films plays an important role in the nucleation and growth mechanisms of crystalline silicon grains. Measurements of hydrogen concentrations, Raman scattering, X-ray diffraction and UV reflectance showed that an enhanced crystallization was obtained on samples deposited at lower substrate temperatures. A correlation between these measurements allows to analyze the evolution of structural properties of the samples. The presence of voids in the material, related to disorder in the amorphous matrix, results in a better quality of the resulting nanocrystalline silicon thin films.

  9. Influence of microstructure and hydrogen concentration on amorphous silicon crystallization

    International Nuclear Information System (INIS)

    Hydrogenated amorphous silicon samples were deposited on glass substrates at different temperatures by high frequency plasma-enhanced chemical vapor deposition. In this way, samples with different hydrogen concentrations and structures were obtained. The transition from an amorphous to a crystalline material, induced by a four-step thermal annealing sequence, has been followed. Effusion of hydrogen from the films plays an important role in the nucleation and growth mechanisms of crystalline silicon grains. Measurements of hydrogen concentrations, Raman scattering, X-ray diffraction and UV reflectance showed that an enhanced crystallization was obtained on samples deposited at lower substrate temperatures. A correlation between these measurements allows to analyze the evolution of structural properties of the samples. The presence of voids in the material, related to disorder in the amorphous matrix, results in a better quality of the resulting nanocrystalline silicon thin films.

  10. Field Emission Properties of Nitrogen-doped Amorphous Carbon Films

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Nitrogen-doped amorphous carbon thin films are deposited on the ceramic substrates coated with Ti film by using direct current magnetron sputtering technique at N2 and Ar gas mixture atmosphere during deposition. The field emission properties of the deposited films have been investigated. The threshold field as low as 5.93V/μm is obtained and the maximum current density increases from 4μA/cm2 to 20.67μA/cm2 at 10.67V/μm comparing with undoped amorphous film. The results show that nitrogen doping plays an important role in field emission of amorphous carbon thin films.

  11. Amorphous silicon carbide coatings for extreme ultraviolet optics

    Science.gov (United States)

    Kortright, J. B.; Windt, David L.

    1988-01-01

    Amorphous silicon carbide films formed by sputtering techniques are shown to have high reflectance in the extreme ultraviolet spectral region. X-ray scattering verifies that the atomic arrangements in these films are amorphous, while Auger electron spectroscopy and Rutherford backscattering spectroscopy show that the films have composition close to stoichiometric SiC, although slightly C-rich, with low impurity levels. Reflectance vs incidence angle measurements from 24 to 1216 A were used to derive optical constants of this material, which are presented here. Additionally, the measured extreme ultraviolet efficiency of a diffraction grating overcoated with sputtered amorphous silicon carbide is presented, demonstrating the feasibility of using these films as coatings for EUV optics.

  12. 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.

  13. Flexible Protocrystalline Silicon Solar Cells with Amorphous Buffer Layer

    Science.gov (United States)

    Ishikawa, Yasuaki; Schubert, Markus B.

    2006-09-01

    A low deposition temperature of 110 °C is mandatory for directly growing amorphous-silicon-based solar cells on plastic foil. The optimum absorber material at this low temperature is protocrystalline, i.e., right at the transition between amorphous and crystalline silicon. Polyethylene terephtalate foil of 50 μm thickness form the substrate of our flexible p-i-n single-junction cells. We discuss three peculiar processing techniques for achieving the maximum photovoltaic conversion efficiency of flexible low-temperature solar cells. First, we employ an optimized microcrystalline silicon p-type window layer; second, we use protocrystalline silicon for the i-layer; third, we insert an undoped amorphous silicon buffer layer at the p/i interface. The best flexible cells attain power conversion efficiencies of up to 4.9%.

  14. Connecting Local Yield Stresses with Plastic Activity in Amorphous Solids

    Science.gov (United States)

    Patinet, Sylvain; Vandembroucq, Damien; Falk, Michael L.

    2016-07-01

    In model amorphous solids produced via differing quench protocols, a strong correlation is established between local yield stress measured by direct local probing of shear stress thresholds and the plastic rearrangements observed during remote loading in shear. This purely local measure shows a higher predictive power for identifying sites of plastic activity when compared with more conventional structural properties. Most importantly, the sites of low local yield stress, thus defined, are shown to be persistent, remaining predictive of deformation events even after fifty or more such plastic rearrangements. This direct and nonperturbative approach gives access to relevant transition pathways that control the stability of amorphous solids. Our results reinforce the relevance of modeling plasticity in amorphous solids based on a gradually evolving population of discrete and local zones preexisting in the structure.

