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Sample records for amorphous state

  1. 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.

  2. 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

  3. Amorphous Carbon: State of the Art - Proceedings of the 1st International Specialist Meeting on Amorphous Carbon (smac '97)

    Science.gov (United States)

    Silva, S. R. P.; Robertson, J.; Milne, W. I.; Amaratunga, G. A. J.

    1998-05-01

    The Table of Contents for the full book PDF is as follows: * Preface * GROWTH AND STRUCTURE * The Structure of Tetrahedral Amorphous Carbon * Growth of DLC Films and Related Structure and Properties * Deposition Mechanism of Diamond-Like Carbon * Relaxation of sp3 Bonds in Hydrogen Free Carbon Films During Growth * MODELLING * Correlations Between Microstructure and Electronic Properties in Amorphous Carbon Based Materials * Review of Monte Carlo Simulations of Diamondlike Amorphous Carbon: Bulk, Surface, and Interface Structural Properties * DEPOSITION * Preparation of Disordered Amorphous and Partially Ordered Nano Clustered Carbon Films by Arc Deposition: A Critical Review * Plasma Deposition of Diamond-Like Carbon in an ECR-RF Discharge * Deposition of Amorphous Hydrogenated Carbon-Nitrogen Films by PECVD Using Several Hydrocarbon / Nitrogen Containing Gas Mixtures * ELECTRONIC STRUCTURE * 'Defects' and Their Detection in a-C and a-C:H * Valence Band and Gap State Spectroscopy of Amorphous Carbon by Photoelectron Emission Techniques * Photoluminescence Spectroscopy: A Probe for Inhomogeneous Structure in Polymer-Like Amorphous Carbon * Raman Characterization of Amorphous and Nanocrystalline sp3 Bonded Structures * Ultraviolet Raman Spectroscopy of Tetrahedral Amorphous Carbon Thin Films * Excitation Energy Dependent Raman and Photoluminescence Spectra of Hydrogenated Amorphous Carbon * MECHANICAL PROPERTIES * Pulsed Laser Deposited a-C: Growth, Structure and Mechanical Properties * Mechanical Properties of Laser-Assisted Deposited Amorphous Carbon Films * Mechanical and Morphology Study on Tetrahedral Amorphous Carbon Films * Time-Dependent Changes in the Mechanical Properties of Diamond-Like Carbon Films * ELECTRONIC PROPERTIES * Electronic Transport in Amorphous Carbon * Electronic Properties of Undoped/Doped Tetrahedral Amorphous Carbon * The Inclusion of Graphitic Nanoparticles in Semiconducting Amorphous Carbon to Enhance Electronic Transport Properties

  4. Solid-state characterization of amorphous and mesomorphous calcium ketoprofen.

    Science.gov (United States)

    Atassi, Faraj; Mao, Chen; Masadeh, Ahmad S; Byrn, Stephen R

    2010-09-01

    This article is concerned with exploring the application of pair distribution in pharmaceutical analysis. The solid-state characterization of amorphous and mesomorphous (liquid crystalline) calcium ketoprofen is used as an example and the structures of the amorphous and mesomorphous phases of calcium ketoprofen are compared to that of the crystalline phase. An approach to calculating the optimal experimental parameters in pair distribution function (PDF) analysis as well as a suggested method to help assign the many different peaks in a PDF diagram of an organic material are discussed. The studied salts were analyzed by X-ray powder diffraction (XRPD), single crystal X-ray diffraction, Raman spectroscopy, polarized light microscopy (PLM), solid-state NMR (SSNMR), variable-temperature SSNMR, and PDF. Raman and SSNMR were useful techniques in identifying and differentiating the crystalline phase from the other two phases but failed, alone, to differentiate between the amorphous and mesomorphous phases. The absence of significant changes in chemical shifts in SSNMR and peak shifts in Raman spectra suggested that the differences in the molecular environment of the major chemical groups in the amorphous and mesomorphous phases were minimal. However, the broadening of the Raman and SSNMR peaks in the noncrystalline phases indicated an increase in the disorder in these systems. PDF analysis of the disordered phases revealed that upon dehydration or quench cooling where the system transformed from crystalline to become disordered, the calcium-calcium and calcium-oxygen (oxygen of the carboxylic acid) distances remained intact meanwhile the rest of the molecule became disordered. The preliminary results from variable-temperature SSNMR showed two different T(1) relaxation time profiles for the amorphous and mesomorphous phases. This was consistent with the hypothesis that part of the molecule remained ordered while the rest of the molecule became disordered and the amorphous

  5. Amorphous tantala and its relationship with the molten state

    Science.gov (United States)

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

    2018-04-01

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

  6. Density of states in Mo-Ru amorphous alloys

    International Nuclear Information System (INIS)

    Miyakawa, W.

    1985-01-01

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

  7. Electron structure of amorphous semi-conductor states

    International Nuclear Information System (INIS)

    Wiid, D.H.; Lemmer, R.H.

    1975-01-01

    The electrical properties of amorphous materials are determined by their electron states. Since the electrons are much lighter than the massive ions, the energy levels of the electrons are extremely sensitive to changes in the states of the ions, e.g. a change in their positions. A method has been developed to approximate the positional disorder inthe crystal by a compositional disorder, i.e. the substitution, in a pure crystal, of ions by impurities. The advantage of this lies in the retention of the periodicity of the lattice. This model is linked with an investigation at present under way, in which the mobility, electrical resistance, etc. of a silicon crystal is determined as a function of its amorphous state. It is for instance possible to control the degree of disorder in the crystal, and the problem is to characterise the disorder by a specific parameter. For theoretical calculations such a parameter is essential and it is therefore also the biggest shortcoming in all the theories that, as far as is known, have been developed. It is possible to set up a general phenomenological theory for, for example, electrical resistance, but in view of its complex nature only rough approximations can be made [af

  8. Solid state characterization of commercial crystalline and amorphous atorvastatin calcium samples.

    Science.gov (United States)

    Shete, Ganesh; Puri, Vibha; Kumar, Lokesh; Bansal, Arvind K

    2010-06-01

    Atorvastatin calcium (ATC), an anti-lipid BCS class II drug, is marketed in crystalline and amorphous solid forms. The objective of this study was to perform solid state characterization of commercial crystalline and amorphous ATC drug samples available in the Indian market. Six samples each of crystalline and amorphous ATC were characterized using X-ray powder diffractometry (XRPD), differential scanning calorimetry (DSC), thermogravimetric analysis, Karl Fisher titrimetry, microscopy (hot stage microscopy, scanning electron microscopy), contact angle, and intrinsic dissolution rate (IDR). All crystalline ATC samples were found to be stable form I, however one sample possessed polymorphic impurity, evidenced in XRPD and DSC analysis. Amongst the amorphous ATC samples, XRPD demonstrated five samples to be amorphous 'form 27', while, one matched amorphous 'form 23'. Thermal behavior of amorphous ATC samples was compared to amorphous ATC generated by melt quenching in DSC. ATC was found to be an excellent glass former with T(g)/T(m) of 0.95. Residual crystallinity was detected in two of the amorphous samples by complementary use of conventional and modulated DSC techniques. The wettability and IDR of all amorphous samples was found to be higher than the crystalline samples. In conclusion, commercial ATC samples exhibited diverse solid state behavior that can impact the performance and stability of the dosage forms.

  9. 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.

  10. 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.

  11. Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen

    International Nuclear Information System (INIS)

    Sallis, S.; Williams, D. S.; Butler, K. T.; Walsh, A.; Quackenbush, N. F.; Junda, M.; Podraza, N. J.; Fischer, D. A.; Woicik, J. C.; White, B. E.; Piper, L. F. J.

    2014-01-01

    The origin of the deep subgap states in amorphous indium gallium zinc oxide (a-IGZO), whether intrinsic to the amorphous structure or not, has serious implications for the development of p-type transparent amorphous oxide semiconductors. We report that the deep subgap feature in a-IGZO originates from local variations in the oxygen coordination and not from oxygen vacancies. This is shown by the positive correlation between oxygen composition and subgap intensity as observed with X-ray photoelectron spectroscopy. We also demonstrate that the subgap feature is not intrinsic to the amorphous phase because the deep subgap feature can be removed by low-temperature annealing in a reducing environment. Atomistic calculations of a-IGZO reveal that the subgap state originates from certain oxygen environments associated with the disorder. Specifically, the subgap states originate from oxygen environments with a lower coordination number and/or a larger metal-oxygen separation.

  12. Formation of amorphous Ti-50at.%Pt by solid state reactions during mechanical alloying

    CSIR Research Space (South Africa)

    Mahlatji, ML

    2013-10-01

    Full Text Available ) homogenous equiaxed particles MA of crystalline powder mixtures of two transition metals often results in the formation of amorphous alloys (Koch et al., 1983; Schwarz and Koch, 1986). It is generally accepted that this is due to solid-state amorphization...Ni (Schwarz, Petrich, and Saw, 1985; Liang, Wang, and Li, 1995) and TiPd (Thompson and Politis, 1987) systems. The deformation, fracturing, and cold welding of powder particles is illustrated by Figure 5(a-b), where the formerly spherical/-spongy particles...

  13. Acid-base characteristics of bromophenol blue-citrate buffer systems in the amorphous state.

    Science.gov (United States)

    Li, Jinjiang; Chatterjee, Koustuv; Medek, Ales; Shalaev, Evgenyi; Zografi, George

    2004-03-01

    In this study, we have examined the acid-base characteristics of various citrate buffer systems alone and in the presence of the pH indicator dye, bromophenol blue, in aqueous solution, and after lyophilization to produce amorphous material. Fourier transform Raman and solid-state nuclear magnetic resonance spectroscopy have been used to monitor the ratio of ionized to un-ionized citric acid under various conditions, as a function of initial pH in the range of 2.65-4.28. Ultraviolet-visible spectrophotometry was used to probe the extent of proton transfer of bromophenol blue in the citrate buffer systems in solution and the amorphous state. Spectroscopic studies indicated greater ionization of citric acid and bromophenol blue in solution and the solid state with increasing initial solution pH, as expected. Fourier transform Raman measurements indicated the same ratio of ionized to un-ionized citrate species in solution, frozen solution, and the amorphous state. It is shown that the ratio of species at any particular initial pH is primarily determined by the amount of sodium ion present so as to maintain electroneutrality and not necessarily to the fact that pH and pK(a) remain unchanged during freezing and freeze drying. Indeed, for bromophenol blue, the relative ultraviolet-visible intensities for ionized and un-ionized species in the amorphous sample were different from those in solution indicating that the extent of protonation of bromophenol blue was significantly lower in the solid samples. It is concluded that under certain conditions there can be significant differences in the apparent hydrogen activity of molecules in amorphous systems. Copyright 2004 Wiley-Liss, Inc. and the American Pharmacists Association

  14. Potential fluctuations and density of gap states in amorphous semiconductors

    International Nuclear Information System (INIS)

    Chan, C.T.; Louie, S.G.; Phillips, J.C.

    1987-01-01

    The exponential-band-tail (Urbach-tail) problem for structurally disordered material is treated by a simple model in which quantum wells (used to model the effects of local disorder) trap states in the gap. The density of states in the gap is calculated and is shown to have approximately exponential behavior over a range of energy of physical interest. A direct relation is established between the Urbach-tail slope and the glass transition temperature. Agreement with experimentally determined Urbach-tail slopes is obtained for the Ge-Sn-Se glasses for reasonable parameters employed in the present model

  15. 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, ...

  16. Degradation of L-Ascorbic Acid in the Amorphous Solid State.

    Science.gov (United States)

    Sanchez, Juan O; Ismail, Yahya; Christina, Belinda; Mauer, Lisa J

    2018-03-01

    Ascorbic acid degradation in amorphous solid dispersions was compared to its degradation in the crystalline state. Physical blends and lyophiles of ascorbic acid and polymers (pectins and polyvinylpyrrolidone [PVP]) were prepared initially at 50:50 (w/w), with further studies using the polymer that best inhibited ascorbic acid crystallization in the lyophiles in 14 vitamin : PVP ratios. Samples were stored in controlled environments (25 to 60 °C, 0% to 23% RH) for 1 mo and analyzed periodically to track the physical appearance, change in moisture content, physical state (powder x-ray diffraction and polarized light microscopy), and vitamin loss (high performance liquid chromatography) over time. The glass transition temperatures of select samples were determined using differential scanning calorimetry, and moisture sorption profiles were generated. Ascorbic acid in the amorphous form, even in the glassy amorphous state, was more labile than in the crystalline form in some formulations at the highest storage temperature. Lyophiles stored at 25 and 40 °C and those in which ascorbic acid had crystallized at 60 °C (≥70% ascorbic acid : PVP) had no significant difference in vitamin loss (P > 0.05) relative to physical blend controls, and the length of storage had little effect. At 60 °C, amorphous ascorbic acid lyophiles (≤60% ascorbic acid : PVP) lost significantly more vitamin (P degradation also significantly increased (P < 0.05) at lower proportions of ascorbic acid, a scenario likely encountered in foods wherein vitamins are naturally present or added at low concentrations and production practices may promote amorphization of the vitamin. Vitamin C is one of the most unstable vitamins in foods. This study documents that amorphous ascorbic acid is less stable than crystalline ascorbic acid in some environments (for example, higher temperatures within 1 wk), especially when the vitamin is present at low concentrations in a product. These findings increase the

  17. Method to quantify the delocalization of electronic states in amorphous semiconductors and its application to assessing charge carrier mobility of p -type amorphous oxide semiconductors

    Science.gov (United States)

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

    2018-01-01

    Amorphous semiconductors are usually characterized by a low charge carrier mobility, essentially related to their lack of long-range order. The development of such material with higher charge carrier mobility is hence challenging. Part of the issue comes from the difficulty encountered by first-principles simulations to evaluate concepts such as the electron effective mass for disordered systems since the absence of periodicity induced by the disorder precludes the use of common concepts derived from condensed matter physics. In this paper, we propose a methodology based on first-principles simulations that partially solves this problem, by quantifying the degree of delocalization of a wave function and of the connectivity between the atomic sites within this electronic state. We validate the robustness of the proposed formalism on crystalline and molecular systems and extend the insights gained to disordered/amorphous InGaZnO4 and Si. We also explore the properties of p -type oxide semiconductor candidates recently reported to have a low effective mass in their crystalline phases [G. Hautier et al., Nat. Commun. 4, 2292 (2013), 10.1038/ncomms3292]. Although in their amorphous phase none of the candidates present a valence band with delocalization properties matching those found in the conduction band of amorphous InGaZnO4, three of the seven analyzed materials show some potential. The most promising candidate, K2Sn2O3 , is expected to possess in its amorphous phase a slightly higher hole mobility than the electron mobility in amorphous silicon.

  18. Solid-state amorphization in the Ni-Zr system investigated by positron lifetime spectroscopy

    International Nuclear Information System (INIS)

    Bernal, M.J.; De La Cruz, R.M.; Leguey, T.; Pareja, R.; Riveiro, J.M.

    1995-01-01

    The process of mechanical alloying and amorphization of Ni-Zr powders is investigated by positron lifetime spectroscopy, X-ray diffraction and differential scanning calorimetry. The short-lived component of the lifetime spectra is composition and milling-time dependent. The second lifetime component, found during the initial stages of the milling process, appears to be due to annihilation from states trapped at crystalline interface joints. The results indicate that the solid-state reactions induced by ball milling involve the transformation and disappearance of the crystalline interface joints in the powder particles. (orig.)

  19. Synthesis and electrochemical evaluation of an amorphous titanium dioxide derived from a solid state precursor

    Science.gov (United States)

    Joyce, Christopher D.; McIntyre, Toni; Simmons, Sade; LaDuca, Holly; Breitzer, Jonathan G.; Lopez, Carmen M.; Jansen, Andrew N.; Vaughey, J. T.

    Titanium oxides are an important class of lithium-ion battery electrodes owing to their good capacity and stability within the cell environment. Although most Ti(IV) oxides are poor electronic conductors, new methods developed to synthesize nanometer scale primary particles have achieved the higher rate capability needed for modern commercial applications. In this report, the anionic water stable titanium oxalate anion [TiO(C 2O 4) 2] 2- was isolated in high yield as the insoluble DABCO (1,4-diazabicyclo[2.2.2]octane) salt. Powder X-ray diffraction studies show that the titanium dioxide material isolated after annealing in air is initially amorphous, converts to N-doped anatase above 400 °C, then to rutile above 600 °C. Electrochemical studies indicate that the amorphous titanium dioxide phase within a carbon matrix has a stable cycling capacity of ∼350 mAh g -1. On crystallizing at 400 °C to a carbon-coated anatase the capacity drops to 210 mAh g -1, and finally upon carbon burn-off to 50 mAh g -1. Mixtures of the amorphous titanium dioxide and Li 4Ti 5O 12 showed a similar electrochemical profile and capacity to Li 4Ti 5O 12 but with the addition of a sloping region to the end of the discharge curve that could be advantageous for determining state-of-charge in systems using Li 4Ti 5O 12.

  20. Weak and Strong Gels and the Emergence of the Amorphous Solid State

    Directory of Open Access Journals (Sweden)

    Jack F. Douglas

    2018-02-01

    Full Text Available Gels are amorphous solids whose macroscopic viscoelastic response derives from constraints in the material that serve to localize the constituent molecules or particles about their average positions in space. These constraints may either be local in nature, as in chemical cross-linking and direct physical associations, or non-local, as in case of topological “entanglement” interactions between highly extended fiber or sheet structures in the fluid. Either of these interactions, or both combined, can lead to “gelation” or “amorphous solidification”. While gels are often considered to be inherently non-equilibrium materials, and correspondingly termed “soft glassy matter”, this is not generally the case. For example, the formation of vulcanized rubbers by cross-linking macromolecules can be exactly described as a second order phase transition from an equilibrium fluid to an equilibrium solid state, and amorphous solidification also arises in diverse physical gels in which molecular and particle localization occurs predominantly through transient molecuar associations, or even topological interactions. As equilibrium, or near equilibrium systems, such gels can be expected to exhibit universal linear and non-linear viscoelastic properties, especially near the “critical” conditions at which the gel state first emerges. In particular, a power-law viscoelastic response is frequently observed in gel materials near their “gelation” or “amorphous solidification” transition. Another basic property of physical gels of both theoretical and practical interest is their response to large stresses at constant shear rate or under a fixed macrocopic strain. In particular, these materials are often quite sensitive to applied stresses that can cause the self-assembled structure to progressively break down under flow or deformation. This disintegration of gel structure can lead to “yield” of the gel material, i.e., a fluidization

  1. Solid-State Electrochromic Device Consisting of Amorphous WO3 and Various Thin Oxide Layers

    Science.gov (United States)

    Shizukuishi, Makoto; Shimizu, Isamu; Inoue, Eiichi

    1980-11-01

    A mixed oxide containing Cr2O3 was introduced into an amorphous WO3 solid-state electrochromic device (ECD) in order to improve its colour memory effect. The electrochromic characteristics were greatly affected by the chemical constituents of a dielectric layer on the a-WO3 layer. Particularly, long memory effect and low power dissipation were attained in a solid-state ECD consisting of a-WO3 and Cr2O3\\cdotV2O5(50 wt.%). Some electrochromic characteristics of the a-WO3/Cr2O3\\cdotV2O5 ECD and the role of V2O5 were investigated.

  2. Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films

    Science.gov (United States)

    Kolosov, Vladimir

    Exotic thin crystals with unexpected transrotational microstructures have been discovered by transmission electron microscopy (TEM) for crystal growth in thin (10-100 nm) amorphous films of different chemical nature (oxides, chalcogenides, metals and alloys) prepared by various methods. Primarily we use our TEM bend contour technique. The unusual phenomenon can be traced in situ in TEM column: dislocation independent regular internal bending of crystal lattice planes in a growing crystal. Such transrotation (unit cell trans lation is complicated by small rotationrealized round an axis lying in the film plane) can result in strong regular lattice orientation gradients (up to 300 degrees per micrometer) of different geometries: cylindrical, ellipsoidal, toroidal, saddle, etc. Transrotation is increasing as the film gets thinner. Transrotational crystal resembles ideal single crystal enclosed in a curved space. Transrotational micro crystals have been eventually recognized by other authors in some vital thin film materials, i.e. PCMs for memory, silicides, SrTiO3. Atomic model and possible mechanisms of the phenomenon are discussed. New transrotational nanocrystalline model of amorphous state is also proposed Support of RF Ministry of Education and Science is acknowledged.

  3. In situ X-ray diffraction study of solid state transformations during catalytic graphitisation of amorphous carbon

    CERN Document Server

    Krivoruchko, O P; Zaikovskii, V I

    2001-01-01

    Here we report on the results of an in situ X-ray diffraction study of phase transformations during catalytic graphitisation of amorphous carbon. It is demonstrated that there is unusual change of iron catalyst reflection intensity at low temperature approx 640 deg. C. This unusual intensity change may possibly be caused by the transition of some part of metal into liquid state at low temperature. It was also shown by electron microscopy that although no graphite reflections were detected 80-90% of amorphous carbon becomes graphite after sample heating in a high temperature vacuum chamber.

  4. 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

    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 ...

  5. Electron-trapping-triggered anneal of defect states in silicon-rich hydrogenated amorphous silicon nitride

    International Nuclear Information System (INIS)

    Oversluizen, G.; Lodders, W.H.; Johnson, M.T.; van der Put, A.A.

    1997-01-01

    The dc-current stress behavior of Mo/a-SiN x H y /Mo thin-film diodes is discussed for several a-SiN x H y -plasma-deposition conditions. Current transport is governed by thermionic field emission of electrons over a reverse biased Schottky barrier. The barrier height is determined by the a-SiN x H y -plasma-deposition conditions. Therefore these back-to-back Schottky devices provide an elegant way to perform dc-current stressing at several well defined carrier densities for similar stress fields. It is shown that such experiments allow assessment of defect-state creation/anneal mechanisms in a-SiN x H y . An electron-trapping-triggered anneal mechanism accounts for the observed dependence of the defect density at the electrode injecting contact (cathode) on the hole-barrier height at the anode. Also a new microscopically detailed anneal reaction scheme is proposed. The defect-state creation/anneal mechanism is expected to be generally applicable for all silicon-rich hydrogenated amorphous silicon alloys. copyright 1997 American Institute of Physics

  6. 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}.

  7. 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

    2015-12-07

    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.

  8. 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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

    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

  10. The effects of localized tail states on charge transport mechanisms in amorphous zinc tin oxide Schottky diodes

    Science.gov (United States)

    Son, Youngbae; Peterson, Rebecca L.

    2017-12-01

    Temperature-dependent current–voltage measurements were performed on vertical Schottky diodes made with solution-processed amorphous zinc tin oxide (a-ZTO) semiconductor and palladium rectifying contacts. Above 260 K, forward bias electron transport occurs via thermionic emission over an inhomogeneous, voltage-dependent Schottky barrier with {\\bar{φ }}b0 = 0.72 eV, σ 0 = 0.12 eV, and A* = 44 A cm‑2 K‑2, where {\\bar{φ }}b0 and {σ }0 are the mean potential barrier and its standard deviation at zero bias, respectively, and A* is Richardson’s constant. For large currents, the series ohmic resistance of the bulk semiconductor dominates. At temperatures below 260 K, less carriers are excited from localized states below the conduction band edge, and space-charge-limited current (SCLC) dominates. The exponential tail density of states parameters extracted for a-ZTO are g tc = 1.34 × 1019 cm‑3 eV‑1 and kT t = 26 meV. The intermediate tail state density in a-ZTO, less than that of amorphous silicon and greater than that of amorphous indium gallium zinc oxide, allows for experimental observation of a temperature-dependent transition of bulk charge transport mechanisms in strong forward bias from semiconductor-like ohmic conduction near room temperature to insulator-like SCLC at lower temperatures. In reverse bias, the same tail states lead to modified Poole–Frenkel emission, reducing the leakage current. The frequency response of a half-wave rectifier and diode impedance spectroscopy confirm that the Schottky diode cut-off frequency is above 1 MHz.

  11. Weak and Strong Gels and the Emergence of the Amorphous Solid State

    OpenAIRE

    Jack F. Douglas

    2018-01-01

    Gels are amorphous solids whose macroscopic viscoelastic response derives from constraints in the material that serve to localize the constituent molecules or particles about their average positions in space. These constraints may either be local in nature, as in chemical cross-linking and direct physical associations, or non-local, as in case of topological “entanglement” interactions between highly extended fiber or sheet structures in the fluid. Either of these interactions, or both combin...

  12. Solid-State NMR Investigation of Drug-Excipient Interactions and Phase Behavior in Indomethacin-Eudragit E Amorphous Solid Dispersions.

    Science.gov (United States)

    Lubach, Joseph W; Hau, Jonathan

    2018-02-20

    To investigate the nature of drug-excipient interactions between indomethacin (IMC) and methacrylate copolymer Eudragit® E (EE) in the amorphous state, and evaluate the effects on formulation and stability of these amorphous systems. Amorphous solid dispersions containing IMC and EE were spray dried with drug loadings from 20% to 90%. PXRD was used to confirm the amorphous nature of the dispersions, and DSC was used to measure glass transition temperatures (T g ). 13 C and 15 N solid-state NMR was utilized to investigate changes in local structure and protonation state, while 1 H T 1 and T 1ρ relaxation measurements were used to probe miscibility and phase behavior of the dispersions. T g values for IMC-EE solid dispersions showed significant positive deviations from predicted values in the drug loading range of 40-90%, indicating a relatively strong drug-excipient interaction. 15 N solid-state NMR exhibited a change in protonation state of the EE basic amine, with two distinct populations for the EE amine at -360.7 ppm (unprotonated) and -344.4 ppm (protonated). Additionally, 1 H relaxation measurements showed phase separation at high drug load, indicating an amorphous ionic complex and free IMC-rich phase. PXRD data showed all ASDs up to 90% drug load remained physically stable after 2 years. 15 N solid-state NMR experiments show a change in protonation state of EE, indicating that an ionic complex indeed forms between IMC and EE in amorphous solid dispersions. Phase behavior was determined to exhibit nanoscale phase separation at high drug load between the amorphous ionic complex and excess free IMC.