  15. Structural models for amorphous transition metal binary alloys

    International Nuclear Information System (INIS)

    A dense random packing of 445 hard spheres with two different diameters in a concentration ratio of 3 : 1 was hand-built to simulate the structure of amorphous transition metal-metalloid alloys. By introducing appropriate pair potentials of the Lennard-Jones type, the structure is dynamically relaxed by minimizing the total energy. The radial distribution functions (RDF) for amorphous Fe0.75P0.25, Ni0.75P0.25, Co0.75P0.25 are obtained and compared with the experimental data. The calculated RDF's are resolved into their partial components. The results indicate that such dynamically constructed models are capable of accounting for some subtle features in the RDF of amorphous transition metal-metalloid alloys

  16. Glow discharge amorphous silicon tin alloys

    Energy Technology Data Exchange (ETDEWEB)

    Mahan, A H; Sanchez, A; Williamson, D L; von Roedern, B; Madan, A

    1984-06-01

    We present basic density of states, photoresponse, and transport measurements made on low bandgap a-SiSn:H alloys produced by RF glow discharge deposition of SiH/sub 4/, H/sub 2/ and Sn(CH/sub 3/)/sub 4/. Although we demonstrate major changes in the local bonding structure and the density of states, the normalized photoresponse still remains poor. We provide evidence that two types of defect levels are produced with Sn alloying, and that the resultant density of states increase explains not only the n- to p-type conductivity transition reported earlier, but also the photoresponse behavior. We also report that a-SiSn:H can be doped with P. From our device analysis we suggest that in order to improve the alloy performance significantly, the density of states should be decreased to levels comparable to or lower than those presently obtained in a-Si:H.

  17. 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

  18. 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.

  19. Refining stability and dissolution rate of amorphous drug formulations

    DEFF Research Database (Denmark)

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

    2014-01-01

    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...... and on the interaction of APIs with small molecular compounds rather than polymers. Finally, in situ formation of an amorphous form might be an option to avoid storage problems altogether. Expert opinion: The diversity of poorly soluble APIs formulated in an amorphous drug delivery system will require different...

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Elastic properties of amorphous thin films studied by Rayleigh waves

    International Nuclear Information System (INIS)

    Physical vapor deposition in ultra-high vacuum was used to co-deposit nickel and zirconium onto quartz single crystals and grow amorphous Ni1-xZrx (0.1 < x < 0.87) thin film. A high-resolution surface acoustic wave technique was developed for in situ measurement of film shear moduli. The modulus has narrow maxima at x = 0. 17, 0.22, 0.43, 0.5, 0.63, and 0.72, reflecting short-range ordering and formation of aggregates in amorphous phase. It is proposed that the aggregates correspond to polytetrahedral atom arrangements limited in size by geometrical frustration

  6. 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.

  7. Electrical characteristics of amorphous iron-tungsten contacts on silicon

    OpenAIRE

    Finetti, M.; Pan, E. T-S.; Suni, I.; Nicolet, M-A.

    1983-01-01

    The electrical characteristics of amorphous Fe-W contacts have been determined on both p-type and n-type silicon. The amorphous films were obtained by cosputtering from a composite target. Contact resistivities, pc=1×10^−7 and pc=2.8×10^−6, were measured on n+ and p+ silicon, respectively. These values remain constant after thermal treatment up to at least 500°C. A barrier height, φBn=0.61 V, was measured on n-type silicon.

  8. Electrical characteristics of amorphous iron-tungsten contacts on silicon

    Science.gov (United States)

    Finetti, M.; Pan, E. T.-S.; Nicolet, M.-A.; Suni, I.

    1983-01-01

    The electrical characteristics of amorphous Fe-W contacts have been determined on both p-type and n-type silicon. The amorphous films were obtained by cosputtering from a composite target. Contact resistivities of 1 x 10 to the -7th and 2.8 x 10 to the -6th were measured on n(+) and p(+) silicon, respectively. These values remain constant after thermal treatment up to at least 500 C. A barrier height of 0.61 V was measured on n-type silicon.

  9. Surface orientation effects in crystalline-amorphous silicon interfaces

    OpenAIRE

    Nolan, Michael; Legesse, Merid; Fagas, Giorgos

    2012-01-01

    In this paper we present the results of empirical potential and density functional theory (DFT) studies of models of interfaces between amorphous silicon (a-Si) or hydrogenated amorphous Si (a-Si:H) and crystalline Si (c-Si) on three unreconstructed silicon surfaces, namely (100), (110) and (111). In preparing models of a-Si on c-Si, melting simulations are run with classical molecular dynamics (MD) at 3000 K for 10 ps to melt part of the crystalline surface and the structure is quenched to 3...