  13. Amorphous magnetism

    International Nuclear Information System (INIS)

    Rechenberg, H.R.

    1984-01-01

    The consequences of disorder on magnetic properties of solids are examined. In this context the word 'disorder' is not synonimous of structural amorphicity; chemical disorder can be achieved e.g. by randomly diffusing magnetic atoms on a nonmagnetic crystalline lattice. The name Amorphous Magnetism must be taken in a broad sense. (Author) [pt

  14. Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

    Energy Technology Data Exchange (ETDEWEB)

    Mandal, Krishna [Univ. of South Carolina, Columbia, SC (United States)

    2017-09-29

    High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of 3He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of 3He will be very desirable. To address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron (10B) and enriched lithium (6Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (tg ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10-24 cm2), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.

  15. Bifunctional star-burst amorphous molecular materials for OLEDs: achieving highly efficient solid-state luminescence and carrier transport induced by spontaneous molecular orientation.

    Science.gov (United States)

    Kim, Jun Yun; Yasuda, Takuma; Yang, Yu Seok; Adachi, Chihaya

    2013-05-21

    Bifunctional star-burst amorphous molecular materials displaying both efficient solid-state luminescence and high hole-transport properties are developed in this study. A high external electroluminescence quantum efficiency up to 5.9% is attained in OLEDs employing the developed amorphous materials. It is revealed that the spontaneous horizontal orientation of these light-emitting molecules in their molecular-condensed states leads to a remarkable enhancement of the electroluminescence efficiencies and carrier-transport properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Amorphous nanophotonics

    CERN Document Server

    Scharf, Toralf

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-12-15

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

  18. Transport properties of the pressure-induced amorphous semiconductor state of Al sub 3 sub 2 Ge sub 6 sub 8

    CERN Document Server

    Antonov, V E; Gurov, A F; Harkunov, A I; Kolyubakin, A I

    2002-01-01

    The temperature dependences of the dc conductivity and thermopower of the bulk amorphous alloy Al sub 3 sub 2 Ge sub 6 sub 8 were investigated at 6-420 K and at 80-370 K, respectively. The samples were prepared by solid-state amorphization of a quenched crystalline high-pressure phase while heating from 77 to 400 K at ambient pressure. Amorphous Al sub 3 sub 2 Ge sub 6 sub 8 was found to be a p-type semiconductor with an unusual combination of transport properties. The behaviour of the properties was described semi-quantitatively in terms of a modified Mott-Davis model assuming that the Fermi level lies inside the valence band tail.

  19. Determination of density of band-gap states of hydrogenated amorphous silicon suboxide thin films

    International Nuclear Information System (INIS)

    Bacioglu, A.

    2005-01-01

    Variation of density of gap states of PECVD silicon suboxide films with different oxygen concentrations was evaluated through electrical and optical measurements. Optical transmission and constant photocurrent method (CPM) were used to determine absorption coefficient as a function of photon energy. From these measurements the localized density of states between the valance band mobility edge and Fermi level has been determined. To determine the variation of conduction band edge, steady state photoconductivity (SSPC), photoconductivity response time (PCRT) and transient photoconductivity (TPC) measurements were utilized. Results indicate that the conduction and valance band edges, both, widen monotonically with oxygen content

  20. Probing hydrogen bonding in cocrystals and amorphous dispersions using (14)N-(1)H HMQC solid-state NMR.

    Science.gov (United States)

    Tatton, Andrew S; Pham, Tran N; Vogt, Frederick G; Iuga, Dinu; Edwards, Andrew J; Brown, Steven P

    2013-03-04

    Cocrystals and amorphous solid dispersions have generated interest in the pharmaceutical industry as an alternative to more established solid delivery forms. The identification of intermolecular hydrogen bonding interactions in a nicotinamide palmitic acid cocrystal and a 50% w/w acetaminophen-polyvinylpyrrolidone solid dispersion are reported using advanced solid-state magic-angle spinning (MAS) NMR methods. The application of a novel (14)N-(1)H HMQC experiment, where coherence transfer is achieved via through-space couplings, is shown to identify specific hydrogen bonding motifs. Additionally, (1)H isotropic chemical shifts and (14)N electric field gradient (EFG) parameters, both accessible from (14)N-(1)H HMQC experiments, are shown to be sensitive to changes in hydrogen bonding geometry. Numerous indicators of molecular association are accessible from this experiment, including NH cross-peaks occurring from intermolecular hydrogen bonds and changes in proton chemical shifts or electric field gradient parameters. First-principles calculations using the GIPAW approach that yield accurate estimates of isotropic chemical shifts, and EFG parameters were used to assist in assignment. It is envisaged that (14)N-(1)H HMQC solid state NMR experiments could become a valuable screening technique of solid delivery forms in the pharmaceutical industry.

  1. The Stabilization of Amorphous Zopiclone in an Amorphous Solid Dispersion.

    Science.gov (United States)

    Milne, Marnus; Liebenberg, Wilna; Aucamp, Marique

    2015-10-01

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

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

    DEFF Research Database (Denmark)

    Savolainen, M; Kogermann, K; Heinz, A

    2009-01-01

    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...

  3. 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

    2011-11-02

    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(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.

  4. The Effect of Stress in the Density of States of Amorphous Carbon Films Determined by X-Ray Excited Auger Electron Spectroscopy

    Directory of Open Access Journals (Sweden)

    P. F. Barbieri

    2017-01-01

    Full Text Available Amorphous carbon films can be prepared with a large variety of structure and have been used in a number of technological applications. Many of their properties have been determined, but very little is known concerning the effect of pressure on their properties. In this work we investigate the influence of pressure of graphite-like amorphous carbon films on the density of states (DOS using X-ray Excited Auger Electron Spectroscopy (XAES and the second derivate method of the XAES. The films were deposited by ion beam deposition and simultaneously bombarded with argon, which is responsible for the variation of the film stress, reaching extremely high values (4.5 GPa. Marked variations of the density of states of the pπ, pσ, sp, and s components were observed with increasing stress.

  5. Diamond amorphization in neutron irradiation

    International Nuclear Information System (INIS)

    Nikolaenko, V.A.; Gordeev, V.G.

    1996-01-01

    The paper presents the results on neutron irradiation of the diamond in a nuclear reactor. It is shown that the neutron irradiation stimulates the diamond transition to the amorphous state. At a temperature below 750 o K the time required for the diamond-graphite transition decreases with decreasing irradiation temperature. On the contrary, in irradiation at higher temperatures the time of diamond conversion into the amorphous state increases with decreasing but always remains shorter than in the absence of irradiation. (author)

  6. Amorphization-induced strong localization of electronic states in CsPbBr3 and CsPbCl3 studied by optical absorption measurements

    Science.gov (United States)

    Kondo, S.; Sakai, T.; Tanaka, H.; Saito, T.

    1998-11-01

    Optical absorption spectra of amorphous CsPbX3 films (X=Br,Cl) are characterized by two Gaussian bands near the fundamental edge, with the optical energy gap largely blueshifted and the absorption intensity strongly reduced as compared with the crystalline films. The peak energies of the bands are close to those of the A and C bands of Pb-doped alkali halides. The spectral features are discussed in terms of a molecular orbital theory based on a quasicomplex Pb2+(X-)6 model similar to the complex model for the doped alkali halides. It is shown that not only Pb2+ 6s and 6p extended states near the band edges but also X- p states contributing to upper valence bands are localized by amorphization. The transitions from the localized Pb2+ 6s to 6p states produce the spin-orbit allowed 3P1 and dipole allowed 1P1 states responsible for the two Gaussians. The localized X- p states lie deeper in energy than the localized Pb2+ 6s state and only contribute to higher-energy absorption above the Gaussian bands, giving the reason for the reduced absorption near the fundamental edge. The blueshift of the optical energy gap is attributed to the disappearance of k dispersions for these one-electron states.

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

    Science.gov (United States)

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

    2014-12-01

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

  8. Electric and magnetic properties of Al{sub 86}Ni{sub 8}R{sub 6} (R=Sm, Gd, Ho) alloys in liquid and amorphous states

    Energy Technology Data Exchange (ETDEWEB)

    Sidorov, V. [Ural State Pedagogical University, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation); Svec, P.; Svec, P.; Janickovic, D. [Institute of Physics SAS, Bratislava (Slovakia); Mikhailov, V. [Ural State Pedagogical University, Ekaterinburg (Russian Federation); Sidorova, E. [Plekhanov Russian University of Economics, Moscow (Russian Federation); Son, L. [Ural State Pedagogical University, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation)

    2016-06-15

    Electrical resistivity and magnetic susceptibility of Al{sub 86}Ni{sub 8}Sm{sub 6}, Al{sub 86}Ni{sub 8}Gd{sub 6} and Al{sub 86}Ni{sub 8}Ho{sub 6} 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 R{sup 3+} ions. The results are discussed in supposition of directed bonds between rare earth and aluminum atoms. - Highlights: • Electric and magnetic properties of Al{sub 86}Ni{sub 8}R{sub 6} alloys are studied experimentally. • The negative value of rtc in amorphous ribbons is explained. • The effective magnetic moments per Gd and Ho are found to be lower than for R{sup 3+} ions.

  9. Kinetically Controlled Two-Step Amorphization and Amorphous-Amorphous Transition in Ice

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Chuanlong; Yong, Xue; Tse, John S.; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kenney-Benson, Curtis; Shen, Guoyin

    2017-09-01

    We report the results of in situ structural characterization of the amorphization of crystalline ice Ih under compression and the relaxation of high-density amorphous (HDA) ice under decompression at temperatures between 96 and 160 K by synchrotron x-ray diffraction. The results show that ice Ih transforms to an intermediate crystalline phase at 100 K prior to complete amorphization, which is supported by molecular dynamics calculations. The phase transition pathways show clear temperature dependence: direct amorphization without an intermediate phase is observed at 133 K, while at 145 K a direct Ih-to-IX transformation is observed; decompression of HDA shows a transition to low-density amorphous ice at 96 K and ~ 1 Pa , to ice Ic at 135 K and to ice IX at 145 K. These observations show that the amorphization of compressed ice Ih and the recrystallization of decompressed HDA are strongly dependent on temperature and controlled by kinetic barriers. Pressure-induced amorphous ice is an intermediate state in the phase transition from the connected H-bond water network in low pressure ices to the independent and interpenetrating H-bond network of high-pressure ices.

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

    International Nuclear Information System (INIS)

    Sel, Kıvanç; Güneş, İbrahim

    2012-01-01

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

  11. Evolution of Defect Structures and Deep Subgap States during Annealing of Amorphous In-Ga-Zn Oxide for Thin-Film Transistors

    Science.gov (United States)

    Jia, Junjun; Suko, Ayaka; Shigesato, Yuzo; Okajima, Toshihiro; Inoue, Keiko; Hosomi, Hiroyuki

    2018-01-01

    We investigate the evolution behavior of defect structures and the subgap states in In-Ga-Zn oxide (IGZO) films with increasing postannealing temperature by means of extended x-ray absorption fine-structure (EXAFS) measurements, positron annihilation lifetime spectroscopy (PALS), and cathodoluminescence (CL) spectroscopy, aiming to understand the relationship between defect structures and subgap states. EXAFS measurements reveal the varied oxygen coordination numbers around cations during postannealing and confirm two types of point defects, namely, excess oxygen around Ga atoms and oxygen deficiency around In and/or Zn atoms. PALS suggests the existence of cation-vacancy (VM )-related clusters with neutral or negative charge in both amorphous and polycrystalline IGZO films. CL spectra show a main emission band at approximately 1.85 eV for IGZO films, and a distinct shoulder located at about 2.15 eV for IGZO films postannealed above 600 °C . These two emission bands are assigned to a recombination between the electrons in the conduction band and/or in the shallow donor levels near the conduction band and the acceptors trapped above the valence-band maximum. The shallow donors are attributed to the oxygen deficiency, and the acceptors are thought to possibly arise from the excess oxygen or the VM-related clusters. These results open up an alternative route for understanding the device instability of amorphous IGZO-based thin-film transistors, especially the presence of the neutral or negatively charged VM-related clusters in amorphous IGZO films.

  12. Hydrogen in disordered and amorphous solids

    International Nuclear Information System (INIS)

    Bambakidis, G; Bowman, R.C.

    1986-01-01

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

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  14. Facile synthesis of amorphous FeOOH/MnO2 composites as screen-printed electrode materials for all-printed solid-state flexible supercapacitors

    Science.gov (United States)

    Lu, Qiang; Liu, Li; Yang, Shuanglei; Liu, Jun; Tian, Qingyong; Yao, Weijing; Xue, Qingwen; Li, Mengxiao; Wu, Wei

    2017-09-01

    More convenience and intelligence life lead by flexible/wearable electronics requires innovation and hommization of power sources. Here, amorphous FeOOH/MnO2 composite as screen-printed electrode materials for supercapacitors (SCs) is synthesized by a facile method, and solid-state flexible SCs with aesthetic design are fabricated by fully screen-printed process on different substrates, including PET, paper and textile. The amorphous FeOOH/MnO2 composite shows a high specific capacitance and a good rate capability (350.2 F g-1 at a current density of 0.5 A g-1 and 159.5 F g-1 at 20 A g-1). It also possesses 95.6% capacitance retention even after 10 000 cycles. Moreover, the all-printed solid-state flexible SC device exhibits a high area specific capacitance of 5.7 mF cm-2 and 80% capacitance retention even after 2000 cycles. It also shows high mechanical flexibility. Simultaneously, these printed SCs on different substrates in series are capable to light up a 1.9 V yellow light emitting diode (LED), even after bending and stretching.

  15. 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. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. 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

    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...

  17. Pressure-induced reversible amorphization and an amorphous-amorphous transition in Ge₂Sb₂Te₅ phase-change memory material.

    Science.gov (United States)

    Sun, Zhimei; Zhou, Jian; Pan, Yuanchun; Song, Zhitang; Mao, Ho-Kwang; Ahuja, Rajeev

    2011-06-28

    Ge(2)Sb(2)Te(5) (GST) is a technologically very important phase-change material that is used in digital versatile disks-random access memory and is currently studied for the use in phase-change random access memory devices. This type of data storage is achieved by the fast reversible phase transition between amorphous and crystalline GST upon heat pulse. Here we report pressure-induced reversible crystalline-amorphous and polymorphic amorphous transitions in NaCl structured GST by ab initio molecular dynamics calculations. We have showed that the onset amorphization of GST starts at approximately 18 GPa and the system become completely random at approximately 22 GPa. This amorphous state has a cubic framework (c-amorphous) of sixfold coordinations. With further increasing pressure, the c-amorphous transforms to a high-density amorphous structure with trigonal framework (t-amorphous) and an average coordination number of eight. The pressure-induced amorphization is investigated to be due to large displacements of Te atoms for which weak Te-Te bonds exist or vacancies are nearby. Upon decompressing to ambient conditions, the original cubic crystalline structure is restored for c-amorphous, whereas t-amorphous transforms to another amorphous phase that is similar to the melt-quenched amorphous GST.

  18. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation

    DEFF Research Database (Denmark)

    Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu

    2017-01-01

    The fundamental origins surrounding the dynamics of disordered solids near their characteristic glass transitions continue to be fiercely debated, even though a vast number of materials can form amorphous solids, including small-molecule organic, inorganic, covalent, metallic, and even large...... biological systems. The glass-transition temperature, Tg, can be readily detected by a diverse set of techniques, but given that these measurement modalities probe vastly different processes, there has been significant debate regarding the question of why Tg can be detected across all of them. Here we show...... clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been...

  19. Solid-state amorphization of a quenched high-pressure GaSb phase studied by real-time neutron diffraction: evolution of the crystalline phase.

    Science.gov (United States)

    Fedotov, V K; Barkalov, O I; Ponyatovsky, E G; Calvo-Dahlborg, M; Dahlborg, U; Hansen, T

    2009-01-28

    The amorphization of a quenched sample of the GaSb-II high-pressure phase was studied at ambient pressure by real-time neutron diffraction in the course of the sample heating from 100 K to room temperature at a rate of 0.4 K min(-1). The transformation to the amorphous state begins at 140 K and is completed near room temperature. The β-Sn type structure was shown to represent only the mean lattice of the high-pressure GaSb-II phase. The superstructure of this phase widely varied with temperature and is caused by the ordered displacement of atoms. The temperature range of the metastable crystalline phase relaxation is divided into three intervals according to the temperature dependence of the tetragonality ratio (c/a). At the boundaries of these temperature intervals, i.e. temperatures T = 170 and 230 K, two second-order phase transitions are observed. Anomalous heat and volumetric effects were observed earlier by means of calorimetry and dilatometry in the same temperature range. Variation of the β-Sn type crystal structure reflects the general tendency of ideal tetrahedral bond network recovery. All phase transformations observed were found to be irreversible.

  20. Study of the solid-state 'amorphization' reaction in Fe50Re50 by means of Moessbauer spectrometry and diffraction measurements

    International Nuclear Information System (INIS)

    Randrianantoandro, N.; Greneche, J.-M.; Cooper, R.J.; Cowlam, N.

    2002-01-01

    The solid-state 'amorphization' reaction produced by the mechanical alloying (MA) of the equiatomic alloy Fe 50 Re 50 has been studied using 57 Fe Moessbauer spectrometry plus x-ray and neutron diffraction. The percentages of iron atoms in the magnetic phases present in the reaction have been obtained from the Moessbauer spectra and the consumption of the parent elements derived from the reduction in intensity of their Bragg peaks in the diffraction patterns. The reaction in the Fe 50 Re 50 alloy appears to be 2-3 times slower than the reaction in the related Fe 58 Ta 42 alloy studied by us previously. A possible reason for this is the presence of an intermediate phase in the reaction revealed by the hyperfine structure at 57 Fe. This is identified as an iron-rich solid solution by the absence of any new Bragg peaks in the diffraction patterns. Although a small fraction of the rhenium remains unconsumed at the end of the reaction, the FeRe alloy obtained after 24 h of MA has a genuine amorphous structure, whose reduced radial distribution function G(r) is sensitive to the topological order present. (author)

  1. Understanding API-polymer proximities in amorphous stabilized composite drug products using fluorine-carbon 2D HETCOR solid-state NMR.

    Science.gov (United States)

    Abraham, Anuji; Crull, George

    2014-10-06

    A simple and robust method for obtaining fluorine-carbon proximities was established using a (19)F-(13)C heteronuclear correlation (HETCOR) two-dimensional (2D) solid-state nuclear magnetic resonance (ssNMR) experiment under magic-angle spinning (MAS). The method was applied to study a crystalline active pharmaceutical ingredient (API), avagacestat, containing two types of fluorine atoms and its API-polymer composite drug product. These results provide insight into the molecular structure, aid with assigning the carbon resonances, and probe API-polymer proximities in amorphous spray dried dispersions (SDD). This method has an advantage over the commonly used (1)H-(13)C HETCOR because of the large chemical shift dispersion in the fluorine dimension. In the present study, fluorine-carbon distances up to 8 Å were probed, giving insight into the API structure, crystal packing, and assignments. Most importantly, the study demonstrates a method for probing an intimate molecular level contact between an amorphous API and a polymer in an SDD, giving insights into molecular association and understanding of the role of the polymer in API stability (such as recrystallization, degradation, etc.) in such novel composite drug products.

  2. Amorphization of ice under mechanical stresses

    Science.gov (United States)

    Bordonskii, G. S.; Krylov, S. D.

    2017-11-01

    The dielectric parameters of freshly produced freshwater ice in the microwave range are investigated. It is established that this kind of ice contains a noticeable amount of amorphous ice. Its production is associated with plastic deformation under mechanical stresses. An assessment of the dielectric-permeability change caused by amorphous ice in the state of a slowly flowing medium is given.

  3. Formation mechanisms of oxygen atoms in the O(3PJ) state from the 157 nm photoirradiation of amorphous water ice at 90 K

    International Nuclear Information System (INIS)

    Hama, Tetsuya; Yabushita, Akihiro; Yokoyama, Masaaki; Kawasaki, Masahiro; Watanabe, Naoki

    2009-01-01

    Desorption of ground state O( 3 P J=2,1,0 ) atoms following the vacuum ultraviolet photolysis of water ice in the first absorption band was directly measured with resonance-enhanced multiphoton ionization (REMPI) method. Based on their translational energy distributions and evolution behavior, two different formation mechanisms are proposed: One is exothermic recombination reaction of OH radicals, OH+OH→H 2 O+O( 3 P J ) and the other is the photodissociation of OH radicals on the surface of amorphous solid water. The translational and internal energy distributions of OH radicals as well as the evolution behavior were also measured by REMPI to elucidate the roles of H 2 O 2 and OH in the O( 3 P J ) formation mechanisms.

  4. Transient photoconductivity in amorphous semiconductors

    International Nuclear Information System (INIS)

    Mpawenayo, P.

    1997-07-01

    Localized states in amorphous semiconductors are divided in disorder induced shallow trap levels and dangling bonds deep states. Dangling bonds are assumed here to be either neutral or charged and their energy distribution is a single gaussian. Here, it is shown analytically that transient photocurrent in amorphous semiconductors is fully controlled by charge carriers transitions between localized states for one part and tunneling hopping carriers on the other. Localized dangling bonds deep states act as non radiative recombination centres, while hopping tunnelling is assisted by the Coulomb interaction between defects sites. The half-width of defects distribution is the disorder parameter that determines the carrier hopping time between defects sites. The macroscopic time that explains the long decay response times observed will all types of amorphous semiconductors is duly thought to be temperature dependent. Basic equations developed by Longeaud and Kleider are solved for the general case of a semiconductor after photo-generation. It turns out that the transient photoconductivity decay has two components; one with short response times from carriers trap-release transitions between shallow levels and extended states and a hopping component made of inter-dependent exponentials whose time constants span in larger ranges depending on disorder. The photoconductivity hopping component appears as an additional term to be added to photocurrents derived from existing models. The results of the present study explain and complete the power law decay derived in the multiple trapping models developed 20 years ago only in the approximation of the short response time regime. The long response time regime is described by the hopping macroscopic time. The present model is verified for all samples of amorphous semiconductors known so far. Finally, it is proposed to improved the modulated photoconductivity calculation techniques by including the long-lasting hopping dark documents

  5. Photonic crystals, amorphous materials, and quasicrystals.

    Science.gov (United States)

    Edagawa, Keiichi

    2014-06-01

    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.

  6. Bulk amorphous Mg-based alloys

    DEFF Research Database (Denmark)

    Pryds, Nini

    2004-01-01

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

  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. Atomic structure and dehydration mechanism of amorphous silica: Insights from 29Si and 1H solid-state MAS NMR study of SiO2 nanoparticles

    Science.gov (United States)

    Kim, Hyun Na; Lee, Sung Keun

    2013-11-01

    Detailed knowledge of the atomic structure of hydrous species on surface of amorphous silica and the effect of temperature and particle size on their atomic configurations are essential to understand the nature of fluids-amorphous silicates interactions and the dehydration processes in the amorphous oxides. Here, we report the 29Si, 1H MAS, and 1H-29Si heteronuclear correlation (HetCor) NMR spectra of 7 nm and 14 nm amorphous silica nanoparticles—a model system for natural amorphous silica—where previously unknown details of changes in their atomic structures with varying dehydration temperature and particle size are revealed. Diverse hydroxyl groups with varying atomic configurations and molecular water apparently show distinct dehydration trends. The dehydration (i.e., removal of water) of amorphous silica nanoparticles mostly results in the increase of isolated silanol by removing water molecules from hydrogen-bonded silanols associated water molecules. With further increase in dehydration temperature, the intensity of isolated silanol peak decreases above ˜873 K, suggesting that the condensation of isolated silanol may occur mainly above ˜873 K. The entire dehydration (and dehydroxylation) process completes at ˜1473 K. Both the water (i.e., physisorbed water and hydrogen-bonded water) and hydrogen-bonded silanol species show a dramatic change in the slope of intensity variation at ˜873 K, indicating that most of silanols is hydrogen-bonded to water rather than to other silanols. The fraction of hydrogen-bonded proton species is also much smaller in 14 nm amorphous silica nanoparticles than in 7 nm amorphous silica nanoparticles mainly due to the presences of larger fractions of water and hydrogen-bonded silanol species. 29Si NMR results show that with increasing dehydration temperature, the fraction of Q4 species apparently increases at the expense of Q2 and Q3 species. The fractions of Q2 and Q3 structures in 7 nm amorphous silica nanoparticles are

  9. Non-destructive inspection approach using ultrasound to identify the material state for amorphous and semi-crystalline materials

    Science.gov (United States)

    Jost, Elliott; Jack, David; Moore, David

    2018-04-01

    At present, there are many methods to identify the temperature and phase of a material using invasive techniques. However, most current methods require physical contact or implicit methods utilizing light reflectance of the specimen. This work presents a nondestructive inspection method using ultrasonic wave technology that circumvents these disadvantages to identify phase change regions and infer the temperature state of a material. In the present study an experiment is performed to monitor the time of flight within a wax as it undergoes melting and the subsequent cooling. Results presented in this work show a clear relationship between a material's speed of sound and its temperature. The phase change transition of the material is clear from the time of flight results, and in the case of the investigated material, this change in the material state occurs over a range of temperatures. The range of temperatures over which the wax material melts is readily identified by speed of sound represented as a function of material temperature. The melt temperature, obtained acoustically, is validated using Differential Scanning Calorimetry (DSC), which uses shifts in heat flow rates to identify phase transition temperature ranges. The investigated ultrasonic NDE method has direct applications in many industries, including oil and gas, food and beverage, and polymer composites, in addition to many implications for future capabilities of nondestructive inspection of multi-phase materials.

  10. Amorphous-crystalline transition in thermoelectric NbO2

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  11. Hydrogen in amorphous silicon

    International Nuclear Information System (INIS)

    Peercy, P.S.

    1980-01-01

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

  12. 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

  13. Amorphization within the tablet

    DEFF Research Database (Denmark)

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

    2017-01-01

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

  14. Stages in the interaction of deuterium atoms with amorphous hydrogenated carbon films: Isotope exchange, soft-layer formation, and steady-state erosion

    Science.gov (United States)

    Oehrlein, G. S.; Schwarz-Selinger, T.; Schmid, K.; Schlüter, M.; Jacob, W.

    2010-08-01

    We report studies of the interactions of quantified deuterium (hydrogen) atom beams with hard amorphous hydrogenated carbon films at a substrate temperature of ˜330 K in an ultrahigh-vacuum chamber. The modification/erosion of a-C:H (a-C:D) films was monitored in situ by ellipsometry in real time. By interpreting the ellipsometric information and combining it with measurements of the absolute D areal density changes in the a-C:H (a-C:D) films by ion beam analysis as a function of D (H) atom fluence, we are able to distinguish three sequential stages of D interaction with hard a-C:H films. The first stage is replacement of bonded hydrogen by deuterium up to an areal density of ˜5×1015 D cm-2 to a depth of ˜1.4 nm from the surface. This phase is complete after a deuterium fluence of ≈2×1018 cm-2. The effective cross section for isotopic exchange of H with D atoms for the a-C:H layer is found to be σ =2.0×10-18 cm2, and is close to the cross section for H abstraction from a carbon surface. This may indicate that H abstraction by D from the a-C:H surface is the rate limiting step for isotope exchange in this situation. Hydrogen replacement is followed by creation of additional C-D bonds in the near-surface region and increases the D areal density by about 2.5×1015 D cm-2. By ellipsometry this process can be observed as the formation of a soft a-C:D layer on top of the hard a-C:H bulk film, with the soft layer extending about 1.4 nm from the surface. This stage is complete after a deuterium fluence of about 2×1019 cm-2. Subsequently, steady-state erosion of the a-C:H film takes place. Here, a soft a-C:D layer with roughly constant thickness (˜1.4 nm) remains on the hard a-C:H substrate and is dynamically reformed as the underlying hard a-C:H film becomes thinner. A similar sequence of processes takes place at a substrate temperature of 650 K, albeit at a much faster rate.

  15. Ab initio simulation of amorphous silicon

    International Nuclear Information System (INIS)

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

    1999-01-01

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

  16. Structural amorphous steels

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  17. Studies of hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Bishop, S G; Carlos, W E

    1984-07-01

    This report discusses the results of probing the defect structure and bonding of hydrogenated amorphous silicon films using both nuclear magnetic resonance (NMR) and electron spin resonance (ESR). The doping efficiency of boron in a-Si:H was found to be less than 1%, with 90% of the boron in a threefold coordinated state. On the other hand, phosphorus NMR chemical shift measurements yielded a ration of threefold to fourfold P sites of roughly 4 to 1. Various resonance lines were observed in heavily boron- and phosphorus-doped films and a-SiC:H alloys. These lines were attributed to band tail states on twofold coordinated silicon. In a-SiC:H films, a strong resonance was attributed to dangling bonds on carbon atoms. ESR measurements on low-pressure chemical-vapor-deposited (LPCVD) a-Si:H were performed on samples. The defect density in the bulk of the films was 10/sup 17//cc with a factor of 3 increase at the surface of the sample. The ESR spectrum of LPCVD-prepared films was not affected by prolonged exposure to strong light. Microcrystalline silicon samples were also examined. The phosphorus-doped films showed a strong signal from the crystalline material and no resonance from the amorphous matrix. This shows that phosphorus is incorporated in the crystals and is active as a dopant. No signal was recorded from the boron-doped films.

  18. Amorphization kinetics of Zr3Fe under electron irradiation

    International Nuclear Information System (INIS)

    Motta, A.T.; Howe, L.M.; Okamoto, P.R.

    1994-11-01

    Previous investigations using 40 Ar ion bombardments have revealed that Zr 3 Fe, which has an orthorhombic crystal structure, undergoes an irradiation-induced transformation from the crystalline to the amorphous state. In the present investigation, 0.9 MeV electron irradiations were performed at 28 - 220 K in a high-voltage electron microscope (HVEM). By measuring the onset, spread and final size of the amorphous region, factoring in the Gaussian distribution of the beam, a kinetic description of the amorphization in terms of dose, dose rate and temperature was obtained. The critical temperature for amorphization by electron irradiation was found to be ∼ 220 K, compared with 570 - 625 K for 40 Ar ion irradiation. Also, the dose-to-amorphization increased exponentially with temperature. Results indicated that the rate of growth of the amorphous region under the electron beam decreased with increasing temperature and the dose-to-amorphization decreased with increasing dose rate. The size of the amorphous region saturated after a given dose, the final size decreasing with increasing temperature, and it is argued that this is related to the existence of a critical dose rate, which increases with temperature, and below which no amorphization occurs. (author). 26 refs., 6 figs

  19. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    weak (strained) Si–Si bond thereby apparently enhancing the hydrogen diffusion and increasing the light-induced dangling bonds. Keywords. Hydrogenated amorphous silicon; metastable electronic states; hydrogen diffusion. PACS Nos 61.43.Dq; 66.30.-h; 71.23.Cq. 1. Introduction. Hydrogen passivation of dangling bonds ...

  20. The Structure of Liquid and Amorphous Hafnia

    Directory of Open Access Journals (Sweden)

    Leighanne C. Gallington

    2017-11-01

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

  1. Fabrication and application of amorphous semiconductor devices

    International Nuclear Information System (INIS)

    Kumurdjian, Pierre.

    1976-01-01

    This invention concerns the design and manufacture of elecric switching or memorisation components with amorphous semiconductors. As is known some compounds, particularly the chalcogenides, have a resistivity of the semiconductor type in the amorphous solid state. These materials are obtained by the high temperature homogeneisation of several single elements such as tellurium, arsenic, germanium and sulphur, followed by water or air quenching. In particular these compounds have useful switching and memorisation properties. In particular they have the characteristic of not suffering deterioration when placed in an environment subjected to nuclear radiations. In order to know more about the nature and properties of these amorphous semiconductors the French patent No. 71 28048 of 30 June 1971 may be consulted with advantage [fr

  2. Vortex states near absolute zero in a weak-pinning amorphous Mo x Ge1-x film probed by pulsed mode-locking resonance

    Science.gov (United States)

    Sohara, N.; Ochi, A.; Murakami, E.; Ienaga, K.; Kaneko, S.; Kokubo, N.; Okuma, S.

    2017-07-01

    We have developed measurements of the mode-locking (ML) resonance with pulsed currents, which generates much less heat than the conventional one with continuous currents. Here, we present the experimental details of the pulsed ML measurement. Using this technique, we have succeeded in determining the dynamic melting field of a driven vortex lattice for a weak-pinning thick amorphous Mo x Ge1-x film down to 0.05 K. We construct an ideal vortex phase diagram in the absence of pinning near zero temperature as a function of magnetic field.

  3. Amorphous Semiconductor Alloys

    Science.gov (United States)

    Madan, Arun

    1985-08-01

    Amorphous silicon (a-Si) based alloys have attracted a considerable amount of interest because of their applications in a wide variety of technologies. However, the major effort has concentrated on inexpensive photovoltaic device applications and has moved from a laboratory curiosity in the early 1970's to viable commercial applications in the 1980's. Impressive progress in this field has been made since the group at University of Dundee demonstrated that a low defect, device quality hydrogenated amorphous silicon (a-Si:H) 12 material could be produced using the radio frequency (r.f.) glow discharge in SiH4 gas ' and that the material could be doped n- and p-type.3 These results spurred a worldwide interest in a-Si based alloys, especially for photovoltaic devices which has resulted in a conversion efficiency approaching 12%. There is now a quest for even higher conversion efficiencies by using the multijunction cell approach. This necessitates the synthesis of new materials of differing bandgaps, which in principle amorphous semiconductors can achieve. In this article, we review some of this work and consider from a device and a materials point of view the hurdles which have to be overcome before this type of concept can be realized.

  4. 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.

  5. Two orders of magnitude enhancement in oxygen evolution reactivity on amorphous Ba0.5Sr0.5Co0.8Fe0.2O3-δnanofilms with tunable oxidation state.

    Science.gov (United States)

    Chen, Gao; Zhou, Wei; Guan, Daqin; Sunarso, Jaka; Zhu, Yanping; Hu, Xuefeng; Zhang, Wei; Shao, Zongping

    2017-06-01

    Perovskite oxides exhibit potential for use as electrocatalysts in the oxygen evolution reaction (OER). However, their low specific surface area is the main obstacle to realizing a high mass-specific activity that is required to be competitive against the state-of-the-art precious metal-based catalysts. We report the enhanced performance of Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3-δ (BSCF) for the OER with intrinsic activity that is significantly higher than that of the benchmark IrO 2 , and this result was achieved via fabrication of an amorphous BSCF nanofilm on a surface-oxidized nickel substrate by magnetron sputtering. The surface nickel oxide layer of the Ni substrate and the thickness of the BSCF film were further used to tune the intrinsic OER activity and stability of the BSCF catalyst by optimizing the electronic configuration of the transition metal cations in BSCF via the interaction between the nanofilm and the surface nickel oxide, which enables up to 315-fold enhanced mass-specific activity compared to the crystalline BSCF bulk phase. Moreover, the amorphous BSCF-Ni foam anode coupled with the Pt-Ni foam cathode demonstrated an attractive small overpotential of 0.34 V at 10 mA cm -2 for water electrolysis, with a BSCF loading as low as 154.8 μg cm -2 .

  6. Two orders of magnitude enhancement in oxygen evolution reactivity on amorphous Ba0.5Sr0.5Co0.8Fe0.2O3−δ nanofilms with tunable oxidation state

    Science.gov (United States)

    Chen, Gao; Zhou, Wei; Guan, Daqin; Sunarso, Jaka; Zhu, Yanping; Hu, Xuefeng; Zhang, Wei; Shao, Zongping

    2017-01-01

    Perovskite oxides exhibit potential for use as electrocatalysts in the oxygen evolution reaction (OER). However, their low specific surface area is the main obstacle to realizing a high mass-specific activity that is required to be competitive against the state-of-the-art precious metal–based catalysts. We report the enhanced performance of Ba0.5Sr0.5Co0.8Fe0.2O3−δ (BSCF) for the OER with intrinsic activity that is significantly higher than that of the benchmark IrO2, and this result was achieved via fabrication of an amorphous BSCF nanofilm on a surface-oxidized nickel substrate by magnetron sputtering. The surface nickel oxide layer of the Ni substrate and the thickness of the BSCF film were further used to tune the intrinsic OER activity and stability of the BSCF catalyst by optimizing the electronic configuration of the transition metal cations in BSCF via the interaction between the nanofilm and the surface nickel oxide, which enables up to 315-fold enhanced mass-specific activity compared to the crystalline BSCF bulk phase. Moreover, the amorphous BSCF–Ni foam anode coupled with the Pt–Ni foam cathode demonstrated an attractive small overpotential of 0.34 V at 10 mA cm−2 for water electrolysis, with a BSCF loading as low as 154.8 μg cm−2. PMID:28691090

  7. The Electronic Structure of Amorphous Carbon Nanodots.

    Science.gov (United States)

    Margraf, Johannes T; Strauss, Volker; Guldi, Dirk M; Clark, Timothy

    2015-06-18

    We have studied hydrogen-passivated amorphous carbon nanostructures with semiempirical molecular orbital theory in order to provide an understanding of the factors that affect their electronic properties. Amorphous structures were first constructed using periodic calculations in a melt/quench protocol. Pure periodic amorphous carbon structures and their counterparts doped with nitrogen and/or oxygen feature large electronic band gaps. Surprisingly, descriptors such as the elemental composition and the number of sp(3)-atoms only influence the electronic structure weakly. Instead, the exact topology of the sp(2)-network in terms of effective conjugation defines the band gap. Amorphous carbon nanodots of different structures and sizes were cut out of the periodic structures. Our calculations predict the occurrence of localized electronic surface states, which give rise to interesting effects such as amphoteric reactivity and predicted optical band gaps in the near-UV/visible range. Optical and electronic gaps display a dependence on particle size similar to that of inorganic colloidal quantum dots.

  8. Measurement of the saturation magnetostriction constant of amorphous wire

    International Nuclear Information System (INIS)

    Mitra, A.; Vazquez, M.

    1990-01-01

    Measurement of the magnetostriction constant of amorphous wire by conventional techniques is very difficult because of its small diameter. However, accurate determination of the magnetostriction constant is important in the study of amorphous wires. Here the saturation magnetostriction constant (λ s ) for a low-magnetostriction amorphous wire of nominal composition (Fe 6.3 Co 92.7 Nb 1 ) 77.5 Si 7.5 B 15 has been determined by means of the small-angle magnetization-rotation method. λ s has been evaluated to be 2.1x10 -7 for its as-received state. The dependence of thermal treatment is also reported

  9. Directional amorphization of boron carbide subjected to laser shock compression.

    Science.gov (United States)

    Zhao, Shiteng; Kad, Bimal; Remington, Bruce A; LaSalvia, Jerry C; Wehrenberg, Christopher E; Behler, Kristopher D; Meyers, Marc A

    2016-10-25

    Solid-state shock-wave propagation is strongly nonequilibrium in nature and hence rate dependent. Using high-power pulsed-laser-driven shock compression, unprecedented high strain rates can be achieved; here we report the directional amorphization in boron carbide polycrystals. At a shock pressure of 45∼50 GPa, multiple planar faults, slightly deviated from maximum shear direction, occur a few hundred nanometers below the shock surface. High-resolution transmission electron microscopy reveals that these planar faults are precursors of directional amorphization. It is proposed that the shear stresses cause the amorphization and that pressure assists the process by ensuring the integrity of the specimen. Thermal energy conversion calculations including heat transfer suggest that amorphization is a solid-state process. Such a phenomenon has significant effect on the ballistic performance of B 4 C.

  10. Directional amorphization of boron carbide subjected to laser shock compression

    Science.gov (United States)

    Zhao, Shiteng; Kad, Bimal; Remington, Bruce A.; LaSalvia, Jerry C.; Wehrenberg, Christopher E.; Behler, Kristopher D.; Meyers, Marc A.

    2016-10-01

    Solid-state shock-wave propagation is strongly nonequilibrium in nature and hence rate dependent. Using high-power pulsed-laser-driven shock compression, unprecedented high strain rates can be achieved; here we report the directional amorphization in boron carbide polycrystals. At a shock pressure of 45˜50 GPa, multiple planar faults, slightly deviated from maximum shear direction, occur a few hundred nanometers below the shock surface. High-resolution transmission electron microscopy reveals that these planar faults are precursors of directional amorphization. It is proposed that the shear stresses cause the amorphization and that pressure assists the process by ensuring the integrity of the specimen. Thermal energy conversion calculations including heat transfer suggest that amorphization is a solid-state process. Such a phenomenon has significant effect on the ballistic performance of B4C.

  11. Intrinsic electron trapping in amorphous oxide

    Science.gov (United States)

    Strand, Jack; Kaviani, Moloud; Afanas’ev, Valeri V.; Lisoni, Judit G.; Shluger, Alexander L.

    2018-03-01

    We demonstrate that electron trapping at intrinsic precursor sites is endemic in non-glass-forming amorphous oxide films. The energy distributions of trapped electron states in ultra-pure prototype amorphous (a)-HfO2 insulator obtained from exhaustive photo-depopulation experiments demonstrate electron states in the energy range of 2–3 eV below the oxide conduction band. These energy distributions are compared to the results of density functional calculations of a-HfO2 models of realistic density. The experimental results can be explained by the presence of intrinsic charge trapping sites formed by under-coordinated Hf cations and elongated Hf–O bonds in a-HfO2. These charge trapping states can capture up to two electrons, forming polarons and bi-polarons. The corresponding trapping sites are different from the dangling-bond type defects responsible for trapping in glass-forming oxides, such as SiO2, in that the traps are formed without bonds being broken. Furthermore, introduction of hydrogen causes formation of somewhat energetically deeper electron traps when a proton is immobilized next to the trapped electron bi-polaron. The proposed novel mechanism of intrinsic charge trapping in a-HfO2 represents a new paradigm for charge trapping in a broad class of non-glass-forming amorphous insulators.

  12. Superconducting and normal properties of metallic amorphous systems

    International Nuclear Information System (INIS)

    Esquinazi, P.D.

    1983-02-01

    The superconducting and transport properties (superconducing critical temperature, superconducting critical currents, electric resistivity and thermal conductivity) of the amorphous alloys La 70 Cu 30 and Zr 70 Cu 30 prepared by melt spinning have been investigated. The modification of these properties when, the initial amorphous metals relax to other metastable state under thermal treatment at below crystallization temperatures, have also been studied. (M.E.L.) [es

  13. Amorphous Gyroscopic Topological Metamaterials

    Science.gov (United States)

    Mitchell, Noah P.; Nash, Lisa M.; Hexner, Daniel; Turner, Ari M.; Irvine, William T. M.

    Mechanical topological metamaterials display striking mechanical responses, such as unidirectional surface modes that are impervious to disorder. This behavior arises from the topology of their vibrational spectra. All examples of topological metamaterials to date are finely-tuned structures such as crystalline lattices or jammed packings. Here, we present robust recipes for building amorphous topological metamaterials with arbitrary underlying structure and no long-range order. Using interacting gyroscopes as a model system, we demonstrate through experiment, simulation, and theoretical methods that the local geometry and interactions are sufficient to generate topological mobility gaps, allowing for spatially-resolved, real-space calculations of the Chern number. The robustness of our approach enables the design and self-assembly of non-crystalline materials with protected, unidirectional waveguides on the micro and macro scale.

  14. The sorption induced glass transition in amorphous glassy polymers

    NARCIS (Netherlands)

    van der Vegt, N.F.A.; Wessling, Matthias; Strathmann, H.; Briels, Willem J.

    1999-01-01

    Sorption of CO2 in both the glassy and the rubbery state of an amorphous polyethylenelike polymer was investigated using molecular dynamics simulations. The temperature was chosen such that the system was in its glassy state at low solute concentrations and its rubbery state at large solute

  15. Structural morphology of amorphous conducting carbon film

    Indian Academy of Sciences (India)

    Unknown

    been found to be having a lot of technological applica- tions. The properties of these amorphous carbons sensi- tively depend on the relative concentration of sp3 and sp2 hybridized carbons. The resulting amorphous materials are variously referred to as tetrahedral amorphous carbon. (ta-C), amorphous carbon (a-C), ...

  16. 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...

  17. Anomalous magnetoresistance in amorphous metals

    International Nuclear Information System (INIS)

    Kuz'menko, V.M.; Vladychkin, A.N.; Mel'nikov, V.I.; Sudovtsev, A.I.

    1984-01-01

    The magnetoresistance of amorphous Bi, Ca, V and Yb films is investigated in fields up to 4 T at low temperatures. For all metals the magnetoresistance is positive, sharply decreases with growth of temperature and depends anomalously on the magnetic field strength. For amorphous superconductors the results agree satisfactorily with the theory of anomalous magnetoresistance in which allowance is made for scattering of electrons by the superconducting fluctuations

  18. Self-consistent modeling of amorphous silicon devices

    International Nuclear Information System (INIS)

    Hack, M.

    1987-01-01

    The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity

  19. Nitrosyl isomerism in amorphous Mn(TPP)(NO) solids.

    Science.gov (United States)

    Kurtikyan, Tigran S; Hayrapetyan, Vardan A; Martirosyan, Garik G; Ghazaryan, Robert K; Iretskii, Alexei V; Zhao, Hailiang; Pierloot, Kristine; Ford, Peter C

    2012-12-25

    Reaction of NO with amorphous Mn(TPP) layers gives two Mn(TPP)(NO) isomers with linear and bent Mn-N-O geometries that reversibly interconvert with changes in temperature. DFT computations predict that the linear complex is the singlet ground state while the bent structure is a triplet state.

  20. Hydrogenated amorphous silicon photonics

    Science.gov (United States)

    Narayanan, Karthik

    2011-12-01

    Silicon Photonics is quickly proving to be a suitable interconnect technology for meeting the future goals of on-chip bandwidth and low power requirements. However, it is not clear how silicon photonics will be integrated into CMOS chips, particularly microprocessors. The issue of integrating photonic circuits into electronic IC fabrication processes to achieve maximum flexibility and minimum complexity and cost is an important one. In order to minimize usage of chip real estate, it will be advantageous to integrate in three-dimensions. Hydrogenated amorphous silicon (a-Si:H) is emerging as a promising material for the 3-D integration of silicon photonics for on-chip optical interconnects. In addition, a-Si:H film can be deposited using CMOS compatible low temperature plasma-enhanced chemical vapor deposition (PECVD) process at any point in the fabrication process allowing maximum flexibility and minimal complexity. In this thesis, we demonstrate a-Si:H as a high performance alternate platform to crystalline silicon, enabling backend integration of optical interconnects in a hybrid photonic-electronic network-on-chip architecture. High quality passive devices are fabricated on a low-loss a-Si:H platform enabling wavelength division multiplexing schemes. We demonstrate a broadband all-optical modulation scheme based on free-carrier absorption effect, which can enable compact electro-optic modulators in a-Si:H. Furthermore, we comprehensively characterize the optical nonlinearities in a-Si:H and observe that a-Si:H exhibits enhanced nonlinearities as compared to crystalline silicon. Based on the enhanced nonlinearities, we demonstrate low-power four-wave mixing in a-Si:H waveguides enabling high speed all-optical devices in an a-Si:H platform. Finally, we demonstrate a novel data encoding scheme using thermal and all-optical tuning of silicon waveguides, increasing the spectral efficiency in an interconnect link.

  1. Room-Temperature High-Efficiency Solid-State Triplet-Triplet Annihilation Up-Conversion in Amorphous Poly(olefin sulfone)s.

    Science.gov (United States)

    Turshatov, Andrey; Busko, Dmitry; Kiseleva, Natalia; Grage, Stephan L; Howard, Ian A; Richards, Bryce S

    2017-03-08

    Triplet-triplet annihilation up-conversion (TTA-UC) is a developing technology that can enable spectral conversion under sunlight. Previously, it was found that efficient TTA-UC can be realized in polymer hosts for temperatures above the polymer's glass transition (T > T g ). In contrast, TTA-UC with high quantum yield for temperatures below T g is rarely reported. In this article, we report new polymer hosts in which efficient TTA-UC is observed well below T g , when the polymer is in a fully solid state. The four poly(olefin sulfone) hosts were loaded with upconversion dyes, and absolute quantum yields of TTA-UC (η TTA-UC ) were measured. The highest value of η TTA-UC = 2.1% was measured for poly(1-dodecene sulfone). Importantly, this value was the same in vacuum and at ambient conditions, indicating that the host material acts as a good oxygen barrier. We performed time-resolved luminescence experiments in order to elucidate the impact of elementary steps of TTA-UC. In addition to optical characterization, we used magic angle spinning solid-state NMR experiments to estimate the T2 transverse relaxation time. Relatively long T2 times measured for poly(olefin sulfone)s indicate an enhanced nanoscale fluidity in the studied (co)polymers, which unexpectedly coexists with a rigidity on the macroscale. This would explain the exceptional triplet energy transfer between the guest molecules, despite the macroscopic rigidity.

  2. Atomic Distribution in Catalytic Amorphous Metals

    Directory of Open Access Journals (Sweden)

    Sanghita Mridha

    2015-01-01

    Full Text Available The atomic distribution in catalytically active metallic glass alloys, Pd43Cu27Ni10P20 and Pt57.5Cu14.7Ni5.3P22.5, was investigated using three-dimensional atom probe microscopy. Atom probe analysis showed uniform distribution of constituent elements for both the starting amorphous alloys, with no phase separation. Both the crystallized alloys showed eutectic microstructure with a very sharp interface (~0.5 nm as determined from atom probe. The atomic distribution in the devitrified state is explained based on the “fragile liquid” behavior for these noble-metal glassy alloys.

  3. 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.

  4. 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.

  5. 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

  6. Generalized melting criterion for beam-induced amorphization

    International Nuclear Information System (INIS)

    Lam, N. Q.; Okamoto, Paul R.

    1993-09-01

    Recent studies have shown that the mean-square static atomic displacements provide a generic measure of the enthalpy stored in the lattice in the form of chemical and topological disorder, and that the effect of the displacements on the softening of shear elastic constants is identical to that of heating. This finding lends support to a generalized form of the Lindemann phenomenological melting criterion and leads to a natural interpretion of crystalline-to-amorphous transformations as defect-induced melting of metastable crystals driven beyond a critical state of disorder where the melting temperature falls below the glass-transition temperature. Application of the generalized Lindemann criterion to both the crystalline and amorphous phases indicates that the enthalpies of the two phases become identical when their shear moduli become equal. This thermo-elastic rule provides a basis for predicting the relative susceptibility of compounds to amorphization in terms of their elastic properties as measured by Debye temperatures. The present approach can explain many of the basic findings on beam-induced amorphization of intermetallic compounds as well as amorphous phase formation associated with ion implantation, ion-beam mixing and other solid-state processes

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

    NARCIS (Netherlands)

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

    2014-01-01

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

  8. Reactive diffusion in amorphous Fe-B and Co-Zr multilayer films

    International Nuclear Information System (INIS)

    Stobiecki, F.