  10. Optical multilayer films based on an amorphous fluoropolymer

    International Nuclear Information System (INIS)

    Multilayered coatings were made by physical vapor deposition (PVD) of a perfluorinated amorphous polymer, Teflon AF2400, and with other optical materials. A high reflector for 1064 nm light was made with ZnS and AF2400. An all-organic 1064 nm reflector was made from AF2400 and polyethylene. Oxide (HfO2 and SiO2) compatibility with AF2400 was also tested. The multilayer morphologies were influenced by coating stress and unintentional temperature rises from the PVD process. Analysis by liquid nuclear magnetic resonance of the thin films showed slight compositional variations between the coating and starting materials of perfluorinated amorphous polymers

  11. Mechanism of Germanium-Induced Perimeter Crystallization of Amorphous Silicon

    OpenAIRE

    Hakim, M. M. A.; Ashburn, P.

    2007-01-01

    We report a study aimed at highlighting the mechanism of a new amorphous silicon crystallization phenomenon that originates from the perimeter of a germanium layer during low-temperature annealing (500°C). Results are reported on doped and undoped amorphous silicon films, with thicknesses in the range 40–200 nm, annealed at a temperature of 500 or 550°C. A comparison is made of crystallization arising from Ge and SiGe layers and the role of damage from a high-dose fluorine implant is investig...

  12. 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.

  13. Potential of amorphous and microcrystalline silicon solar cells

    OpenAIRE

    Meier, Johannes; Spitznagel, J.; Kroll, U.; Bucher, C.; Faÿ Sylvie; Moriarty, T.; Shah, Arvind

    2008-01-01

    Low pressure chemical vapour deposition (LP-CVD) ZnO as front transparent conductive oxide (TCO), developed at IMT, has excellent light-trapping properties for a-Si:H p-i-n single-junction and ‘micromorph’ (amorphous/microcrystalline silicon) tandem solar cells. A stabilized record efficiency of 9.47% has independently been confirmed by NREL for an amorphous silicon single-junction p-i-n cell (~1 cm2) deposited on LP-CVD ZnO coated glass. Micromorph tandem cells with an initial efficiency of ...

  14. 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.

  15. 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...

  16. Role of amorphous silicon domains on Er3+ emission in the Er-doped hydrogenated amorphous silicon suboxide film

    Institute of Scientific and Technical Information of China (English)

    陈长勇; 陈维德; 李国华; 宋淑芳; 丁琨; 许振嘉

    2003-01-01

    An investigation on the correlation between amorphous Si (a-Si) domains and Er3+ emission in the Er-doped hydrogenated amorphous silicon suboxide (a-Si:O:H) film is presented. On one hand, a-Si domains provide sufficient carriers for Er3+ carrier-mediated excitation which has been proved to be the highest excitation path for Er3+ ion; on the other hand, hydrogen diffusion from a-Si domains to amorphous silicon oxide (a-SiOx) matrix during annealing has been found and this possibly decreases the number of nonradiative centres around Er3+ ions. This study provides a better understanding of the role of a-Si domains on Er3+ emission in a-Si:O:Hfilms.

  17. Role of amorphous silicon domains of Er3+ emission in the Er—doped hydrogenated amorphous silicon suboxide film

    Institute of Scientific and Technical Information of China (English)

    ChenChang-Yong; ChenWei-De; LeGuo-Hua; SongShu-Fang; DingKun; XuZhen-Jia

    2003-01-01

    An investigation on the correlation between amorphous Si(a-Si) domains and Er3+ emission in the Er-doped hydrogenated amorphous silicon suboxide (a-Si:O:H) film is presented. On one hand, a-Si domains provide sufficient carrlers for Er3+ carrier-mediated excitation which has been proved to be the highest excitation path for Er3+ ion; on the other hand, hydrogen diffusion from a-Si domains to amorphous silicon oxide (a-SiOx) matrix during annealing has been found and this possibly decreases the number of nonradiative centres around Er3+ ions. This study provides a better understanding of the role of a-Si domains on Er3+ emission in a-Si:O:H films.

  18. 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...

  19. The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

    International Nuclear Information System (INIS)

    Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB2 has a very high bulk glass transition temperature Tg, and we observe no three-state hopping or sequential two-state hopping previously seen on lower Tg glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses

  20. New amorphous interface for precipitate nitrides in steel

    DEFF Research Database (Denmark)

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

    2014-01-01

    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....