    1989-01-01

    The diffusion in Fe 1-x B x /Fe 1-y B y and Co 1-x Zr x /Co 1-y Zr y amorphous bi- and multilayers was investigated. The dependence of the diffusion coefficient on concentration was observed. This effect is explained taking into account the concentration dependence of mixing enthalpy correlated with chemical short range order in the amorphous state

  9. Amorphous nanoparticles — Experiments and computer simulations

    International Nuclear Information System (INIS)

    Hoang, Vo Van; Ganguli, Dibyendu

    2012-01-01

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

  10. Model for amorphous aggregation processes

    Science.gov (United States)

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

    2009-11-01

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

  11. Amorphous metal matrix composite ribbons

    International Nuclear Information System (INIS)

    Barczy, P.; Szigeti, F.

    1998-01-01

    Composite ribbons with amorphous matrix and ceramic (SiC, WC, MoB) particles were produced by modified planar melt flow casting methods. Weldability, abrasive wear and wood sanding examinations were carried out in order to find optimal material and technology for elevated wear resistance and sanding durability. The correlation between structure and composite properties is discussed. (author)

  12. 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

  13. Fracture Phenomena in Amorphous Selenium

    DEFF Research Database (Denmark)

    Lindegaard-Andersen, Asger; Dahle, Birgit

    1966-01-01

    Fracture surfaces of amorphous selenium broken in flexure at room temperature have been studied. The fracture velocity was found to vary in different regions of the fracture surface. Peculiar features were observed in a transition zone between fast and slower fracture. In this zone cleavage steps...

  14. Structure of amorphous sulfur

    CSIR Research Space (South Africa)

    Eichinger, BE

    2001-06-01

    Full Text Available -transition is best described as a gelation transition. The geometry of the tetravalent S atom is trigonal bipyramidal, with a lone pair occupying one of the three equatorial sites; it lies in a local energy minimum about 31 kcal/mol above the normal divalent state...

  15. Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

    NARCIS (Netherlands)

    Torricelli, Gauthier; van Zwol, Peter J.; Shpak, Olex; Palasantzas, George; Svetovoy, Vitaly B.; Binns, Chris; Kooi, Bart J.; Jost, Peter; Wuttig, Matthias

    2012-01-01

    Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a significant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and non-volatile

  16. Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

    NARCIS (Netherlands)

    Torrichelli, G.; van Zwol, P.J.; Shpak, O.; Palasantzas, G.; Svetovoy, Vitaly; Binns, C.; Kooi, B.J.; Jost, P.; Wittig, M.

    2012-01-01

    Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a signifi cant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and nonvolatile

  17. Crystallization characteristics of amorphous alloys of FeZr

    International Nuclear Information System (INIS)

    Rozhan, M. Idrus; Grundy, P.J.

    1993-01-01

    The crystallization characteristics of sputter-deposited amorphous alloys of Fe 100-x Zr x prepared at zirconium concentrations between 9 and 89 at.% was investigated. The transformation of the alloys from the amorphous to the crystalline state has been examined by thermal analysis, electrical resistance and X-ray diffraction. The crystallization temperatures were determined by differential scanning calorimetry (DSC) and electrical resistance as a function of temperature. The final phases were determined by X-ray diffraction. The activation energies were calculated from the Kissinger plots and the heats of crystallization were calculated and correlations between the thermal analysis and the resistance results are presented

  18. Properties of amorphous FeCoB alloy particles (abstract)

    DEFF Research Database (Denmark)

    Charles, S. W.; Wells, S.; Meagher, A.

    1988-01-01

    Amorphous and crystalline alloy particles (0.05–0.5 nm) of FexCoyBz in which the ratio x:y ranges from 0 to 1 have been prepared by the borohydride reduction of iron and cobalt salts in aqueous solution. The structure of the particles has been studied using Mössbauer spectroscopy and x......-ray diffraction. Magnetic measurements of the saturation magnetization, coercivity, and remanence of the particles have been measured. The transition from the amorphous-to-crystalline state has been studied using differential scanning calorimetry (DSC) and thermomagnetometry up to a temperature of 450 °C (see Fig...

  19. Theory of amorphous packings of binary mixtures of hard spheres.

    Science.gov (United States)

    Biazzo, Indaco; Caltagirone, Francesco; Parisi, Giorgio; Zamponi, Francesco

    2009-05-15

    We extend our theory of amorphous packings of hard spheres to binary mixtures and more generally to multicomponent systems. The theory is based on the assumption that amorphous packings produced by typical experimental or numerical protocols can be identified with the infinite pressure limit of long-lived metastable glassy states. We test this assumption against numerical and experimental data and show that the theory correctly reproduces the variation with mixture composition of structural observables, such as the total packing fraction and the partial coordination numbers.

  20. Amorphous graphene: a realization of Zachariasen’s glass

    International Nuclear Information System (INIS)

    Kumar, Avishek; Thorpe, M F; Wilson, Mark

    2012-01-01

    Amorphous graphene is a realization of a two-dimensional Zachariasen glass as first proposed 80 years ago. Planar continuous random networks of this archetypal two-dimensional network are generated by two complementary simulation methods. In the first, a Monte Carlo bond switching algorithm is employed to systematically amorphize a crystalline graphene sheet. In the second, molecular dynamics simulations are utilized to quench from the high temperature liquid state. The two approaches lead to similar results as detailed here, through the pair distribution function and the associated diffraction pattern. Details of the structure, including ring statistics and angular distortions, are shown to be sensitive to preparation conditions, and await experimental confirmation.

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

    International Nuclear Information System (INIS)

    Narayan, Jagdish; Bhaumik, Anagh

    2015-01-01

    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

  2. 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.

  3. Thermodynamics, molecular mobility and crystallization kinetics of amorphous griseofulvin.

    Science.gov (United States)

    Zhou, Deliang; Zhang, Geoff G Z; Law, Devalina; Grant, David J W; Schmitt, Eric A

    2008-01-01

    Griseofulvin is a small rigid molecule that shows relatively high molecular mobility and small configurational entropy in the amorphous phase and tends to readily crystallize from both rubbery and glassy states. This work examines the crystallization kinetics and mechanism of amorphous griseofulvin and the quantitative correlation between the rate of crystallization and molecular mobility above and below Tg. Amorphous griseofulvin was prepared by rapidly quenching the melt in liquid N2. The thermodynamics and dynamics of amorphous phase were then characterized using a combination of thermal analysis techniques. After characterization of the amorphous phase, crystallization kinetics above Tg were monitored by isothermal differential scanning calorimetry (DSC). Transformation curves for crystallization fit a second-order John-Mehl-Avrami (JMA) model. Crystallization kinetics below Tg were monitored by powder X-ray diffraction and fit to the second-order JMA model. Activation energies for crystallization were markedly different above and below Tg suggesting a change in mechanism. In both cases molecular mobility appeared to be partially involved in the rate-limiting step for crystallization, but the extent of correlation between the rate of crystallization and molecular mobility was different above and below Tg. A lower extent of correlation below Tg was observed which does not appear to be explained by the molecular mobility alone and the diminishing activation energy for crystallization suggests a change in the mechanism of crystallization.

  4. 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

  5. Plasma deposition of amorphous silicon-based materials

    CERN Document Server

    Bruno, Giovanni; Madan, Arun

    1995-01-01

    Semiconductors made from amorphous silicon have recently become important for their commercial applications in optical and electronic devices including FAX machines, solar cells, and liquid crystal displays. Plasma Deposition of Amorphous Silicon-Based Materials is a timely, comprehensive reference book written by leading authorities in the field. This volume links the fundamental growth kinetics involving complex plasma chemistry with the resulting semiconductor film properties and the subsequent effect on the performance of the electronic devices produced. Key Features * Focuses on the plasma chemistry of amorphous silicon-based materials * Links fundamental growth kinetics with the resulting semiconductor film properties and performance of electronic devices produced * Features an international group of contributors * Provides the first comprehensive coverage of the subject, from deposition technology to materials characterization to applications and implementation in state-of-the-art devices.

  6. Molecular simulation of freestanding amorphous nickel thin films

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-10-31

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

  7. Amorphous silicon crystalline silicon heterojunction solar cells

    CERN Document Server

    Fahrner, Wolfgang Rainer

    2013-01-01

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

  8. Aluminium base amorphous and crystalline alloys with Fe impurity

    International Nuclear Information System (INIS)

    Sitek, J.; Degmova, J.

    2006-01-01

    Aluminium base alloys show remarkable mechanical properties, however their low thermal stability still limits the technological applications. Further improvement of mechanical properties can be reached by partial crystallization of amorphous alloys, which gives rise to nanostructured composites. Our work was focused on aluminium based alloys with Fe, Nb and V additions. Samples of nominal composition Al 90 Fe 7 Nb 3 and Al 94 Fe 2 V 4 were studied in amorphous state and after annealing up to 873 K. From Moessbauer spectra taken on the samples in amorphous state the value of f-factor was determined as well as corresponding Debye temperatures were calculated. Annealing at higher temperatures induced nano and microcrystalline crystallization. Moessbauer spectra of samples annealed up to 573 K are fitted only by distribution of quadrupole doublets corresponding to the amorphous state. An increase of annealing temperature leads to the structural transformation, which consists in growth of nanometer sized aluminium nuclei. This is partly reflected in Moessbauer parameters. After annealing at 673 K intermetallic phase Al 3 Fe and other Al-Fe phases are created. In this case Moessbauer spectra are fitted by quadrupole doublets. During annealing up to 873 K large grains of Fe-Al phases are created. (authors)

  9. Traveling cluster approximation for uncorrelated amorphous systems

    International Nuclear Information System (INIS)

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

    1985-01-01

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

  10. Memristive effects in oxygenated amorphous carbon nanodevices

    Science.gov (United States)

    Bachmann, T. A.; Koelmans, W. W.; Jonnalagadda, V. P.; Le Gallo, M.; Santini, C. A.; Sebastian, A.; Eleftheriou, E.; Craciun, M. F.; Wright, C. D.

    2018-01-01

    Computing with resistive-switching (memristive) memory devices has shown much recent progress and offers an attractive route to circumvent the von-Neumann bottleneck, i.e. the separation of processing and memory, which limits the performance of conventional computer architectures. Due to their good scalability and nanosecond switching speeds, carbon-based resistive-switching memory devices could play an important role in this respect. However, devices based on elemental carbon, such as tetrahedral amorphous carbon or ta-C, typically suffer from a low cycling endurance. A material that has proven to be capable of combining the advantages of elemental carbon-based memories with simple fabrication methods and good endurance performance for binary memory applications is oxygenated amorphous carbon, or a-CO x . Here, we examine the memristive capabilities of nanoscale a-CO x devices, in particular their ability to provide the multilevel and accumulation properties that underpin computing type applications. We show the successful operation of nanoscale a-CO x memory cells for both the storage of multilevel states (here 3-level) and for the provision of an arithmetic accumulator. We implement a base-16, or hexadecimal, accumulator and show how such a device can carry out hexadecimal arithmetic and simultaneously store the computed result in the self-same a-CO x cell, all using fast (sub-10 ns) and low-energy (sub-pJ) input pulses.

  11. 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.

  12. Uranium incorporation into amorphous silica.

    Science.gov (United States)

    Massey, Michael S; Lezama-Pacheco, Juan S; Nelson, Joey M; Fendorf, Scott; Maher, Kate

    2014-01-01

    High concentrations of uranium are commonly observed in naturally occurring amorphous silica (including opal) deposits, suggesting that incorporation of U into amorphous silica may represent a natural attenuation mechanism and promising strategy for U remediation. However, the stability of uranium in opaline silicates, determined in part by the binding mechanism for U, is an important factor in its long-term fate. U may bind directly to the opaline silicate matrix, or to materials such as iron (hydr)oxides that are subsequently occluded within the opal. Here, we examine the coordination environment of U within opaline silica to elucidate incorporation mechanisms. Precipitates (with and without ferrihydrite inclusions) were synthesized from U-bearing sodium metasilicate solutions, buffered at pH ∼ 5.6. Natural and synthetic solids were analyzed with X-ray absorption spectroscopy and a suite of other techniques. In synthetic amorphous silica, U was coordinated by silicate in a double corner-sharing coordination geometry (Si at ∼ 3.8-3.9 Å) and a small amount of uranyl and silicate in a bidentate, mononuclear (edge-sharing) coordination (Si at ∼ 3.1-3.2 Å, U at ∼ 3.8-3.9 Å). In iron-bearing synthetic solids, U was adsorbed to iron (hydr)oxide, but the coordination environment also contained silicate in both edge-sharing and corner-sharing coordination. Uranium local coordination in synthetic solids is similar to that of natural U-bearing opals that retain U for millions of years. The stability and extent of U incorporation into opaline and amorphous silica represents a long-term repository for U that may provide an alternative strategy for remediation of U contamination.

  13. Amorphous salts formed from rapid dehydration of multicomponent chloride and ferric sulfate brines: Implications for Mars

    Science.gov (United States)

    Sklute, Elizabeth C.; Rogers, A. Deanne; Gregerson, Jason C.; Jensen, Heidi B.; Reeder, Richard J.; Dyar, M. Darby

    2018-03-01

    Salts with high hydration states have the potential to maintain high levels of relative humidity (RH) in the near subsurface of Mars, even at moderate temperatures. These conditions could promote deliquescence of lower hydrates of ferric sulfate, chlorides, and other salts. Previous work on deliquesced ferric sulfates has shown that when these materials undergo rapid dehydration, such as that which would occur upon exposure to present day Martian surface conditions, an amorphous phase forms. However, the fate of deliquesced halides or mixed ferric sulfate-bearing brines are presently unknown. Here we present results of rapid dehydration experiments on Ca-, Na-, Mg- and Fe-chloride brines and multicomponent (Fe2(SO4)3 ± Ca, Na, Mg, Fe, Cl, HCO3) brines at ∼21 °C, and characterize the dehydration products using visible/near-infrared (VNIR) reflectance spectroscopy, mid-infrared attenuated total reflectance spectroscopy, and X-ray diffraction (XRD) analysis. We find that rapid dehydration of many multicomponent brines can form amorphous solids or solids with an amorphous component, and that the presence of other elements affects the persistence of the amorphous phase under RH fluctuations. Of the pure chloride brines, only Fe-chloride formed an amorphous solid. XRD patterns of the multicomponent amorphous salts show changes in position, shape, and magnitude of the characteristic diffuse scattering observed in all amorphous materials that could be used to help constrain the composition of the amorphous salt. Amorphous salts deliquesce at lower RH values compared to their crystalline counterparts, opening up the possibility of their role in potential deliquescence-related geologic phenomena such as recurring slope lineae (RSLs) or soil induration. This work suggests that a wide range of aqueous mixed salt solutions can lead to the formation of amorphous salts and are possible for Mars; detailed studies of the formation mechanisms, stability and transformation

  14. Performance comparison between crystalline and co-amorphous salts of indomethacin-lysine

    DEFF Research Database (Denmark)

    Kasten, Georgia; Nouri, Khatera; Grohganz, Holger

    2017-01-01

    forms of salts of indomethacin (IND) with the amino acid lysine (LYS), allowing the direct comparison of their solid-state properties to their in vitro performance. X-ray powder diffraction and Fourier-transformed infrared spectroscopy showed that DBM experiments led to the formation of a fully co......-amorphous salt, while LAG resulted in a crystalline salt. Differential scanning calorimetry showed that the samples prepared by DBM had a single glass transition temperature (Tg) of approx. 100°C for the co-amorphous salt, while a new melting point (223°C) was obtained for the crystalline salt prepared by LAG....... Intrinsic dissolution and powder dissolution studies demonstrated an increased dissolution rate of the drug in the co-amorphous salt compared to pure amorphous IND and also the crystalline drug-LYS salt. Furthermore, the co-amorphous IND-LYS salt presented long term physical stability in dry conditions...

  15. Wear behaviors of a Fe-based amorphous alloy in ambient atmosphere and in distilled water

    Science.gov (United States)

    Jang, B. T.; Kim, S. S.; Yi, S.

    2014-01-01

    Wear behaviors of a Fe-based bulk amorphous alloy with more 3MPa yield strength against AISI 304 disc were studied in different environment using a unidirectional tribometer. Friction behaviors were also investigated in the state of both amorphous pin on amorphous disc test set and the amorphous pin on AISI 304 disc test set with surface temperature using thermocouple embedded pin. Wear mechanisms of a Fe-based bulk amorphous alloy have been proposed based upon the microstructural analysis and surface temperature measurements during pin-on disc friction tests in ambient atmosphere and in distilled water, respectively. Delamination from the smooth friction surface was the main wear mechanism during the friction test in ambient atmosphere, while brittle fracture morphologies were apparent on the friction surface formed in a distilled water condition. Based upon the surface temperature measurements, difference in the heat removal efficiency on the friction surface due to different atmospheres was suggested to cause distinct wear mechanisms.

  16. Biorelevant characterisation of amorphous furosemide salt exhibits conversion to a furosemide hydrate during dissolution

    DEFF Research Database (Denmark)

    Nielsen, Line Hagner; Gordon, Sarah; Pajander, Jari Pekka

    2013-01-01

    Biorelevant dissolution behaviour of the amorphous sodium salt and amorphous acid forms of furosemide was evaluated, together with investigations of the solid state changes during in vitro dissolution in medium simulating the conditions in the small intestine. UV imaging of the two amorphous forms......, as well as of crystalline furosemide salt and acid showed a higher rate of dissolution of the salt forms in comparison with the two acid forms. The measured dissolution rates of the four furosemide forms from the UV imaging system and from eluted effluent samples were consistent with dissolution rates...... showed a conversion of the amorphous furosemide salt to a more stable polymorph. It was found by thermogravimetric analysis and hot stage microscopy that the salt forms of furosemide converted to a trihydrate during dissolution. It can be concluded that during biorelevant dissolution, the amorphous...

  17. Cascade overlap and amorphization in 3C-SiC: Defect accumulation, topological features, and disordering

    International Nuclear Information System (INIS)

    Gao, F.; Weber, W.J.

    2002-01-01

    Molecular dynamics (MD) simulations with a modified Tersoff potential have been used to investigate cascade overlap, damage accumulation, and amorphization processes in 3C-SiC over dose levels comparable to experimental conditions. A large number of 10 keV displacement cascades were randomly generated in a model crystal to produce damage and cause amorphization. At low dose, the damage state is dominated by point defects and small clusters, where their concentration increases sigmoidally with increasing dose. The coalescence and growth of clusters at intermediate and higher doses is an important mechanism leading to amorphization in SiC. The homogeneous nucleation of small clusters at low dose underpins the homogeneouslike amorphization observed in SiC. A large increase in the number of antisite defects at higher dose indicates that both interstitials and antisite defects play an important role in producing high-energy states that lead to amorphization in SiC. The topologies (such as total pair correlation function, bond-angle, and bond-length distributions) of damage accumulation in the crystal suggest that a crystalline-to-amorphous (c-a) transition occurs at about 0.28 dpa. This value is in qualitative agreement with the experimental value of 0.27 dpa under similar irradiation conditions. After the model crystal transforms to the fully amorphous state, the long-range order is completely lost, while the short-range order parameter saturates at a value of about 0.49

  18. 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.

  19. Charge ordering in amorphous WOx films

    International Nuclear Information System (INIS)

    Kopelevich, Yakov; Silva, Robson R. da; Rougier, Aline; Luk'yanchuk, Igor A.

    2008-01-01

    We observed highly anisotropic viscous electronic conducting phase in amorphous WO 1.55 films that occurs below a current (I)- and frequency (f)-dependent temperature T*(I, f). At T< T*(I, f) the rotational symmetry of randomly disordered electronic background is broken leading to the appearance of mutually perpendicular metallic- and insulating-like states. A rich dynamic behavior of the electronic matter occurring at T< T*(I, f) provides evidence for an interplay between pinning effects and electron-electron interactions. The results suggest a dynamic crystallization of the disordered electronic matter, viz. formation of sliding Wigner crystal, as well as the occurrence of quantum liquid-like crystal or stripe phase at low drives

  20. 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

  1. Polyamorphous transition in amorphous fullerites C70

    International Nuclear Information System (INIS)

    Borisova, P. A.; Agafonov, S. S.; Glazkov, V. P.; D’yakonova, N. P.; Somenkov, V. A.

    2011-01-01

    Samples of amorphous fullerites C 70 have been obtained by mechanical activation (grinding in a ball mill). The structure of the samples has been investigated by neutron and X-ray diffraction. The high-temperature (up to 1200°C) annealing of amorphous fullerites revealed a polyamorphous transition from molecular to atomic glass, which is accompanied by the disappearance of fullerene halos at small scattering angles. Possible structural versions of the high-temperature amorphous phase are discussed.

  2. Amorphous silicon based radiation detectors

    International Nuclear Information System (INIS)

    Perez-Mendez, V.; Cho, G.; Drewery, J.; Jing, T.; Kaplan, S.N.; Qureshi, S.; Wildermuth, D.; Fujieda, I.; Street, R.A.

    1991-07-01

    We describe the characteristics of thin(1 μm) and thick (>30μm) hydrogenated amorphous silicon p-i-n diodes which are optimized for detecting and recording the spatial distribution of charged particles, x-rays and γ rays. For x-ray, γ ray, and charged particle detection we can use thin p-i-n photosensitive diode arrays coupled to evaporated layers of suitable scintillators. For direct detection of charged particles with high resistance to radiation damage, we use the thick p-i-n diode arrays. 13 refs., 7 figs

  3. Characterization of the hidden glass transition of amorphous cyclomaltoheptaose.

    Science.gov (United States)

    Tabary, Nicolas; Mahieu, Aurélien; Willart, Jean-François; Dudognon, Emeline; Danède, Florence; Descamps, Marc; Bacquet, Maryse; Martel, Bernard

    2011-10-18

    An amorphous solid of cyclomaltoheptaose (β-cyclodextrin, β-CD) was formed by milling its crystalline form using a high-energy planetary mill at room temperature. The glass transition of this amorphous solid was found to occur above the thermal degradation point of the material preventing its direct observation and thus its full characterization. The corresponding glass transition temperature (T(g)) and the ΔC(p) at T(g) have, however, been estimated by extrapolation of T(g) and ΔC(p) of closely related amorphous compounds. These compounds include methylated β-CD with different degrees of substitution and molecular alloys obtained by co-milling β-CD and methylated β-CD (DS 1.8) at different ratios. The physical characterization of the amorphous states have been performed by powder X-ray diffraction and differential scanning calorimetry, while the chemical integrity of β-CD upon milling was checked by NMR spectroscopy and mass spectrometry. Copyright © 2011 Elsevier Ltd. All rights reserved.

  4. Thermodynamically controlled crystallization of glucose pentaacetates from amorphous phase

    Energy Technology Data Exchange (ETDEWEB)

    Wlodarczyk, P., E-mail: patrykw@imn.gliwice.pl; Hawelek, L.; Hudecki, A.; Kolano-Burian, A. [Institute of Non-Ferrous Metals, ul. Sowinskiego 5, 44-100 Gliwice (Poland); Wlodarczyk, A. [Department of Animal Histology and Embryology, University of Silesia, ul. Bankowa 9, 40-007 Katowice (Poland)

    2016-08-15

    The α and β glucose pentaacetates are known sugar derivatives, which can be potentially used as stabilizers of amorphous phase of active ingredients of drugs (API). In the present work, crystallization behavior of equimolar mixture of α and β form in comparison to both pure anomers is revealed. It was shown that despite the same molecular interactions and similar molecular dynamics, crystallization from amorphous phase is significantly suppressed in equimolar mixture. Time dependent X-ray diffraction studies confirmed higher stability of the quenched amorphous equimolar mixture. Its tendency to crystallization is about 10 times lower than for pure anomers. Calorimetric studies revealed that the α and β anomers don’t form solid solutions and have eutectic point for x{sub α} = 0.625. Suppressed crystallization tendency in the mixture is probably caused by the altered thermodynamics of the system. The factors such as difference of free energy between crystalline and amorphous state or altered configurational entropy are probably responsible for the inhibitory effect.

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

    Science.gov (United States)

    Heikkinen, A T; DeClerck, L; Löbmann, K; Grohganz, H; Rades, T; Laitinen, R

    2015-07-01

    Co-amorphous formulations, particularly binary drug-amino acid mixtures, have been shown to provide enhanced dissolution for poorly-soluble drugs and improved physical stability of the amorphous state. However, to date the dissolution properties (mainly intrinsic dissolution rate) of the co-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, gibenclamide-serine, glibenclamide-threonine and glibenclamide-serine-threonine were studied in phosphate buffer pH 7.2 and biorelevant media (fasted and fed state simulated intestinal fluids (FaSSIF and FeSSIF, respectively)). The co-amorphous formulations were found to provide a long-lasting supersaturation and improve the dissolution of the drugs compared to the crystalline and amorphous drugs alone in buffer. Similar improvement, but in lesser extent, was observed in biorelevant media suggesting that a dissolution advantage observed in aqueous buffers may overestimate the advantage in vivo. However, the results show that, in addition to stability advantage shown earlier, co-amorphous drug-amino acid formulations provide dissolution advantage over crystalline drugs in both aqueous and biorelevant conditions.

  6. Effect of crystallization on corrosion behavior of Fe40Ni38B18Mo4 amorphous alloy in 3.5% sodium chloride solution

    DEFF Research Database (Denmark)

    Wu, Y.F.; Chiang, Wen-Chi; Wu, J.K.

    2008-01-01

    After the crystallization of F40Ni38B18Mo4 amorphous alloy by vacuum annealing, the corrosion resistance of its crystalline state shows inferior to its amorphous state due to the local cell action between Ni phase and (Fe, Ni, Mo)(23)B-6 phase in matrix.......After the crystallization of F40Ni38B18Mo4 amorphous alloy by vacuum annealing, the corrosion resistance of its crystalline state shows inferior to its amorphous state due to the local cell action between Ni phase and (Fe, Ni, Mo)(23)B-6 phase in matrix....

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

    International Nuclear Information System (INIS)

    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.

    2004-01-01

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

  8. Preparation and characterization of spray-dried co-amorphous drug-amino acid salts

    DEFF Research Database (Denmark)

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

    2016-01-01

    -amorphous salt formation. METHODS: The mixtures were characterized for their solid state properties using differential scanning calorimetry, thermogravimetric analysis and X-ray powder diffraction. Fourier-transform infrared spectroscopy was used to analyze molecular interactions. Furthermore, intrinsic...... revealed elevated glass transition temperatures for all mixtures compared with the pure amorphous drug due to co-amorphization with the amino acids. Furthermore, strong intermolecular interactions in the form of salt/partial salt formation between the drug and amino acids were seen for all blends. All...

  9. 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.

  10. Crystallization of amorphous phase in niobium alloys with oxygen

    International Nuclear Information System (INIS)

    Dekanenko, V.M.; Samojlenko, Z.A.; Revyakin, A.V.

    1982-01-01

    Crystallization and subsequent phase transformations of amorphous phase during annealings in the system Nb-O are studied. It is shown that quenching from liquid state of niobium alloys with oxygen with a rate of 10 5 -10 6 K/s results in partial crystallization of the melt. Phase transition from amorphous to crystal state at 670 K in all probability takes place without the change of chemical composition. After crystallization the decomposition of oversaturated solid solution on the basis of NbO takes place with the separation of low- temperature modification, γ-Nb 2 O 5 . Niobium pentoxide of both modifications during prolong annealings at 770 K and short- time annealings higher 1070 K disappears completely [ru

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

    Directory of Open Access Journals (Sweden)

    B. A. Golodenko

    2014-01-01

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

  12. Study on mechanism for amorphous drug stabilization using gelucire 50/13.

    Science.gov (United States)

    Shimpi, Shamkant Laxman; Mahadik, Kakasaheb Ramoo; Paradkar, Anant Raghunath

    2009-09-01

    Methods of preparation and application of amorphous form are well established but it is equally important to note that devitrification of amorphous drugs has limited their applications. Present study was performed to investigate mechanism for amorphous drug stabilization using Gelucire in comparison with polyvinylpyrrolidone (PVP). Etoricoxib and celecoxib were taken as model drugs for this study, as etoricoxib has only proton accepting site for hydrogen bonding in comparison with celecoxib, which has both proton accepting and donating site. Solid dispersion of celecoxib with polyvinylpyrrolidone and Gelucire was prepared by spray drying and melt-granulation technique respectively. X-ray powder diffractometry and differential scanning calorimetry were used to study the physical state of the drug. Dissolution studies were performed to differentiate dissolution performance. Stability study samples were evaluated for physical state of the drug and dissolution performance. An IR study in correlation with molecular modeling was carried out to study the mechanism for stabilization. Dissolution of melt-granulation of amorphous celecoxib was improved significantly as compared to amorphous celecoxib and Celecoxib-PVP solid dispersion. Melt-granulation with lipid seemed to be more dominant than amorphization of drug for improving dissolution. Stability data revealed that PVP was significantly advantageous for amorphous form stabilization whereas Gelucire failed in case of Celecoxib. In contrast to this, our previous study revealed the stabilization ability of Gelucire for amorphous etoricoxib. Molecular modeling and IR studies revealed that H-bonding was predominant mechanism for stabilization. Out of two proposed mechanism for amorphous drug stabilization by lipids, H-bonding ability is more dominant than immobilization of molecule in lipid matrix.

  13. Circular magnetic bistability in Co-rich amorphous microwires

    International Nuclear Information System (INIS)

    Chizhik, A; Gonzalez, J; Zhukov, A; Blanco, J M

    2003-01-01

    Circular magnetic bistability associated with a large Barkhausen jump between two states with opposite directions of circular magnetization have been observed by magneto-optical Kerr effect in nearly-zero magnetostrictive glass covered Co-rich amorphous microwire. The influence of external axial tensile stress on the circular switching field has been studied. Observed results have been related with a circular magneto-elastic anisotropy induced by a tensile stress in the outer transversally magnetized shell of the microwire

  14. Future perspectives for liquids and amorphous materials diffraction at ISIS

    International Nuclear Information System (INIS)

    Soper, A.K.

    1989-01-01

    A review is given of the current state of neutron diffraction from liquids and amorphous materials at ISIS. In particular the justification and status of the SANDALS diffractometer, which is now undergoing detailed design and construction is reviewed, and compared with competing diffractometers in Europe and the U.S.A. A general description of this instrument is included. 8 refs., 7 figs., 2 tabs

  15. Structural morphology of amorphous conducting carbon film

    Indian Academy of Sciences (India)

    Unknown

    in nanotubes and sp3 rich amorphous carbons for their application in field emission, device application, etc in- vestigations on sp2 rich amorphous carbon forms are very few. Though DLC films have potential application in field emission (FE) due to their low threshold voltage, the carbon centres, which are believed to play ...

  16. 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

  17. Film adhesion in amorphous silicon solar cells

    Indian Academy of Sciences (India)

    TECS

    flexible triple junction, amorphous silicon solar cells. At the Malaysia Energy Centre (MEC), we fabricated triple junction amorphous silicon solar cells (up to 12⋅7% efficiency (Wang et al 2002)) and laser-interconnected modules on steel, glass and polyimide substrates. A major issue encountered is the adhesion of thin film ...

  18. Colors and the evolution of amorphous galaxies

    International Nuclear Information System (INIS)

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

    1987-01-01

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

  19. Electron beam recrystallization of amorphous semiconductor materials

    Science.gov (United States)

    Evans, J. C., Jr.

    1968-01-01

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

  20. Photoexcitation-induced processes in amorphous semiconductors

    International Nuclear Information System (INIS)

    Singh, Jai

    2005-01-01

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

  1. Analytical theory of noncollinear amorphous metallic magnetism

    International Nuclear Information System (INIS)

    Kakehashi, Y.; Uchida, T.

    2001-01-01

    Analytical theory of noncollinear magnetism in amorphous metals is proposed on the basis of the Gaussian model for the distribution of the interatomic distance and the saddle-point approximation. The theory removes the numerical difficulty in the previous theory based on the Monte-Carlo sampling method, and reasonably describes the magnetic properties of amorphous transition metals

  2. Study of Sn100-xMnx amorphous system by 119Sn Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Drago, V.

    1986-01-01

    Thin films of Sn 100-x Mn x amorphous alloys with large range of concentrations were procedure by vapor condensation technique on substrates at temperatures near to liquid helium. The magnetic and paramagnetic hyperfine spectra, and the ordering temperatures were measured by 119 Sn Moessbauer effect. The electrical resistivity was used for characterizing the amorphous state. All the measurements were done 'in situ'. A magnetic phase diagram is proposed. (M.C.K.) [pt

  3. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-28

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  6. Amorphous Metallic Alloys: Pathways for Enhanced Wear and Corrosion Resistance

    Science.gov (United States)

    Aditya, Ayyagari; Felix Wu, H.; Arora, Harpreet; Mukherjee, Sundeep

    2017-11-01

    Amorphous metallic alloys are widely used in bulk form and as coatings for their desirable corrosion and wear behavior. Nevertheless, the effects of heat treatment and thermal cycling on these surface properties are not well understood. In this study, the corrosion and wear behavior of two Zr-based bulk metallic glasses were evaluated in as-cast and thermally relaxed states. Significant improvement in wear rate, friction coefficient, and corrosion penetration rate was seen for both alloys after thermal relaxation. A fully amorphous structure was retained with thermal relaxation below the glass transition. There was an increase in surface hardness and elastic modulus for both alloys after relaxation. The improvement in surface properties was explained based on annihilation of free volume.

  7. 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...... in the mixtures. Interestingly, a favorable effect by the excipients on the tautomerism of amorphous glibenclamide in the co-amorphous blends was seen, as the formation of the thermodynamically less stable imidic acid tautomer of glibenclamide was suppressed compared to that of the pure amorphous drug...

  8. A unified description of crystalline-to-amorphous transitions

    Energy Technology Data Exchange (ETDEWEB)

    Lam, N.Q.; Okamoto, P.R. [Argonne National Lab., IL (United States); Devanathan, R. [Argonne National Lab., IL (United States)]|[Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Meshii, M. [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering

    1993-07-01

    Amorphous metallic alloys can now be synthesized by a variety of solid-state processes demonstrating the need for a more general approach to crystalline-to-amorphous (c-a) transitions. By focusing on static atomic displacements as a measure of chemical and topological disorder, we show that a unified description of c-a transformations can be based on a generalization of the phenomenological melting criterion proposed by Lindemann. The generalized version assumes that melting of a defective crystal occurs whenever the sum of thermal and static mean-square displacements exceeds a critical value identical to that for melting of the defect-free crystal. This implies that chemical or topological disorder measured by static displacements is thermodynamically equivalent to heating, and therefore that the melting temperature of the defective crystal will decrease with increasing amount of disorder. This in turn implies the existence of a critical state of disorder where the melting temperature becomes equal to a glass-transition temperature below which the metastable crystal melts to a glass. The generalized Lindemann melting criterion leads naturally to an interpretation of c-a transformations as defect-induced, low-temperature melting of critically disordered crystals. Confirmation of this criterion is provided by molecular-dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds caused either by the production of Frenkel pairs or anti-site defects. The thermodynamic equivalence between static atomic disorder and heating is reflected in the identical softening effects which they have on elastic properties and also in the diffraction analysis of diffuse scattering from disordered crystals, where the effect of static displacements appears as an artificially-enlarged thermal Debye-Waller factor. Predictions of this new, unified approach to melting and amorphization are compared with available experimental information.

  9. Electronic transport in amorphous phase-change materials

    International Nuclear Information System (INIS)

    Luckas, Jennifer Maria

    2012-01-01

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

  10. Amorphous GaP produced by ion implantation

    International Nuclear Information System (INIS)

    Shimada, T.; Kato, Y.; Shiraki, Y.; Komatsubara, K.F.

    1976-01-01

    Two types of non-crystalline states ('disordered' and 'amorphous') of GaP were produced by using ion implantation and post annealing. A structural-phase-transition-like annealing behaviour from the 'disordered' state to the 'amorphous' state was observed. The ion dose dependence and the annealing behaviour of the atomic structure of GaP implanted with 200 keV -N + ions were studied by using electron diffraction, backscattering and volume change measurements. The electronic structure was also investigated by measuring optical absorption and electrical conductivity. The implanted layer gradually loses the crystalline order with the increase of the nitrogen dose. The optical absorption coefficient α and electric conductivity sigma of GaP crystals implanted with 200 keV -N + ions of 1 x 10 16 cm -2 were expressed as αhν = C(hν - E 0 )sup(n) and log sigma = A -BTsup(-1/4), respectively. Moreover, the volume of the implanted layer increased about three percent and the electron diffraction pattern was diffused halo whose intensity monotonically decreases along the radial direction. These results indicate that the as-implanted layer has neither a long range order or short range order ('disordered state'). In the sample implanted at 1 x 10 16 cm -2 , a structural phase-transition-like annealing stage was observed at around 400 0 C. That is, the optical absorption coefficient abruptly fell off from 6 x 10 4 to 7 x 10 3 cm -1 and the volume of the implanted layer decreased about 2% within an increase of less than 10 degrees in the anneal temperature. Moreover, the short range order of the lattice structure appeared in the electron diffraction pattern. According to the backscattering experiment, the heavily implanted GaP was still in the non-crystalline state even after annealing. These facts suggest that heavily implanted GaP, followed by annealing at around 400 0 C, is in the 'amorphous' state, although as-implanted GaP is not in the 'amorphous' state but in the

  11. 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

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

    Science.gov (United States)

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

    2009-11-17

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

  13. Surface magnetic structures in amorphous ferromagnetic microwires

    International Nuclear Information System (INIS)

    Usov, N.A.; Serebryakova, O.N.; Gudoshnikov, S.A.; Tarasov, V.P.

    2017-01-01

    The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

  14. Theoretical Considerations in Developing Amorphous Solid Dispersions

    DEFF Research Database (Denmark)

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

    2014-01-01

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

  15. Surface magnetic structures in amorphous ferromagnetic microwires

    Energy Technology Data Exchange (ETDEWEB)

    Usov, N.A., E-mail: usov@obninsk.ru [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Serebryakova, O.N.; Gudoshnikov, S.A. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Tarasov, V.P. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation)

    2017-05-01

    The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

  16. Amorphous Phases on the Surface of Mars

    Science.gov (United States)

    Rampe, E. B.; Morris, R. V.; Ruff, S. W.; Horgan, B.; Dehouck, E.; Achilles, C. N.; Ming, D. W.; Bish, D. L.; Chipera, S. J.

    2014-01-01

    Both primary (volcanic/impact glasses) and secondary (opal/silica, allophane, hisingerite, npOx, S-bearing) amorphous phases appear to be major components of martian surface materials based on orbital and in-situ measurements. A key observation is that whereas regional/global scale amorphous components include altered glass and npOx, local scale amorphous phases include hydrated silica/opal. This suggests widespread alteration at low water-to-rock ratios, perhaps due to snow/ice melt with variable pH, and localized alteration at high water-to-rock ratios. Orbital and in-situ measurements of the regional/global amorphous component on Mars suggests that it is made up of at least three phases: npOx, amorphous silicate (likely altered glass), and an amorphous S-bearing phase. Fundamental questions regarding the composition and the formation of the regional/global amorphous component(s) still remain: Do the phases form locally or have they been homogenized through aeolian activity and derived from the global dust? Is the parent glass volcanic, impact, or both? Are the phases separate or intimately mixed (e.g., as in palagonite)? When did the amorphous phases form? To address the question of source (local and/or global), we need to look for variations in the different phases within the amorphous component through continued modeling of the chemical composition of the amorphous phases in samples from Gale using CheMin and APXS data. If we find variations (e.g., a lack of or enrichment in amorphous silicate in some samples), this may imply a local source for some phases. Furthermore, the chemical composition of the weathering products may give insight into the formation mechanisms of the parent glass (e.g., impact glasses contain higher Al and lower Si [30], so we might expect allophane as a weathering product of impact glass). To address the question of whether these phases are separate or intimately mixed, we need to do laboratory studies of naturally altered samples made

  17. Particle-induced amorphization of complex ceramics. Final report

    International Nuclear Information System (INIS)

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

    1998-01-01

    The crystalline-to-amorphous (c-a) phase transition is of fundamental importance. Particle irradiations provide an important, highly controlled means of investigating this phase transformation and the structure of the amorphous state. The interaction of heavy-particles with ceramics is complex because these materials have a wide range of structure types, complex compositions, and because chemical bonding is variable. Radiation damage and annealing can produce diverse results, but most commonly, single crystals become aperiodic or break down into a polycrystalline aggregate. The authors continued the studies of the transition from the periodic-to-aperiodic state in natural materials that have been damaged by α-recoil nuclei in the uranium and thorium decay series and in synthetic, analogous structures. The transition from the periodic to aperiodic state was followed by detailed x-ray diffraction analysis, in-situ irradiation/transmission electron microscopy, high resolution transmission electron microscopy, extended x-ray absorption fine structure spectroscopy/x-ray absorption near edge spectroscopy and other spectroscopic techniques. These studies were completed in conjunction with bulk irradiations that can be completed at Los Alamos National Laboratory or Sandia National Laboratories. Principal questions addressed in this research program included: (1) What is the process at the atomic level by which a ceramic material is transformed into a disordered or aperiodic state? (2) What are the controlling effects of structural topology, bond-type, dose rate, and irradiation temperature on the final state of the irradiated material? (3) What is the structure of the damaged material? (4) What are the mechanisms and kinetics for the annealing of interstitial and aggregate defects in these irradiated ceramic materials? (5) What general criteria may be applied to the prediction of amorphization in complex ceramics?

  18. Continuous amorphization of Cu-Zr studied by positron lifetime and two-dimensional Doppler broadening measurements

    International Nuclear Information System (INIS)

    Puff, W.; Rabitsch, H.; Wuerschum, R.; Wilde, G.

    2007-01-01

    Positron lifetime and 2-dimensional Doppler broadening measurements were used to study the amorphization of Cu 60 Zr 40 induced by consecutive folding and rolling. In an intermediate state of folding and rolling cycles a complex microstructure evolves with structural free volumes exhibiting a local environment with enhanced Zr content. In the fully amorphous state after 80 cycles, free volumes of the size of a few missing atoms occur which is contrast to amorphous alloys prepared by melt-spinning. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. 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.

  20. Amorphization Mechanism of Icosahedral Platinum Clusters

    International Nuclear Information System (INIS)

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

    2004-01-01

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

  1. 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.

  2. Electronic Structures Localized at the Boron Atom in Amorphous Fe-B and Fe-B-P Alloys

    Science.gov (United States)

    Yasuda, Hidehiro; Nakayama, Hiroshi; Fujita, Hiroshi

    1989-11-01

    The electronic structures localized at the B in amorphous Fe-B and Fe-B-P alloys and their crystallized alloys were studied by Auger valence electron spectroscopy and the states of solute B are discussed based on the change in the degree of covalent bonding and the charge transfer between the Fe and B atoms. In amorphous phases, the charge transfers from Fe to B above 15at%B where B atoms occupy the substitutionallike situations, and from B to Fe below 15at%B where B atoms occupy the interstitiallike situations. Magnetic properties depend on such states of solute B. In crystalline phases, covalent bonding becomes dominant because the electron excitation occurs to the B2p state. Consequently, amorphous phases are more metallic in character than crystalline phases and amorphous structures are stabilized by a mixture of more than two different bonding states.

  3. Electrical Characterization of Irradiated Semiconducting Amorphous Hydrogenated Boron Carbide

    Science.gov (United States)

    Peterson, George Glenn

    Semiconducting amorphous partially dehydrogenated boron carbide has been explored as a neutron voltaic for operation in radiation harsh environments, such as on deep space satellites/probes. A neutron voltaic device could also be used as a solid state neutron radiation detector to provide immediate alerts for radiation workers/students, as opposed to the passive dosimetry badges utilized today. Understanding how the irradiation environment effects the electrical properties of semiconducting amorphous partially dehydrogenated boron carbide is important to predicting the stability of these devices in operation. p-n heterojunction diodes were formed from the synthesis of semiconducting amorphous partially dehydrogenated boron carbide on silicon substrates through the use of plasma enhanced chemical vapor deposition (PECVD). Many forms of structural and electrical measurements and analysis have been performed on the p-n heterojunction devices as a function of both He+ ion and neutron irradiation including: transmission electron microscopy (TEM), selected area electron diffraction (SAED), current versus voltage I(V), capacitance versus voltage C(V), conductance versus frequency G(f), and charge carrier lifetime (tau). In stark contrast to nearly all other electronic devices, the electrical performance of these p-n heterojunction diodes improved with irradiation. This is most likely the result of bond defect passivation and resolution of degraded icosahedral based carborane structures (icosahedral molecules missing a B, C, or H atom(s)).

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

    International Nuclear Information System (INIS)

    Masui, Toshiyuki; Hirai, Hidekazu; Imanaka, Nobuhito; Adachi, Gin-ya

    2006-01-01

    Cerium-titanium pyrophosphates Ce 1-x Ti x P 2 O 7 (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

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

    Science.gov (United States)

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

    2016-12-01

    The solubility of a drug is ultimately governed by its chemical potential as it is present in the undissolved solute. For a pharmaceutical amorphous solid dispersion (ASD), its solubility depends on the state and composition of the undissolved solute when the ASD is equilibrated with water. Concerning the undissolved solute phase that can contain up to 3 components (drug, polymer, and water), we developed a complete thermodynamic model to calculate the chemical potential of a drug in the multicomponent, amorphous system. This approach enables the estimation of the true solubility advantage of ASD from calorimetric measurements and moisture sorption isotherms. Both theoretical estimation and experimental studies, using indomethacin (IMC)/Eudragit E ASD systems, show that the solubility advantage of the amorphous IMC is significantly reduced through ASD formation and water partitioning. For the ASD with 70% drug loading, the solubility of IMC is lower than its crystalline counterpart. Our results show that stabilization through the ASD formation and water sorption can be manifested by the lowering of drug solubility; they demonstrate that the core property in ASD development is the drug chemical potential, which is essentially the thermodynamic driving force and can be quantitated using the model presented in this work. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  6. Hole conduction pathways in transparent amorphous tin oxides

    Science.gov (United States)

    Wahila, Matthew; Lebens-Higgins, Zachary; Quackenbush, Nicholas; Piper, Louis; Butler, Keith; Hendon, Christopher; Walsh, Aron; Watson, Graeme

    P-type transparent amorphous oxide semiconductors (TAOS) have yet to be sufficiently demonstrated or commercialized, severely limiting the possible device architecture of transparent and flexible oxide electronics. The lack of p-type amorphous oxide candidates mainly originates from the directional oxygen 2 p character of their topmost valence states. Previous attempts to create p-type oxides have involved hybridization of the O 2 p with metal orbitals, such as with CuAlO2 and its Cu 3 d - O 2 p hybridization. However, the highly directional nature of the utilized orbitals means that structural disorder inhibits hybridization and severely disrupts hole-conduction pathways. Crystalline stannous oxide (SnO) and other lone-pair active post-transition metal oxides can have reduced localization at the valence band edge due to complex hybridization between the O 2 p, metal p, and spherical metal s-orbitals. I will discuss our investigation of structural disorder in SnO. Using a combination of synchrotron spectroscopy, and atomistic calculations, our investigation elucidates the important interplay between atomistic and electronic structure in establishing continuous hole conduction pathways at the valence band edge of transparent amorphous oxides.

  7. Continuous amorphization of Cu-Zr studied by positron lifetime

    International Nuclear Information System (INIS)

    Wilde, G.; Wuerschum, R.; Rabitsch, H.; Puff, W.

    2006-01-01

    Full text: Solid state amorphization by cold-rolling represents an attractive alternative to commonly used ball-milling. The present work aimed at a free volume study of the process of amorphization. To study the amorphization process binary Cu-Zr alloys were mechanically intermixed by cold rolling. Foils of pure Cu and Zr were stacked to form arrays of composition Cu 60 Zr 40 and folded four times. The folded samples were rolled at a strain rate of approximately 0.1 s -1 to a thickness of about 80 μm and then folded to double the thickness and rolled again to a minimum thickness of 80 μm. This procedure was repeated until the final material was cold-rolled for up to 80 passes. The microstructural changes during cold-rolling were investigated at different stages of the mechanical intermixing process by positron lifetime and 2-dimensional Doppler broadening measurements. The obtained Doppler results are discussed analysing the S-W-plot as well as a two-component fit and the shape of the ratio curves. Finally the results are compared to the lifetime results. (author)

  8. Pressure-jump induced rapid solidification of melt: a method of preparing amorphous materials

    Science.gov (United States)

    Liu, Xiuru; Jia, Ru; Zhang, Doudou; Yuan, Chaosheng; Shao, Chunguang; Hong, Shiming

    2018-04-01

    By using a self-designed pressure-jump apparatus, we investigated the melt solidification behavior in rapid compression process for several kinds of materials, such as elementary sulfur, polymer polyether-ether-ketone (PEEK) and poly-ethylene-terephthalate, alloy La68Al10Cu20Co2 and Nd60Cu20Ni10Al10. Experimental results clearly show that their melts could be solidified to be amorphous states through the rapid compression process. Bulk amorphous PEEK with 24 mm in diameter and 12 mm in height was prepared, which exceeds the size obtained by melt quenching method. The bulk amorphous sulfur thus obtained exhibited extraordinarily high thermal stability, and an abnormal exothermic transition to liquid sulfur was observed at around 396 K for the first time. Furthermore, it is suggested that the glass transition pressure and critical compression rate exist to form the amorphous phase. This approach of rapid compression is very attractive not only because it is a new technique of make bulk amorphous materials, but also because novel properties are expected in the amorphous materials solidified by the pressure-jump within milliseconds or microseconds.

  9. 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.

  10. Effects of the amorphization on hysteresis loops of the amorphous spin-1/2 Ising system

    International Nuclear Information System (INIS)

    Essaoudi, I.; Ainane, A.; Saber, M.; Miguel, J.J. de

    2009-01-01

    We examine the effects of the amorphization on the hysteresis loops of the amorphous spin-1/2 Ising system using the effective field theory within a probability distribution technique that accounts for the self-spin correlation functions. The magnetization, the transverse and longitudinal susceptibilities, and pyromagnetic coefficient are also studied in detail

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

    Science.gov (United States)

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

    2016-05-03

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

  12. 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)

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

    International Nuclear Information System (INIS)

    Cabral P, A.; Garcia S, I.; Contreras V, J. A.; Garcia S, F.; Nava, N.

    2010-01-01

    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)

  14. Neutron Detection using Amorphous Boron-Carbide Hetero-Junction Diodes

    Science.gov (United States)

    2012-03-22

    states. Special nuclear material as defined by Title I of the Atomic Energy Act of 1954 includes Pu, 233U, and uranium enriched in the isotopes 233U...NEUTRON DETECTION USING AMORPHOUS BORON -CARBIDE HETERO-JUNCTION DIODES THESIS Thomas P. McQuary, Major, USA AFIT/NUCL/ENP/12-M06 DEPARTMENT OF THE...is not subject to copyright protection in the United States. AFIT/NUCL/ENP/12-M06 NEUTRON DETECTION USING AMORPHOUS BORON -CARBIDE HETERO-JUNCTION

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

    DEFF Research Database (Denmark)

    Löbmann, Korbinian; Flouda, Konstantina; Qiu, Danwen

    2014-01-01

    New drug candidates increasingly tend to be poorly water soluble. One approach to increase their solubility is to convert the crystalline form of a drug into the amorphous form. Intrinsic dissolution testing is an efficient standard method to determine the intrinsic dissolution rate (IDR) of a drug...... and to test the potential dissolution advantage of the amorphous form. However, neither the United States Pharmacopeia (USP) nor the European Pharmacopeia (Ph.Eur) state specific limitations for the compression pressure in order to obtain compacts for the IDR determination. In this study, the influence...

  16. 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. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Ta-based amorphous metal thin films

    Energy Technology Data Exchange (ETDEWEB)

    McGlone, John M., E-mail: mcglone@eecs.oregonstate.edu [School of Electrical Engineering and Computer Science, Oregon State University, Corvallis, OR 97331-5501 (United States); Olsen, Kristopher R. [Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003 (United States); Stickle, William F.; Abbott, James E.; Pugliese, Roberto A.; Long, Greg S. [Hewlett-Packard Company, Corvallis, OR, 97333 (United States); Keszler, Douglas A. [Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003 (United States); Wager, John F. [School of Electrical Engineering and Computer Science, Oregon State University, Corvallis, OR 97331-5501 (United States)

    2015-11-25

    With their lack of grains and grain boundaries, amorphous metals are known to possess advantageous mechanical properties and enhanced chemical stability relative to crystalline metals. Commonly, however, they exhibit poor high-temperature stability because of their metastable nature. Here, we describe two new Ta-based ternary metal thin films that retain thermal stability to 600 °C and above. The new thin-film compositions, Ta{sub 2}Ni{sub 2}Si{sub 1} and Ta{sub 2}Mo{sub 2}Si{sub 1}, are amorphous, exhibiting ultra-smooth surfaces (<0.4 nm) and resistivities typical of amorphous metals (224 and 177 μΩ cm, respectively). - Highlights: • New Ta-based amorphous metals were sputter deposited from individual targets. • As-deposited amorphous structure was confirmed through diffraction techniques. • Electrical and surface properties were characterized and possess smooth surfaces. • No evidence of crystallization up to 600 °C (TaNiSi) and 800 °C (TaMoSi). • Ultra-smooth surfaces remained unchanged up to crystallization temperature.

  18. Amorphous silicon detectors in positron emission tomography

    International Nuclear Information System (INIS)

    Conti, M.; Perez-Mendez, V.

    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 ε 2 τ'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

  19. 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.

  20. Moessbauer and transport studies of amorphous and icosahedral Zr-Ni-Cu-Ag-Al alloys

    International Nuclear Information System (INIS)

    Stadnik, Z.M.; Rapp, O.; Srinivas, V.; Saida, J.; Inoue, A.

    2002-01-01

    The alloy Zr 65 Al 7.5 Ni 10 Cu 7.3 Fe 0.2 Ag 10 in the amorphous and icosahedral states, and the bulk amorphous alloy Zr 65 Al 7.5 Ni 10 Cu 7.5 Ag 10 , have been studied with 57 Fe Moessbauer spectroscopy, electrical resistance and magnetoresistance techniques. The average quadrupole splitting in both alloys decreases with temperature as T 3/2 . The average quadrupole splitting in the icosahedral alloy is the largest ever reported for a metallic system. The lattice vibrations of the Fe atoms in the amorphous and icosahedral alloys are well described by a simple Debye model, with the characteristic Moessbauer temperatures of 379(29) and 439(28) K, respectively. Amorphous alloys Zr 65 Al 7. )5Ni 10 Cu 7.5 Ag 10 and Zr 65 Al 7.5 Ni 10 Cu 7.3 Fe 0.2 Ag 10 have been found to be superconducting with the transition temperature, T c , of about 1.7 K. The magnitude of Tc and the critical field slope at Tc are in agreement with previous work on Zr-based amorphous superconductors, while the low-temperature normal state resistivity is larger than typical results for binary and ternary Zr-based alloys. The resistivity of icosahedral Zr 65 Al 7.5 Ni 10 Cu 7.3 Fe 0.2 Ag 10 is larger than that for the amorphous ribbon of the same composition, as inferred both from direct measurements on the ribbons and from the observed magnetoresistance. However the icosahedral sample is non-superconducting in the measurement range down to 1.5 K. The results for the resistivity and the superconducting T c both suggest a stronger electronic disorder in the icosahedral phase than in the amorphous phase. (author)

  1. Preparation and properties of amorphous carbon and hydrocarbon films

    Energy Technology Data Exchange (ETDEWEB)

    Richter, F. (Fachbereich Physik, TU Chemnitz (Germany)); Bewilogua, K. (Fraunhofer-Inst. fuer Schicht- und Oberflaechentechnik, Hamburg (Germany)); Kupfer, H.; Muehling, I.; Rau, B.; Rother, B. (Fachbereich Physik, TU Chemnitz (Germany)); Schumacher, D. (Lehrstuhl fuer Oberflaechenwissenschaft, Univ. Duesseldorf (Germany))

    1992-05-15

    This paper deals with amorphous carbonaceous films deposited by different ion/or plasma assisted methods (cathodic arc evaporation, ion plating, and magnetron sputtering), which show remarkable differences in density, composition and energetic state of the particle fluxes arriving at the substrate surface. The structure of the layers was characterized by electron energy loss spectroscopy, high energy electron diffraction, Raman spectroscopy, and electron microscopy. Moreover, the hardness and mass density of the layers were measured. The three deposition methods are compared with regard to their growth conditions yielding a specific layer structure. (orig.).

  2. Aging, Jamming, and the Limits of Stability of Amorphous Solids.

    Science.gov (United States)

    Lubchenko, Vassiliy; Wolynes, Peter G

    2018-01-09

    Apart from not having crystallized, supercooled liquids can be considered as being properly equilibrated and thus can be described by a few thermodynamic control variables. In contrast, glasses and other amorphous solids can be arbitrarily far away from equilibrium and require a description of the history of the conditions under which they formed. In this paper we describe how the locality of interactions intrinsic to finite-dimensional systems affects the stability of amorphous solids far off equilibrium. Our analysis encompasses both structural glasses formed by cooling and colloidal assemblies formed by compression. A diagram outlining regions of marginal stability can be adduced which bears some resemblance to the quasi-equilibrium replica meanfield theory phase diagram of hard sphere glasses in high dimensions but is distinct from that construct in that the diagram describes not true phase transitions but kinetic transitions that depend on the preparation protocol. The diagram exhibits two distinct sectors. One sector corresponds to amorphous states with relatively open structures, the other to high density, more closely packed ones. The former transform rapidly owing to there being motions with no free energy barriers; these motions are string-like locally. In the dense region, amorphous systems age via compact activated reconfigurations. The two regimes correspond, in equilibrium, to the collisional or uniform liquid and the so-called landscape regime, respectively. These are separated by a spinodal line of dynamical crossovers. Owing to the rigidity of the surrounding matrix in the landscape, high-density part of the diagram, a sufficiently rapid pressure quench adds compressive energy which also leads to an instability toward string-like motions with near vanishing barriers. Conversely, a dilute collection of rigid particles, such as a colloidal suspension leads, when compressed, to a spatially heterogeneous structure with percolated mechanically stable

  3. 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...

  4. Formation of amorphous layers by irradiation

    International Nuclear Information System (INIS)

    Bourgoin, J.C.

    1979-01-01

    When an ordered solid is irradiated with heavy energy particles, disorder is produced. When the irradiation dose exceeds a so-called critical dose, the irradiated area of the solid becomes uniformly disordered. Mention is first made of the nature, concentration and distribution of the defects created by a heavy energy particle. The description is then given -solely with respect to semiconductors- of the effect of the various parameters on the critical dose energy and nature of the ion, nature and temperature of the solid, irradiation flux. The physical properties (electronic and thermodynamic types) and the uniformly disordered areas are briefly discussed and these properties are compared with those of amorphous semiconductor layers fabricated by evaporation. It is concluded that the evaporated and irradiated layers are similar in nature. It is suggested that the transformation of an irradiated crystalline area into an amorphous one occurs when the Gibbs energy of the crystal become greater than the Gibbs energy of the amorphous one [fr

  5. Phase transitions in biogenic amorphous calcium carbonate.

    Science.gov (United States)

    Gong, Yutao U T; Killian, Christopher E; Olson, Ian C; Appathurai, Narayana P; Amasino, Audra L; Martin, Michael C; Holt, Liam J; Wilt, Fred H; Gilbert, P U P A

    2012-04-17

    Crystalline biominerals do not resemble faceted crystals. Current explanations for this property involve formation via amorphous phases. Using X-ray absorption near-edge structure (XANES) spectroscopy and photoelectron emission microscopy (PEEM), here we examine forming spicules in embryos of Strongylocentrotus purpuratus sea urchins, and observe a sequence of three mineral phases: hydrated amorphous calcium carbonate (ACC · H(2)O) → dehydrated amorphous calcium carbonate (ACC) → calcite. Unexpectedly, we find ACC · H(2)O-rich nanoparticles that persist after the surrounding mineral has dehydrated and crystallized. Protein matrix components occluded within the mineral must inhibit ACC · H(2)O dehydration. We devised an in vitro, also using XANES-PEEM, assay to identify spicule proteins that may play a role in stabilizing various mineral phases, and found that the most abundant occluded matrix protein in the sea urchin spicules, SM50, stabilizes ACC · H(2)O in vitro.

  6. Heavy ions amorphous semiconductors irradiation study

    International Nuclear Information System (INIS)

    Benmalek, M.

    1978-01-01

    The behavior of amorphous semiconductors (germanium and germanium and arsenic tellurides) under ion bombardment at energies up to 2 MeV was studied. The irradiation induced modifications were followed using electrical parameter changes (resistivity and activation energy) and by means of the transmission electron microscopy observations. The electrical conductivity enhancement of the irradiated samples was interpreted using the late conduction theories in amorphous compounds. In amorphous germanium, Electron Microscopy showed the formations of 'globules', these defects are similar to voids observed in irradiated metals. The displacement cascade theory was used for the interpretation of the irradiation induced defects formation and a coalescence mechanism of growth was pointed out for the vacancy agglomeration [fr

  7. Structural transformations in amorphous ↔ crystalline phase change of Ga-Sb alloys

    International Nuclear Information System (INIS)

    Edwards, T. G.; Sen, S.; Hung, I.; Gan, Z.; Kalkan, B.; Raoux, S.

    2013-01-01

    Ga-Sb alloys with compositions ranging between ∼12 and 50 at. % Ga are promising materials for phase change random access memory applications. The short-range structures of two such alloys with compositions Ga 14 Sb 86 and Ga 46 Sb 54 are investigated, in their amorphous and crystalline states, using 71 Ga and 121 Sb nuclear magnetic resonance spectroscopy and synchrotron x-ray diffraction. The Ga and Sb atoms are fourfold coordinated in the as-deposited amorphous Ga 46 Sb 54 with nearly 40% of the constituent atoms being involved in Ga-Ga and Sb-Sb homopolar bonding. This necessitates extensive bond switching and elimination of homopolar bonds during crystallization. On the other hand, Ga and Sb atoms are all threefold coordinated in the as-deposited amorphous Ga 14 Sb 86 . Crystallization of this material involves phase separation of GaSb domains in Sb matrix and a concomitant increase in the Ga coordination number from 3 to 4. Results from crystallization kinetics experiments suggest that the melt-quenching results in the elimination of structural “defects” such as the homopolar bonds and threefold coordinated Ga atoms in the amorphous phases of these alloys, thereby rendering them structurally more similar to the corresponding crystalline states compared to the as-deposited amorphous phases

  8. Correlating the properties of amorphous silicon with its flexibility volume

    Science.gov (United States)

    Fan, Zhao; Ding, Jun; Li, Qing-Jie; Ma, Evan

    2017-04-01

    For metallic glasses, "flexibility volume" has recently been introduced as a property-revealing indicator of the structural state the glass is in. This parameter incorporates the atomic volume and the vibrational mean-square displacement, to combine both static structure and dynamics information. Flexibility volume was shown to quantitatively correlate with the properties of metallic glasses [J. Ding et al., Nat. Commun. 7, 13733 (2016), 10.1038/ncomms13733]. However, it remains to be examined if this parameter is useful for other types of glasses with bonding characteristics, atomic packing structures, as well as properties that are distinctly different from metallic glasses. In this paper, we tackle this issue through systematic molecular-dynamics simulations of amorphous silicon (a -Si) models produced with different cooling rates, as a -Si is a prototypical covalently bonded network glass whose structure and properties cannot be characterized using structural parameters such as free volume used for metallic and polymeric glasses. Specifically, we demonstrate a quantitative prediction of the shear modulus of a -Si from the flexibility for atomic motion. This flexibility volume descriptor, when evaluated on the atomic scale, is shown to also correlate well with local packing, as well as with the propensity for thermal relaxations and shear transformations, providing a metric to map out and explain the structural and mechanical heterogeneity in the amorphous material. This case study of a model of covalently bonded network a -Si, together with our earlier demonstration for metallic glasses, points to the universality of flexibility volume as an indicator of the structure state to link with properties, applicable across amorphous materials with different chemical bonding and atomic packing structures.

  9. 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

  10. Short range order in amorphous polycondensates

    Energy Technology Data Exchange (ETDEWEB)

    Lamers, C.; Richter, D.; Schweika, W. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Festkoerperforschung; Batoulis, J.; Sommer, K. [Bayer AG, Leverkusen (Germany); Cable, J.W. [Oak Ridge National Lab., TN (United States); Shapiro, S.M. [Brookhaven National Lab., Upton, NY (United States)

    1992-12-01

    The static coherent structure factors S(Q) of the polymer glass Bisphenol-A-Polycarbonate and its chemical variation Bisphenol-A- Polyctherkctone- both in differently deuterated versions- have been measured by spin polarized neutron scattering. The method of spin polarization analysis provided an experimental separation of coherent and incoherent scattering and a reliable intensity calibration. Results are compared to structure factors calculated for model structures which were obtained by ``amorphous cell`` computer simulations. In general reasonable agreement is found between experiment and simulation; however, certain discrepancies hint at an insufficient structural relaxation in the amorphous cell method. 15 refs, 1 fig, 1 tab.

  11. Ion bombardment and disorder in amorphous silicon

    International Nuclear Information System (INIS)

    Sidhu, L.S.; Gaspari, F.; Zukotynski, S.

    1997-01-01

    The effect of ion bombardment during growth on the structural and optical properties of amorphous silicon are presented. Two series of films were deposited under electrically grounded and positively biased substrate conditions. The biased samples displayed lower growth rates and increased hydrogen content relative to grounded counterparts. The film structure was examined using Raman spectroscopy. The transverse optic like phonon band position was used as a parameter to characterize network order. Biased samples displayed an increased order of the amorphous network relative to grounded samples. Furthermore, biased samples exhibited a larger optical gap. These results are correlated and attributed to reduced ion bombardment effects

  12. Amorphous Silicon-Carbon Nanostructure Photovoltaic Devices

    OpenAIRE

    Schriver, Maria Christine

    2012-01-01

    A novel solar cell architecture made completely from the earth abundant elements silicon and carbon has been developed. Hydrogenated amorphous silicon (aSi:H), rather than crystalline silicon, is used as the active material due to its high absorption through a direct band gap of 1.7eV, well matched to the solar spectrum to ensure the possibility of improved cells in this architecture with higher efficiencies. The cells employ a Schottky barrier design wherein the amorphous silicon absorber la...

  13. Irradiation induced crystalline to amorphous transition

    International Nuclear Information System (INIS)

    Bourgoin, J.

    1980-01-01

    Irradiation of a crystalline solid with energetic heavy particles results in cascades of defects which, with increasing dose, overlap and form a continuous disordered layer. In semiconductors the physical properties of such disordered layers are found to be similar to those of amorphous layers produced by evaporation. It is shown in the case of silicon, that the transition from a disordered crystalline (X) layer to an amorphous (α) layer occurs when the Gibbs energy of the X phase and of the defects it contains becomes larger than the Gibbs energy of the α phase. (author)

  14. Molecular modeling of amorphous and crosslinked cellulose

    Science.gov (United States)

    Chen, Wei

    2001-07-01

    Structure-property relationships in cellulose crosslinked with both conventional and elastomeric crosslinking agents were successfully calculated using molecular modeling. The observed yielding for these amorphous cellulose models, which occurred at approximately 8% strain according to the calculated stress-strain relationship, is due to the disruption of hydrogen bonds, the secondary crosslinks, between cellulose chain segments. Crosslinks hold cellulose chain segments together and block chain slippage to give cellulose fibers a higher initial modulus and better elastic response. However, these crosslinks restrict chain movement so that stress is concentrated in regions of the structure and cavities are formed and developed in these regions of the models, which correlate to final fiber failure. The flexibility and response to applied external force for some potential crosslink structures were examined by molecular modeling. These molecules, which have small energy differences between conformational states, are highly coiled and have small mean end-to-end distances (accounting for 40% to 50% of the length of their fully extended chains). The presence of oxygen atoms in the backbone along with asymmetric non-polar side groups, such as methyl groups, can greatly reduce the energy difference and the energy barrier between conformational states and can thus make chains highly coiled and easy to be extended. Decane crosslinks introduced more freedom to cellulose chain segments but didn't improve the deformation recovery in cellulose models. Conformational transitions were observed in decane crosslinks during deformation. Cellulose models crosslinked with poly(propylene oxide) pentamers or with the N-methyl substituted peptide pentamers show good deformation recovery without affecting the breaking strain. Both crosslinks didn't significantly change the initial modulus and the yielding behavior of cellulose. No conformation transitions were observed in these crosslinks

  15. Amorphization of metals by ion implantation and ion beam mixing

    International Nuclear Information System (INIS)

    Rauschenbach, B.; Heera, V.

    1988-01-01

    Amorphous metallic systems can be formed either by high-fluence ion implantation of glassforming species or by irradiation of layered metal systems with inert gas ions. Both techniques and experimental examples are presented. Empirical rules are discussed which predict whether a given system can be transformed into an amorphous phase. Influence of temperature, implantation dose and pre-existing crystalline metal composition on amorphization is considered. Examples are given of the implantation induced amorphous structure, recrystallization and formation of quasicrystalline structures. (author)

  16. Characterization of amorphous hydrogenated carbon films ...

    Indian Academy of Sciences (India)

    Amorphous hydrogenated carbon films (-C:H) on -type (100) silicon wafers were prepared with a middle frequency pulsed unbalanced magnetron sputtering technique (MFPUMST) at different ratios of methane–argon gases. The band characteristics, mechanical properties as well as refractive index were measured by ...

  17. Characterization of amorphous hydrogenated carbon films ...

    Indian Academy of Sciences (India)

    †Key Laboratory of Radiation and Technology of Education Ministry of China, Institute of Nuclear Science and. Technology, Sichuan University, Chengdu 610064, P. R. China. MS received 14 March 2011; revised 29 October 2011. Abstract. Amorphous hydrogenated carbon films (a-C:H) on p-type (100) silicon wafers were ...

  18. 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...

  19. 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...

  20. 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

  1. Film adhesion in amorphous silicon solar cells

    Indian Academy of Sciences (India)

    TECS

    Abstract. A major issue encountered during fabrication of triple junction a-Si solar cells on polyimide sub- strates 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 ...

  2. Structural morphology of amorphous conducting carbon film

    Indian Academy of Sciences (India)

    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 ...

  3. Film adhesion in amorphous silicon solar cells

    Indian Academy of Sciences (India)

    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 ...

  4. Characterization of amorphous and nanocrystalline carbon films

    International Nuclear Information System (INIS)

    Chu, Paul K.; Li Liuhe

    2006-01-01

    Amorphous and nanocrystalline carbon films possess special chemical and physical properties such as high chemical inertness, diamond-like properties, and favorable tribological proprieties. The materials usually consist of graphite and diamond microstructures and thus possess properties that lie between the two. Amorphous and nanocrystalline carbon films can exist in different kinds of matrices and are usually doped with a large amount of hydrogen. Thus, carbon films can be classified as polymer-like, diamond-like, or graphite-like based on the main binding framework. In order to characterize the structure, either direct bonding characterization methods or the indirect bonding characterization methods are employed. Examples of techniques utilized to identify the chemical bonds and microstructure of amorphous and nanocrystalline carbon films include optical characterization methods such as Raman spectroscopy, Ultra-violet (UV) Raman spectroscopy, and infrared spectroscopy, electron spectroscopic and microscopic methods such as scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy, transmission electron microscopy, and electron energy loss spectroscopy, surface morphology characterization techniques such as scanning probe microscopy (SPM) as well as other characterization methods such as X-ray reflectivity and nuclear magnetic resonance. In this review, the structures of various types of amorphous carbon films and common characterization techniques are described

  5. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    c0, c being the instantaneous concentration at a local point and c0, the average concentration of hydrogen in the hydrogenated amorphous silicon. If the system is both incompressible and isotropic, the change in Helmholtz free energy due to fluctuations in the local concentration of hydrogen is given as. 122. Pramana – J.

  6. Radiative recombination of excitons in amorphous semiconductors

    International Nuclear Information System (INIS)

    Singh, Jai

    2005-01-01

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

  7. Neutron diffraction studies of amorphous solids

    International Nuclear Information System (INIS)

    Wright, A.C.

    1983-01-01

    A brief survey is presented of the role of neutron diffraction in structural studies of amorphous solids. The inherent limitations of the diffraction technique are discussed, together with modern instrumentation and methods for separating individual component correlation functions. An introduction is given to the use of modelling and the extraction of structural parameters from experimental data. (author)

  8. Amorphous calcium carbonate particles form coral skeletons

    Science.gov (United States)

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

    2017-09-01

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

  9. 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...

  10. Plasma deposition of amorphous metal alloys

    Science.gov (United States)

    Hays, Auda K.

    1986-01-01

    Amorphous metal alloy coatings are plasma-deposited by dissociation of vapors of organometallic compounds and metalloid hydrides in the presence of a reducing gas, using a glow discharge. Tetracarbonylnickel, phosphine, and hydrogen constitute a typical reaction mixture of the invention, yielding a NiPC alloy.

  11. Vibrational properties of amorphous semiconductors

    International Nuclear Information System (INIS)

    Schulz, P.A.B.

    1985-01-01

    A model for the lattice dynamics of a-Si 1-X N X 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) [pt

  12. 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...

  13. Linear and non-linear optical properties of amorphous Se and ...

    Indian Academy of Sciences (India)

    has been reported to be used in optical memory applica- tions, but in crystalline state it can be used in IR detector, solar cells, a compound semiconductor heterostructure [6–. 8]. ..... A clear red shift of the absorption edge was observed with the addition of Ge, Ga and Zn with 5 at.% to the amorphous Se. The inset of figure 3.

  14. Comparison between Zr-Rh amorphous alloys fabricated by different processes

    International Nuclear Information System (INIS)

    Missell, F.P.

    1984-01-01

    It has been considered Zr-Rh amorphous alloys fabricated by sputtering and melt-spinning. For these materials, it was compared the superconducting transition temperatures T c , the superior critical field H c2 , the states density at Fermi energy N*, the dependence of T c with the hydrostatic pressure and results of differential thermic analysis. (A.C.A.S.) [pt

  15. Conduction Mechanism in Amorphous As 2 S 3 | Nkum | Journal of ...

    African Journals Online (AJOL)

    The dc conductivity provides evidence of conduction by excitation of charge carriers into the band edges near the mobility edges. The results also give the possibility of conduction by a phonon-assisted hopping of polarons between localised states. Keywords: Amorphous semiconductor, hopping, mobility edge ...

  16. Hot Melt Extrusion and Spray Drying of Co-amorphous Indomethacin-Arginine With Polymers

    DEFF Research Database (Denmark)

    Lenz, Elisabeth; Löbmann, Korbinian; Rades, Thomas

    2017-01-01

    was evaluated. After a polymer screening via the solvent evaporation method, co-amorphous indomethacin-arginine was prepared by a melting-solvent extrusion process without and with copovidone. The obtained products were characterized with respect to their solid-state properties, non-sink dissolution behavior...

  17. Amorphous CuZr alloy investigated by anomalous X-ray scattering

    International Nuclear Information System (INIS)

    Bionducci, M.; Buffa, F.; Licheri, G.; Navarra, G.

    1993-01-01

    Cu Zr amorphous powder was prepared by a mechano-chemical reaction in order to state a comparison with corresponding samples prepared by different amorphization processes. The structure of the alloyed powder is studied by anomalous X-ray scattering method. Starting from a suitable set of total and differential structure factors and using a regularization algorithm, a set of partial structure factors is obtained, which compares well with those previously obtained for a sample prepared by rapid solidification of the melt. (authors) 1 fig., 1 tab., 14 refs

  18. Dependence of tracer diffusion on atomic size in amorphous Ni-Zr

    International Nuclear Information System (INIS)

    Hahn, H.; Averback, R.S.

    1988-01-01

    Tracer diffusion coefficients for several impurities and Ni self-atoms were measured in amorphous (a-) Ni/sub 50/Zr/sub 50/ at 573 K using secondary-ion-mass spectroscopy, Rutherford backscattering, and radioactive tracer methods. The results showed that atomic mobility in the a-Ni-Zr alloy depends strongly on atomic size, decreasing rapidly with increasing atomic radius. This diffusion behavior is similar to that in α-Zr and α-Ti and is suggestive of an interstitial-like mechanism of diffusion. The consequences of these results for solid-state amorphization transformations are discussed

  19. 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.

  20. 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. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  1. Synthesis and characterization of black amorphous titanium oxide nanoparticles by spark discharge method

    Science.gov (United States)

    Sabzehparvar, Milad; Kiani, Fatemeh; Tabrizi, Nooshin Salman

    2018-01-01

    In the last decade, while crystalline titanium oxide nanoparticles have been extensively studied, the studies on amorphous polymorph nanoparticles are relatively rare and limited to the ab initio studies. We have synthesized black amorphous titanium oxide nanoparticles using, for the first time, spark ablation in the argon gas followed by oxidation at atmospheric conditions. The produced nanoparticles were characterized by various characterization methods to study their structure, size, morphology, surface area and optical properties. XRD analysis indicated the formation of an amorphous TiO2 phase together with Ti, TiO and Ti2O3 crystalline phases. FESEM demonstrated that the produced nanoparticles had a narrow size distribution. EDS analysis suggested the formation of nonstoichiometric titanium oxide. TEM and SAED analyses showed that the majority of nanoparticles were in amorphous state and possessed an average size of about 5.2 nm. A very high specific surface area of 310 m2/g was measured for the produced nanoparticles by the BJH analysis. These titanium oxide nanoparticles showed an optical band gap of around 3.2eV and an enhanced absorption in the whole visible spectrum measured by the UV-Vis and DRS analyses due to the oxygen deficiency. These results indicate that the spark ablation in the gas phase is a facile method for the synthesis of black amorphous titanium oxide nanoparticles.

  2. Hot Melt Extrusion and Spray Drying of Co-amorphous Indomethacin-Arginine With Polymers.

    Science.gov (United States)

    Lenz, Elisabeth; Löbmann, Korbinian; Rades, Thomas; Knop, Klaus; Kleinebudde, Peter

    2017-01-01

    Co-amorphous drug-amino acid systems have gained growing interest as an alternative to common amorphous formulations which contain polymers as stabilizers. Several preparation methods have recently been investigated, including vibrational ball milling on a laboratory scale or spray drying in a larger scale. In this study, the feasibility of hot melt extrusion for continuous manufacturing of co-amorphous drug-amino acid formulations was examined, challenging the fact that amino acids melt with degradation at high temperatures. Furthermore, the need for an addition of a polymer in this process was evaluated. After a polymer screening via the solvent evaporation method, co-amorphous indomethacin-arginine was prepared by a melting-solvent extrusion process without and with copovidone. The obtained products were characterized with respect to their solid-state properties, non-sink dissolution behavior, and stability. Results were compared to those of spray-dried formulations with the same compositions and to spray-dried indomethacin-copovidone. Overall, stable co-amorphous systems could be prepared by extrusion without or with copovidone, which exhibited comparable molecular interaction properties to the respective spray-dried products, while phase separation was detected by differential scanning calorimetry in several cases. The formulations containing indomethacin in combination with arginine and copovidone showed enhanced dissolution behavior over the formulations with only copovidone or arginine. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  3. Investigation of the milling-induced thermal behavior of crystalline and amorphous griseofulvin.

    Science.gov (United States)

    Trasi, Niraj S; Boerrigter, Stephan X M; Byrn, Stephen Robert

    2010-07-01

    To gain a better understanding of the physical state and the unusual thermal behavior of milled griseofulvin. Griseofulvin crystals and amorphous melt quench samples were milled in a vibrating ball mill for different times and then analyzed using differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD). Modulated DSC (mDSC) and annealing studies were done for the milled amorphous samples to further probe the effects of milling. Milling of griseofulvin crystals results in decrease in crystallinity and amorphization of the compound. A double peak is seen for crystallization in the DSC, which is also seen for the milled melt quench sample. Both enthalpy and temperature of crystallization decrease for the milled melt quenched sample. Tg is visible under the first peak with the mDSC, and annealing shows that increasing milling time results in faster crystallization upon storage. Milling of griseofulvin results in the formation of an amorphous form and not a mesophase. It increases the amount of surface created and the overall energy of the amorphous griseofulvin, which leads to a decreased temperature of crystallization. The two exotherms in the DSC are due to some particles having nuclei on the surface.

  4. Preparation, characterization and in vivo evaluation of amorphous atorvastatin calcium nanoparticles using supercritical antisolvent (SAS) process.

    Science.gov (United States)

    Kim, Min-Soo; Jin, Shun-Ji; Kim, Jeong-Soo; Park, Hee Jun; Song, Ha-Seung; Neubert, Reinhard H H; Hwang, Sung-Joo

    2008-06-01

    In this work, amorphous atorvastatin calcium nanoparticles were successfully prepared using the supercritical antisolvent (SAS) process. The effect of process variables on particle size and distribution of atorvastatin calcium during particle formation was investigated. Solid state characterization, solubility, intrinsic dissolution, powder dissolution studies and pharmacokinetic study in rats were performed. Spherical particles with mean particle size ranging between 152 and 863 nm were obtained by varying process parameters such as precipitation vessel pressure and temperature, drug solution concentration and feed rate ratio of CO2/drug solution. XRD, TGA, FT-IR, FT-Raman, NMR and HPLC analysis indicated that atorvastatin calcium existed as anhydrous amorphous form and no degradation occurred after SAS process. When compared with crystalline form (unprocessed drug), amorphous atorvastatin calcium nanoparticles were of better performance in solubility and intrinsic dissolution rate, resulting in higher solubility and faster dissolution rate. In addition, intrinsic dissolution rate showed a good correlation with the solubility. The dissolution rates of amorphous atorvastatin calcium nanoparticles were highly increased in comparison with unprocessed drug by the enhancement of intrinsic dissolution rate and the reduction of particle size resulting in an increased specific surface area. The absorption of atorvastatin calcium after oral administration of amorphous atorvastatin calcium nanoparticles to rats was markedly increased.

  5. The glass transition in high-density amorphous ice.

    Science.gov (United States)

    Loerting, Thomas; Fuentes-Landete, Violeta; Handle, Philip H; Seidl, Markus; Amann-Winkel, Katrin; Gainaru, Catalin; Böhmer, Roland

    2015-01-01

    There has been a long controversy regarding the glass transition in low-density amorphous ice (LDA). The central question is whether or not it transforms to an ultraviscous liquid state above 136 K at ambient pressure prior to crystallization. Currently, the most widespread interpretation of the experimental findings is in terms of a transformation to a superstrong liquid above 136 K. In the last decade some work has also been devoted to the study of the glass transition in high-density amorphous ice (HDA) which is in the focus of the present review. At ambient pressure HDA is metastable against both ice I and LDA, whereas at > 0.2 GPa HDA is no longer metastable against LDA, but merely against high-pressure forms of crystalline ice. The first experimental observation interpreted as the glass transition of HDA was made using in situ methods by Mishima, who reported a glass transition temperature T g of 160 K at 0.40 GPa. Soon thereafter Andersson and Inaba reported a much lower glass transition temperature of 122 K at 1.0 GPa. Based on the pressure dependence of HDA's T g measured in Innsbruck, we suggest that they were in fact probing the distinct glass transition of very high-density amorphous ice (VHDA). Very recently the glass transition in HDA was also observed at ambient pressure at 116 K. That is, LDA and HDA show two distinct glass transitions, clearly separated by about 20 K at ambient pressure. In summary, this suggests that three glass transition lines can be defined in the p-T plane for LDA, HDA, and VHDA.

  6. Crystallization of biogenic hydrous amorphous silica

    Science.gov (United States)

    Kyono, A.; Yokooji, M.; Chiba, T.; Tamura, T.; Tuji, A.

    2017-12-01

    Diatom, Nitzschia cf. frustulum, collected from Lake Yogo, Siga prefecture, Japan was cultured in laboratory. Organic components of the diatom cell were removed by washing with acetone and sodium hypochlorite. The remaining frustules were studied by SEM-EDX, FTIR spectroscopy, and synchrotron X-ray diffraction. The results showed that the spindle-shaped morphology of diatom frustule was composed of hydrous amorphous silica. Pressure induced phase transformation of the diatom frustule was investigated by in situ Raman spectroscopic analysis. With exposure to 0.3 GPa at 100 oC, Raman band corresponding to quartz occurred at ν = 465 cm-1. In addition, Raman bands known as a characteristic Raman pattern of moganite was also observed at 501 cm-1. From the integral ratio of Raman bands, the moganite content in the probed area was estimated to be approximately 50 wt%. With the pressure and temperature effect, the initial morphology of diatom frustule was completely lost and totally changed to a characteristic spherical particle with a diameter of about 2 mm. With keeping the compression of 5.7 GPa at 100 oC, a Raman band assignable to coesite appeared at 538 cm-1. That is, with the compression and heating, the hydrous amorphous silica can be readily crystallized into quartz, moganite, and coesite. The first-principles calculations revealed that a disiloxane molecule stabilized in a trans configuration is twisted 60o and changed into the cis configuration with a close approach of water molecule. It is therefore a reasonable assumption that during crystallization of hydrous amorphous silica, the Si-O-Si bridging unit with the cis configuration would survive as a structural defect and then crystallized into moganite by keeping the geometry. This hypothesis is adaptable to the phase transformation from hydrous amorphous silica to coesite as well, because coesite has the four-membered rings and easily formed from the hydrous amorphous silica under high pressure and high

  7. Preparation and Characterization of ZnO Nanoparticles Supported on Amorphous SiO2

    Directory of Open Access Journals (Sweden)

    Ying Chen

    2017-08-01

    Full Text Available In order to reduce the primary particle size of zinc oxide (ZnO and eliminate the agglomeration phenomenon to form a monodisperse state, Zn2+ was loaded on the surface of amorphous silica (SiO2 by the hydrogen bond association between hydroxyl groups in the hydrothermal process. After calcining the precursors, dehydration condensation among hydroxyl groups occurred and ZnO nanoparticles supported on amorphous SiO2 (ZnO–SiO2 were prepared. Furthermore, the SEM and TEM observations showed that ZnO nanoparticles with a particle size of 3–8 nm were uniformly and dispersedly loaded on the surface of amorphous SiO2. Compared with pure ZnO, ZnO–SiO2 showed a much better antibacterial performance in the minimum inhibitory concentration (MIC test and the antibacterial properties of the paint adding ZnO–SiO2 composite.

  8. Preparation and Characterization of ZnO Nanoparticles Supported on Amorphous SiO₂.

    Science.gov (United States)

    Chen, Ying; Ding, Hao; Sun, Sijia

    2017-08-10

    In order to reduce the primary particle size of zinc oxide (ZnO) and eliminate the agglomeration phenomenon to form a monodisperse state, Zn 2+ was loaded on the surface of amorphous silica (SiO₂) by the hydrogen bond association between hydroxyl groups in the hydrothermal process. After calcining the precursors, dehydration condensation among hydroxyl groups occurred and ZnO nanoparticles supported on amorphous SiO₂ (ZnO-SiO₂) were prepared. Furthermore, the SEM and TEM observations showed that ZnO nanoparticles with a particle size of 3-8 nm were uniformly and dispersedly loaded on the surface of amorphous SiO₂. Compared with pure ZnO, ZnO-SiO₂ showed a much better antibacterial performance in the minimum inhibitory concentration (MIC) test and the antibacterial properties of the paint adding ZnO-SiO₂ composite.

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

    Science.gov (United States)

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

    2018-03-01

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

  10. Diffraction and local order in amorphous systems. The case of thermal neutrons

    International Nuclear Information System (INIS)

    Tourand, G.

    1977-01-01

    Phenomenologically an amorphous material was defined as a system without any well-defined diffraction pattern. An attempt is made to give a more rigorous definition of the amorphous state. The pair distribution function g(r) will then be defined with respect to the structural properties, a knowledge of which is essential for a better understanding of amorphous systems. The information yielded by this function on the nature of the local order and its limitations due to the various approximations used will be discussed. The different experimental means available for obtaining the pair correlation function will be critically examined. Emphasis will be placed on thermal neutron measurements. Finally, how the function g(r) used as a local order parameter is deduced from the experimental data (diffuse intensity) [fr

  11. Fast diffusion and nucleation of the amorphous phase in Ni--Zr films

    International Nuclear Information System (INIS)

    Ehrhart, P.; Averback, R.S.; Hahn, H.; Yadavalli, S.; Flynn, C.P.

    1988-01-01

    The nucleation of the amorphous phase by solid-state reactions has been investigated on single-crystal Zr films grown by molecular beam epitaxy and covered in situ with either polycrystalline Ni, amorphous (a-) NiZr, or single-crystalline Zr 99 N 01 films. Interfacial reactions were investigated by backscattering analysis or secondary ion mass spectroscopy. The amorphizing reaction occurred only in the specimen with the a-NiZr overlayer, although fast Ni diffusion through the single-crystalline Zr layer was observed in all three specimens. The nucleation behavior of a-NiZr is attributed to the combination of high-Ni and low-Zr mobility in crystalline Zr

  12. Uniaxial in-plane magnetization of iron nanolayers grown within an amorphous matrix

    Energy Technology Data Exchange (ETDEWEB)

    Ghafari, M., E-mail: mohammad.ghafari@kit.edu; Hahn, H. [Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094 (China); Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattheis, R. [Leibniz Institute for Photonic Technology IPHT, Jena (Germany); McCord, J. [Institute for Materials Science, Kiel University Kiel, Kaiserstraße 2, 24143 Kiel (Germany); Brand, R. A. [Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Macedo, W. A. A. [Laboratório de Física Aplicada, Centro de Desenvolvimento da Tecnologia Nuclear (CDTN), 31270-901 Belo Horizonte, MG (Brazil)

    2014-08-18

    Conversion electron Mössbauer spectroscopy is used to determine the magnetic ground state at zero magnetic field of four-monolayer thick amorphous iron layers as part of a CoFeB-Fe multilayer stack. By comparing the intensities of the magnetic hyperfine field, an easy in-plane axis of the amorphous embedded Fe layer is verified, which is collinear to the uniaxial anisotropy axis of the neighboring amorphous CoFeB. Despite the soft magnetic character of the Fe layers, external fields up to 4 T perpendicular to the film plane are insufficient to completely align the embedded Fe moments parallel to the magnetic field due to a local disorder of the magnetic moments of the Fe atoms.

  13. First-Principles Prediction of Densities of Amorphous Materials: The Case of Amorphous Silicon

    Science.gov (United States)

    Furukawa, Yoritaka; Matsushita, Yu-ichiro

    2018-02-01

    A novel approach to predict the atomic densities of amorphous materials is explored on the basis of Car-Parrinello molecular dynamics (CPMD) in density functional theory. Despite the determination of the atomic density of matter being crucial in understanding its physical properties, no first-principles method has ever been proposed for amorphous materials until now. We have extended the conventional method for crystalline materials in a natural manner and pointed out the importance of the canonical ensemble of the total energy in the determination of the atomic densities of amorphous materials. To take into account the canonical distribution of the total energy, we generate multiple amorphous structures with several different volumes by CPMD simulations and average the total energies at each volume. The density is then determined as the one that minimizes the averaged total energy. In this study, this approach is implemented for amorphous silicon (a-Si) to demonstrate its validity, and we have determined the density of a-Si to be 4.1% lower and its bulk modulus to be 28 GPa smaller than those of the crystal, which are in good agreement with experiments. We have also confirmed that generating samples through classical molecular dynamics simulations produces a comparable result. The findings suggest that the presented method is applicable to other amorphous systems, including those for which experimental knowledge is lacking.

  14. Physicochemical properties and oral bioavailability of amorphous atorvastatin hemi-calcium using spray-drying and SAS process.

    Science.gov (United States)

    Kim, Jeong-Soo; Kim, Min-Soo; Park, Hee Jun; Jin, Shun-Ji; Lee, Sibeum; Hwang, Sung-Joo

    2008-07-09

    The objective of the study was to prepare amorphous atorvastatin hemi-calcium using spray-drying and supercritical antisolvent (SAS) process and evaluate its physicochemical properties and oral bioavailability. Atorvastatin hemi-calcium trihydrate was transformed to anhydrous amorphous form by spray-drying and SAS process. With the SAS process, the mean particle size and the specific surface area of amorphous atorvastatin were drastically changed to 68.7+/-15.8nm, 120.35+/-1.40m2/g and 95.7+/-12.2nm, 79.78+/-0.93m2/g from an acetone solution and a tetrahydrofuran solution, respectively and appeared to be associated with better performance in apparent solubility, dissolution and pharmacokinetic studies, compared with unprocessed crystalline atorvastatin. Oral AUC0-8h values in SD rats for crystalline and amorphous atorvastatin were as follow: 1121.4+/-212.0ngh/mL for crystalline atorvastatin, 3249.5+/-406.4ngh/mL and 3016.1+/-200.3ngh/mL for amorphous atorvastatin from an acetone solution and a tetrahydrofuran solution with SAS process, 2227.8+/-274.5 and 2099.9+/-339.2ngh/mL for amorphous atorvastatin from acetone and tetrahydrofuran with spray-drying. The AUCs of all amorphous atorvastatin significantly increased (P<0.05) compared with crystalline atorvastatin, suggesting that the enhanced bioavailability was attributed to amorphous nature and particle size reduction. In addition, the SAS process exhibits better bioavailability than spray-drying because of particle size reduction with narrow particle size distribution. It was concluded that physicochemical properties and bioavailability of crystalline atorvastatin could be improved by physical modification such as particle size reduction and generation of amorphous state using spray-drying and SAS process. Further, SAS process was a powerful methodology for improving the physicochemical properties and bioavailability of atorvastatin.

  15. Long-Term Stability of New Co-Amorphous Drug Binary Systems: Study of Glass Transitions as a Function of Composition and Shelf Time

    Directory of Open Access Journals (Sweden)

    Luz María Martínez

    2016-12-01

    Full Text Available The amorphous state is of particular interest in the pharmaceutical industry due to the higher solubility that amorphous active pharmaceutical ingredients show compared to their respective crystalline forms. Due to their thermodynamic instability, drugs in the amorphous state tend to recrystallize; in order to avoid crystallization, it has been a common strategy to add a second component to hinder the crystalline state and form a thermally stable co-amorphous system, that is to say, an amorphous binary system which retains its amorphous structure. The second component can be a small molecule excipient (such as a sugar or an aminoacid or a second drug, with the advantage that a second active pharmaceutical ingredient could be used for complementary or combined therapeutic purposes. In most cases, the compositions studied are limited to 1:1, 2:1 and 1:2 molar ratios, leaving a gap of information about phase transitions and stability on the amorphous state in a wider range of compositions. In the present work, a study of novel co–amorphous formulations in which the selection of the active pharmaceutical ingredients was made according to the therapeutic effect is presented. Resistance against crystallization and behavior of glass transition temperature ( T g were studied through calorimetric measurements as a function of composition and shelf time. It was found that binary formulations with T g temperatures higher than those of pure components presented long-term thermal stability. In addition, significant increments of T g values, of as much as 15 ∘ C, were detected as a result of glass relaxation at room temperature during storage time; this behavior of glass transition has not been previously reported for co-amorphous drugs. Based on these results, it can be concluded that monitoring behavior of T g and relaxation processes during the first weeks of storage leads to a more objective evaluation of the thermomechanical stability of an amorphous

  16. Bulk nanocrystalline Al85Ni10La5 alloy fabricated by spark plasma sintering of atomized amorphous powders

    International Nuclear Information System (INIS)

    Sasaki, T.T.; Hono, K.; Vierke, J.; Wollgarten, M.; Banhart, J.

    2008-01-01

    Amorphous Al 85 Ni 10 La 5 powders were consolidated to cylindrical samples by spark plasma sintering (SPS), and their microstructures and mechanical properties were investigated. When the powders were consolidated below the crystallization temperature, an amorphous phase was retained in the consolidated sample. Sintering above the crystallization temperature caused full crystallization. The Vickers hardness of the amorphous-containing sample was about 350 HV in the as-sintered state and increased up to 450 HV by a subsequent heat treatment just below the crystallization temperature. The highest hardness was achieved in a nanocrystalline microstructure. Compression tests revealed the brittle nature of the consolidated samples although the fracture and yield strength was higher than 1 GPa. The brittleness is due to the low relative density of the amorphous-containing samples and the presence of a large amount of intermetallic compounds in the fully crystallized sample

  17. Determination of the melting point of amorphous semiconductors from the kinetics of their self-sustaining crystallization

    International Nuclear Information System (INIS)

    Kulyasova, O.A.; Balandin, V.Yu.; Dvurechenskii, A.V.; Aleksandrov, L.N.

    1987-01-01

    Amorphous semiconductors are becoming increasingly important. For this reason it is necessary to study their properties thoroughly. It is well known that the melting of amorphous semiconductors, in particular silicon (a-Si), is a first-order phase transition, occurring at a definite melting point T A that depends on the structural state of the a-Si. As was shown previously, the process of lateral self-sustaining crystallization (SC), characteristic for amorphous layers of silicon, depends on the time and temperature of the preheating, during which the layer remains amorphous but undergoes local structural changes. The purpose of this work is to determine the dependence of the depth of crystallization owing to SC in a-Si on its melting temperature. This will make it possible to determine, under experimental conditions, the value of T A from the depth of crystallization of a-Si

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

    Science.gov (United States)

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

    2018-01-24

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

  19. Influence of structural relaxation and partial devitrification on the corrosion resistance of Fe78B13Si9 amorphous alloy

    International Nuclear Information System (INIS)

    Souza, C.A.C.; Politi, F.S.; Kiminami, C.S.

    1998-01-01

    Amorphous alloys obtained by rapid solidification from the melt exhibit a similar structure to those observed in the liquid state, i.e., without long range ordering, in such a way that the constituents of the alloy usually are randomly and homogeneously distributed. Amorphous alloys, depending on their composition, may exhibit interesting characteristics such as very soft magnetic properties and improved resistance to corrosion. The high corrosion resistance of these alloys is attributed mainly to a higher rate of dissolution of passivating elements in the amorphous state. In addition, amorphous alloys are chemically homogeneous and free of defects such as grain boundaries, precipitates and segregation, which are favorable sites for corrosion. The corrosion resistance of amorphous alloys also depends on their thermal history. Several authors have reported that structural changes, such as structural relaxation and devitrification caused by annealing, change significantly the corrosion properties of these alloys. The purpose of this paper is to study corrosion resistance of the amorphous FeBSi alloy and the effects of structural changes such as structural relaxation and partial crystallization caused by annealing

  20. 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.

  1. FDTD simulation of amorphous silicon waveguides for microphotonics applications

    Science.gov (United States)

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

    2017-05-01

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

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

    Science.gov (United States)

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

    2015-01-01

    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. PMID:26569244

  3. 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.

  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. Amorphous formulations of indomethacin and griseofulvin prepared by electrospinning.

    Science.gov (United States)

    Lopez, Felipe L; Shearman, Gemma C; Gaisford, Simon; Williams, Gareth R

    2014-12-01

    Following an array of optimization experiments, two series of electrospun polyvinylpyrrolidone (PVP) fibers were prepared. One set of fibers contained various loadings of indomethacin, known to form stable glasses, and the other griseofulvin (a poor glass former). Drug loadings of up to 33% w/w were achieved. Electron microscopy data showed the fibers largely to comprise smooth and uniform cylinders, with evidence for solvent droplets in some samples. In all cases, the drug was found to exist in the amorphous physical state in the fibers on the basis of X-ray diffraction and differential scanning calorimetry (DSC) measurements. Modulated temperature DSC showed that the relationship between a formulation's glass transition temperature (Tg) and the drug loading follows the Gordon-Taylor equation, but not the Fox equation. The results of Gordon-Taylor analysis indicated that the drug/polymer interactions were stronger with indomethacin. The interactions between drug and polymer were explored in more detail using molecular modeling simulations and again found to be stronger with indomethacin; the presence of significant intermolecular forces was further confirmed using IR spectroscopy. The amorphous form of both drugs was found to be stable after storage of the fibers for 8 months in a desiccator (relative humidity <25%). Finally, the functional performance of the fibers was studied; in all cases, the drug-loaded fibers released their drug cargo very rapidly, offering accelerated dissolution over the pure drug.

  6. Emerging trends in the stabilization of amorphous drugs.

    Science.gov (United States)

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

    2013-08-30

    The number of active pharmaceutical substances having high therapeutic potential but low water solubility is constantly increasing, making it difficult to formulate these compounds as oral dosage forms. The solubility and dissolution rate, and thus potentially the bioavailability, of these poorly 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. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Determination of boron in amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

    Grazhulene, S.S.; Grossman, O.V.; Kuntscher, K.K.; Malygina, L.I.; Muller, E.N.; Telegin, G.F.

    1985-10-01

    In the determination of boron in amorphous alloys containingFe, Co, B, Si, Ni, and P having unusal magnetic and electrical properties, precise analysis and rapid analysis are necessary. To improve the metrological properties of the existing procedure, to find a rapid determination of boron in amorphous alloys, and to verify the accuracy of the results, in the present work the optimization of the photometric determination after extraction of the BF/sup -//sub 4/ ion pair with methylene blue has been studied, and a boron determination by flame photometry using selective methylation has been developed. The determination of boron by the flame photometric and spectrophotometric methods is shown. When a highly precise determination is needed, the spectrophotometric procedure can be used. This procedure is distinguished by its labor intensity and duration. When the need for reproducibility is less severe, the rapid flame photometric procedure is best.

  8. Wear Resistant Amorphous and Nanocomposite Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Racek, O

    2008-03-26

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

  9. Annealing behavior of high permeability amorphous alloys

    International Nuclear Information System (INIS)

    Rabenberg, L.

    1980-06-01

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

  10. Characterization of diamond amorphized by ion implantation

    International Nuclear Information System (INIS)

    Allen, W.R.; Lee, E.H.

    1992-01-01

    Single crystal diamond has been implanted at 1 MeV with 2 x 10 20 Ar/m 2 . Rutherford backscattering spectrometry in a channeled geometry revealed a broad amorphized region underlying a thin, partially crystalline layer. Raman spectroscopy disclosed modifications in the bonding characteristic of the appearance of non-diamond carbon. The complementary nature of the two analysis techniques is demonstrated. The Knoop hardness of the implanted diamond was reduced by implantation

  11. Fluctuation microscopy analysis of amorphous silicon models

    International Nuclear Information System (INIS)

    Gibson, J.M.; Treacy, M.M.J.

    2017-01-01

    Highlights: • Studied competing computer models for amorphous silicon and simulated fluctuation microscopy data. • Show that only paracrystalline/random network composite can fit published data. • Specifically show that pure random network or random network with void models do not fit available data. • Identify a new means to measure volume fraction of ordered material. • Identify unreported limitations of the Debye model for simulating fluctuation microscopy data. - Abstract: Using computer-generated models we discuss the use of fluctuation electron microscopy (FEM) to identify the structure of amorphous silicon. We show that a combination of variable resolution FEM to measure the correlation length, with correlograph analysis to obtain the structural motif, can pin down structural correlations. We introduce the method of correlograph variance as a promising means of independently measuring the volume fraction of a paracrystalline composite. From comparisons with published data, we affirm that only a composite material of paracrystalline and continuous random network that is substantially paracrystalline could explain the existing experimental data, and point the way to more precise measurements on amorphous semiconductors. The results are of general interest for other classes of disordered materials.

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

    Directory of Open Access Journals (Sweden)

    Goedele Craye

    2015-12-01

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

  13. Irradiation-induced amorphization of Cd2Nb2O7 pyrochlore

    International Nuclear Information System (INIS)

    Meldrum, A.; White, C. W.; Keppens, V.; Boatner, L. A.; Ewing, R. C.

    2001-01-01

    Several investigations have recently been undertaken in order to achieve a more complete understanding of the radiation-damage mechanisms in A 2 B 2 O 7 pyrochlore-structure compounds. The present work represents the first systematic study of the irradiation-induced amorphization of a pyrochlore with A- and B-site cation valences of +2 and +5, respectively. Relatively large single crystals of Cd 2 Nb 2 O 7 were grown for these experiments. In situ ion-irradiation experiments were carried out in a transmission electron microscope in conjunction with ex situ Rutherford backscattering measurements of ion-irradiated Cd 2 Nb 2 O 7 single crystals. Cd 2 Nb 2 O 7 can be amorphized in situ by Ne or Xe ions at temperatures up to 480 and 620 K, respectively. At room temperature, the amorphization fluence was 36 times higher for 280 keV Ne + than for 1200 keV Xe 2+ , corresponding to a displacement dose that was higher by a factor of 3. Disordering of Cd and Nb over the available cation sites occurs at intermediate ion doses prior to amorphization. The temperature dependence of the amorphization dose is modeled, and the results are compared to those of a previous model. The bulk-sample Rutherford backscattering spectroscopy (RBS) results were generally consistent with the in situ TEM measurements. Effects of crystallographic orientation and ion charge state had relatively little effect on the damage accumulation in bulk crystals. The RBS data are consistent with a defect-accumulation, cascade-overlap model of amorphization of Cd 2 Nb 2 O 7 , as are the in situ TEM observations

  14. Two orders of magnitude enhancement in oxygen evolution reactivity on amorphous Ba0.5Sr0.5Co0.8Fe0.2O3?? nanofilms with tunable oxidation state

    OpenAIRE

    Chen, Gao; Zhou, Wei; Guan, Daqin; Sunarso, Jaka; Zhu, Yanping; Hu, Xuefeng; Zhang, Wei; Shao, Zongping

    2017-01-01

    Perovskite oxides exhibit potential for use as electrocatalysts in the oxygen evolution reaction (OER). However, their low specific surface area is the main obstacle to realizing a high mass-specific activity that is required to be competitive against the state-of-the-art precious metal?based catalysts. We report the enhanced performance of Ba0.5Sr0.5Co0.8Fe0.2O3?? (BSCF) for the OER with intrinsic activity that is significantly higher than that of the benchmark IrO2, and this result was achi...

  15. Thermal resistances of crystalline and amorphous few-layer oxide thin films

    Directory of Open Access Journals (Sweden)

    Liang Chen

    2017-11-01

    Full Text Available Thermal insulation at nanoscale is of crucial importance for non-volatile memory devices such as phase change memory and memristors. We perform non-equilibrium molecular dynamics simulations to study the effects of interface materials and structures on thermal transport across the few-layer dielectric nanostructures. The thermal resistance across few-layer nanostructures and thermal boundary resistance at interfaces consisting of SiO2/HfO2, SiO2/ZrO2 or SiO2/Al2O3 are obtained for both the crystalline and amorphous structures. Based on the comparison temperature profiles and phonon density of states, we show that the thermal boundary resistances are much larger in crystalline few-layer oxides than the amorphous ones due to the mismatch of phonon density of state between distinct oxide layers. Compared with the bulk SiO2, the increase of thermal resistance across crystalline few-layer oxides results from the thermal boundary resistance while the increase of thermal resistance across amorphous few-layer oxides is attributed to the lower thermal conductivity of the amorphous thin films.

  16. 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.

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

    International Nuclear Information System (INIS)

    Lannin, J.S.

    1988-02-01

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

  18. Amorphous InGaMgO Ultraviolet Photo-TFT with Ultrahigh Photosensitivity and Extremely Large Responsivity

    Directory of Open Access Journals (Sweden)

    Yiyu Zhang

    2017-02-01

    Full Text Available Recently, amorphous InGaZnO ultraviolet photo thin-film transistors have exhibited great potential for application in future display technologies. Nevertheless, the transmittance of amorphous InGaZnO (~80% is still not high enough, resulting in the relatively large sacrifice of aperture ratio for each sensor pixel. In this work, the ultraviolet photo thin-film transistor based on amorphous InGaMgO, which processes a larger bandgap and higher transmission compared to amorphous InGaZnO, was proposed and investigated. Furthermore, the effects of post-deposition annealing in oxygen on both the material and ultraviolet detection characteristics of amorphous InGaMgO were also comprehensively studied. It was found that oxygen post-deposition annealing can effectively reduce oxygen vacancies, leading to an optimized device performance, including lower dark current, higher sensitivity, and larger responsivity. We attributed it to the combined effect of the reduction in donor states and recombination centers, both of which are related to oxygen vacancies. As a result, the 240-min annealed device exhibited the lowest dark current of 1.7 × 10−10 A, the highest photosensitivity of 3.9 × 106, and the largest responsivity of 1.5 × 104 A/W. Therefore, our findings have revealed that amorphous InGaMgO photo thin-film transistors are a very promising alternative for UV detection, especially for application in touch-free interactive displays.

  19. Effect of ball milling on the physicochemical properties of atorvastatin calcium sesquihydrate: the dissolution kinetic behaviours of milled amorphous solids.

    Science.gov (United States)

    Kobayashi, Makiko; Hattori, Yusuke; Sasaki, Tetsuo; Otsuka, Makoto

    2017-01-01

    The purposes of this study were to clarify the amorphization by ball milling of atorvastatin calcium sesquihydrate (AT) and to analyse the change in dissolution kinetics. The amorphous AT was prepared from crystal AT by ball milling and analysed in terms of the changes of its physicochemical properties by powder X-ray diffraction analysis (XRD), thermal analysis and infrared spectroscopy (IR). Moreover, to evaluate the usefulness of the amorphous form for pharmaceutical development, intrinsic solubility of the ground product was evaluated using a dissolution kinetic method. The XRD results indicated that crystalline AT was transformed into amorphous solids by more than 30-min milling. The thermal analysis result suggested that chemical potential of the ground AT are changed significantly by milling. The IR spectra of the AT showed the band shift from the amide group at 3406 cm -1 with an intermolecular hydrogen bond to a free amide group at 3365 cm -1 by milling. The dissolution of amorphous AT follows a dissolution kinetic model involving phase transformation. The initial dissolution rate of the ground product increased with the increase in milling time to reflect the increase in the intrinsic solubility based on the amorphous state. © 2016 Royal Pharmaceutical Society.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-12-15

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

  1. Vacuum ultraviolet photoabsorption spectroscopy of crystalline and amorphous benzene

    DEFF Research Database (Denmark)

    Dawes, Anita; Pascual, Natalia; Hoffmann, Soren V.

    2017-01-01

    We present the first high resolution vacuum ultraviolet photoabsorption study of amorphous benzene with com parisons to annealed crystalline benzene and the gas phase. Vapour deposited benzene layers w ere grow n at 25 K and annealed to 90 K under conditions pertinent to interstellaricy dust grains...... and icy planetary bodies in our solar system. Three single t-single t electronic transitions in solid benzene correspond to the B-1(2u), B-1(1u) and E-1(1u) states, redshifted by 0.05, 0.25 and 0.51 eV respectively with respect to the gas phase. The symmetry forbidden B-1(2u)...

  2. 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...

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

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  4. Atomistic modeling of ion beam induced amorphization in silicon

    International Nuclear Information System (INIS)

    Pelaz, Lourdes; Marques, Luis A.; Lopez, Pedro; Santos, Ivan; Aboy, Maria; Barbolla, Juan

    2005-01-01

    Ion beam induced amorphization in Si has attracted significant interest since the beginning of the use of ion implantation for the fabrication of Si devices. Nowadays, a renewed interest in the modeling of amorphization mechanisms at atomic level has arisen due to the use of preamorphizing implants and high dopant implantation doses for the fabrication of nanometric-scale Si devices. In this work, we briefly describe the existing phenomenological and defect-based amorphization models. We focus on the atomistic model we have developed to describe ion beam induced amorphization in Si. In our model, the building block for the amorphous phase is the bond defect or IV pair, whose stability increases with the number of surrounding IV pairs. This feature explains the regrowth behavior of different damage topologies and the kinetics of the crystalline to amorphous transition. The model provides excellent quantitative agreement with experimental results

  5. Acoustic Anomalies and Fast Relaxation Dynamics of Amorphous Progesterone as Revealed by Brillouin Light Scattering

    Directory of Open Access Journals (Sweden)

    Tae Hyun Kim

    2017-12-01

    Full Text Available The amorphous state of pharmaceuticals has attracted much attention due to its high bioavailability and other advantages. The stability of the amorphous state in relation with the local molecular mobility is important from both fundamental and practical points of view. The acoustic properties of amorphous progesterone, one of the representative steroid hormones, were investigated by using a Brillouin inelastic light scattering technique. The Brillouin spectrum of the longitudinal acoustic mode exhibited distinct changes at the glass transition and the cold-crystallization temperatures. The acoustic dispersions of the longitudinal sound velocity and the acoustic absorption coefficient were attributed to the fast and possibly the secondary relaxation processes in the glassy and supercooled liquid states, while the structural relaxation process was considered as the dominant origin for the significant acoustic damping observed even in the liquid phase. The persisting acoustic dispersion in the liquid state was attributed to the single-molecule nature of the progesterone which does not exhibit hydrogen bonds in the condensed states.

  6. 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

  7. Amorphization of equimolar alloys with HCP elements during mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yu-Liang [Materials and Electro-Optics Research Division, Chung-Shan Institute of Science and Technology, Armaments Bureau, MND, P.O. Box 90008-8-5, Lung-Tan, Tao-Yuan 32599, Taiwan (China); Department of Materials Science and Engineering, National Tsing Hua University, 101, Sec. 2, Kuang-Fu Road, Hsinchu 30013, Taiwan (China); Tsai, Che-Wei; Juan, Chien-Chang; Chuang, Ming-Hao [Department of Materials Science and Engineering, National Tsing Hua University, 101, Sec. 2, Kuang-Fu Road, Hsinchu 30013, Taiwan (China); Yeh, Jien-Wei, E-mail: jwyeh@mx.nthu.edu.t [Department of Materials Science and Engineering, National Tsing Hua University, 101, Sec. 2, Kuang-Fu Road, Hsinchu 30013, Taiwan (China); Chin, Tsung-Shune [Department of Materials Science and Engineering, Feng Chia University, 100, Wenhwa Rd., Seatwen District, Taichung 40724, Taiwan (China); Chen, Swe-Kai [Center for Nanotechnology, Materials Science and Microsystems, National Tsing Hua University, 101, Sec. 2, Kuang-Fu Road, Hsinchu 30013, Taiwan (China)

    2010-09-10

    This study prepares two equimolar alloys, entirely composed of HCP elements, BeCoMgTi and BeCoMgTiZn, from elemental powders by mechanical alloying. No crystalline solid solutions and compounds formed during milling except an amorphous phase formed gradually until full amorphization was attained. The amorphization processes of these two alloys conform to type II according to the Weeber and Bakker classification based on binary alloys. The inhibition of crystalline solid solutions and compounds before amorphization relates to chemical compatibility, high entropy effect and large atomic size difference effect.

  8. 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.

  9. Fast surface crystallization of amorphous griseofulvin below T g.

    Science.gov (United States)

    Zhu, Lei; Jona, Janan; Nagapudi, Karthik; Wu, Tian

    2010-08-01

    To study crystal growth rates of amorphous griseofulvin (GSF) below its glass transition temperature (T (g)) and the effect of surface crystallization on the overall crystallization kinetics of amorphous GSF. Amorphous GSF was generated by melt quenching. Surface and bulk crystal growth rates were determined using polarized light microscope. X-ray powder diffraction (XRPD) and Raman microscopy were used to identify the polymorph of the crystals. Crystallization kinetics of amorphous GSF powder stored at 40 degrees C (T (g)-48 degrees C) and room temperature (T (g)-66 degrees C) was monitored using XRPD. Crystal growth at the surface of amorphous GSF is 10- to 100-fold faster than that in the bulk. The surface crystal growth can be suppressed by an ultrathin gold coating. Below T (g), the crystallization of amorphous GSF powder was biphasic with a rapid initial crystallization stage dominated by the surface crystallization and a slow or suspended late stage controlled by the bulk crystallization. GSF exhibits the fastest surface crystallization kinetics among the known amorphous pharmaceutical solids. Well below T (g), surface crystallization dominated the overall crystallization kinetics of amorphous GSF powder. Thus, surface crystallization should be distinguished from bulk crystallization in studying, modeling and controlling the crystallization of amorphous solids.

  10. Amorphization of silicon by femtosecond laser pulses

    International Nuclear Information System (INIS)

    Jia, Jimmy; Li Ming; Thompson, Carl V.

    2004-01-01

    We have used femtosecond laser pulses to drill submicron holes in single crystal silicon films in silicon-on-insulator structures. Cross-sectional transmission electron microscopy and energy dispersive x-ray analysis of material adjacent to the ablated holes indicates the formation of a layer of amorphous Si. This demonstrates that even when material is ablated using femtosecond pulses near the single pulse ablation threshold, sufficient heating of the surrounding material occurs to create a molten zone which solidifies so rapidly that crystallization is bypassed

  11. Protective amorphous carbon coatings on glass substrates

    Science.gov (United States)

    Silins, Kaspars; Baránková, Hana; Bardos, Ladislav

    2017-11-01

    Thick amorphous carbon films were deposited by the Magnets-in-Motion (M-M) rf linear hollow cathode at varying acetylene contents in Ar in a hybrid PVD/PE-CVD process directly on glass substrates. The hollow cathode plates manufactured from graphite were used as the PVD target. The measurements show that the films can reach thickness of up to 50 μm at deposition rates of up to 2.5 μm/min. Scratch test measurements confirm that well adhering films several μm thick can be achieved at C2H2 contents of up to 0.5%.

  12. Medical imaging applications of amorphous silicon

    International Nuclear Information System (INIS)

    Mireshghi, A.; Drewery, J.S.; Hong, W.S.; Jing, T.; Kaplan, S.N.; Lee, H.K.; Perez-Mendez, V.

    1994-07-01

    Two dimensional hydrogenated amorphous silicon (a-Si:H) pixel arrays are good candidates as flat-panel imagers for applications in medical imaging. Various performance characteristics of these imagers are reviewed and compared with currently used equipments. An important component in the a-Si:H imager is the scintillator screen. A new approach for fabrication of high resolution CsI(Tl) scintillator layers, appropriate for coupling to a-Si:H arrays, are presented. For nuclear medicine applications, a new a-Si:H based gamma camera is introduced and Monte Carlo simulation is used to evaluate its performance

  13. Use of enthalpy and Gibbs free energy to evaluate the risk of amorphous formation.

    Science.gov (United States)

    Hsieh, Daniel S; Sarsfield, Beth A; Davidovich, Martha; DiMemmo, Lynn M; Chang, Shih-Ying; Kiang, San

    2010-09-01

    The control of crystalline and amorphous phases is important during the development of a new drug candidate. Our approach begins with an understanding of the thermodynamics of these two phases. We have developed a quantitative yet practical work flow consisting of three steps towards the analysis of the risk of amorphous material formation. First, we derive the thermodynamic equations to calculate the enthalpy, Gibbs free energy, and the solubility of each phase and their differences as a function of temperature. The enthalpy for each crystalline drug substance at its melting point is selected as the reference state to enable a consistent approach for all analysis. Second, we use data from DSC measurements and the derived thermodynamic equations to construct the enthalpy, Gibbs free energy and solubility diagrams so as to compare the characteristics of these two phases. Finally, we use the results of these calculations to evaluate the potential risk of crystalline-to-amorphous phase conversion during processing of either the drug substance or the drug product. In addition, the impact of amorphous formation on solubility is evaluated. Two drug candidates are used to illustrate this workflow for risk analysis.

  14. Low-Temperature Synthesis of Hierarchical Amorphous Basic Nickel Carbonate Particles for Water Oxidation Catalysis.

    Science.gov (United States)

    Yang, Yisu; Liang, Fengli; Li, Mengran; Rufford, Thomas E; Zhou, Wei; Zhu, Zhonghua

    2015-07-08

    Amorphous nickel carbonate particles are catalysts for the oxygen evolution reaction (OER), which plays a critical role in the electrochemical splitting of water. The amorphous nickel carbonate particles can be prepared at a temperature as low as 60 °C by an evaporation-induced precipitation (EIP) method. The products feature hierarchical pore structures. The mass-normalized activity of the catalysts, measured at an overpotential of 0.35 V, was 55.1 A g(-1) , with a Tafel slope of only 60 mV dec(-1) . This catalytic activity is superior to the performance of crystalline NiOx particles and β-Ni(OH)2 particles, and compares favorably to state-of-the-art RuO2 catalysts. The activity of the amorphous nickel carbonate is remarkably stable during a 10 000 s chronoamperometry test. Further optimization of synthesis parameters reveals that the amorphous structure can be tuned by adjusting the H2 O/Ni ratio in the precursor mixture. These results suggest the potential application of easily prepared hierarchical basic nickel carbonate particles as cheap and robust OER catalysts with high activity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Photoluminescence properties of BaMoO4 amorphous thin films

    International Nuclear Information System (INIS)

    Marques, Ana Paula Azevedo; Melo, Dulce M.A. de; Longo, Elson; Paskocimas, Carlos A.; Pizani, Paulo S.; Leite, Edson R.

    2005-01-01

    BaMoO 4 amorphous and crystalline thin films were prepared from polymeric precursors. The BaMoO 4 was deposited onto Si wafers by means of the spinning technique. The structure and optical properties of the resulting films were characterized by FTIR reflectance spectra, X-ray diffraction (XRD), atomic force microscopy (AFM) and optical reflectance. The bond Mo-O present in BaMoO 4 was confirmed by FTIR reflectance spectra. XRD characterization showed that thin films heat-treated at 600 and 200 deg. C presented the scheelite-type crystalline phase and amorphous, respectively. AFM analyses showed a considerable variation in surface morphology by comparing samples heat-treated at 200 and 600 deg. C. The reflectivity spectra showed two bands, positioned at 3.38 and 4.37 eV that were attributed to the excitonic state of Ba 2+ and electronic transitions within MoO 2- 4 , respectively. The optical band gaps of BaMoO 4 were 3.38 and 2.19 eV, for crystalline (600 deg. C/2 h) and amorphous (200 deg. C/8 h) films, respectively. The room-temperature luminescence spectra revealed an intense single-emission band in the visible region. The PL intensity of these materials was increased upon heat-treatment. The excellent optical properties observed for BaMoO 4 amorphous thin films suggested that this material is a highly promising candidate for photoluminescent applications

  16. 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...

  17. Thermodynamical modeling of nuclear glasses: coexistence of amorphous phases

    International Nuclear Information System (INIS)

    Adjanor, G.

    2007-11-01

    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)

  18. Molecular Dynamics, Recrystallization Behavior, and Water Solubility of the Amorphous Anticancer Agent Bicalutamide and Its Polyvinylpyrrolidone Mixtures.

    Science.gov (United States)

    Szczurek, Justyna; Rams-Baron, Marzena; Knapik-Kowalczuk, Justyna; Antosik, Agata; Szafraniec, Joanna; Jamróz, Witold; Dulski, Mateusz; Jachowicz, Renata; Paluch, Marian

    2017-04-03

    In this paper, we investigated the molecular mobility and physical stability of amorphous bicalutamide, a poorly water-soluble drug widely used in prostate cancer treatment. Our broadband dielectric spectroscopy measurements and differential scanning calorimetry studies revealed that amorphous BIC is a moderately fragile material with a strong tendency to recrystallize from the amorphous state. However, mixing the drug with polymer polyvinylpyrrolidone results in a substantial improvement of physical stability attributed to the antiplasticizing effect governed by the polymer additive. Furthermore, IR study demonstrated the existence of specific interactions between the drug and excipient. We found out that preparation of bicalutamide-polyvinylpyrrolidone mixture in a 2-1 weight ratio completely hinder material recrystallization. Moreover, we determined the time-scale of structural relaxation in the glassy state for investigated materials. Because molecular mobility is considered an important factor governing crystallization behavior, such information was used to approximate the long-term physical stability of an amorphous drug and drug-polymer systems upon their storage at room temperature. Moreover, we found that such systems have distinctly higher water solubility and dissolution rate in comparison to the pure amorphous form, indicating the genuine formulation potential of the proposed approach.

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

    Science.gov (United States)

    Gondro, J.; Świerczek, J.; Rzącki, J.; Ciurzyńska, W.; Olszewski, J.; Zbroszczyk, J.; Błoch, K.; Osyra, M.; Łukiewska, A.

    2013-09-01

    Transmission Mössbauer spectra of amorphous Fe86Zr7Nb1Cu1B5, Fe81Zr7Nb1Cu1B10 and Fe81Pt5Zr7Nb1Cu1B5 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 Fe86Zr7Nb1Cu1B5 and Fe81Zr7Nb1Cu1B10 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 Fe81Pt5Zr7Nb1Cu1B5 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 Fe86Zr7Nb1Cu1B5 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.

  20. 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)

  1. 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.

  2. Recent advances in co-amorphous drug formulations

    DEFF Research Database (Denmark)

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

    2016-01-01

    Co-amorphous drug delivery systems have recently gained considerable interest in the pharmaceutical field because of their potential to improve oral bioavailability of poorly water-soluble drugs through drug dissolution enhancement as a result of the amorphous nature of the material. A co...

  3. 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…

  4. CONDUCTION MECHANISM IN AMORPHOUS As2S3

    African Journals Online (AJOL)

    User

    port measurements in disordered semiconduc- tors and .... 2, with T0 = Eg/2. Eg is the mobility gap and has the same value (2.15 Ev) over the whole measured temperature range. This indicates that the conduction in amorphous As2S3 is intrinsic ... 2 : lnρ as a function of reciprocal temperature for amorphous As2S3. 15. 17.

  5. Amorphous Computing: A Research Agenda for the Near Future

    Czech Academy of Sciences Publication Activity Database

    Wiedermann, Jiří

    2012-01-01

    Roč. 11, č. 1 (2012), s. 59-63 ISSN 1567-7818 R&D Projects: GA ČR GAP202/10/1333 Institutional research plan: CEZ:AV0Z10300504 Keywords : amorphous computing * nano-machines * flying amorphous computer Subject RIV: IN - Informatics, Computer Science Impact factor: 0.683, year: 2012

  6. A beam position monitor using an amorphous magnetic core

    International Nuclear Information System (INIS)

    Kobayashi, Toshiaki; Ueda, Toru; Yoshida, Yoichi; Kozawa, Takahiro; Uesaka, Mitsuru; Miya, Kenzo; Tagawa, Seiichi; Kobayashi, Hitoshi.

    1994-01-01

    A beam position monitor for an electron accelerator has been developed by using an amorphous magnetic core. The position is detected by the difference of leakage inductances of four pickup coils wound on the amorphous magnetic core. The accuracy of the beam position monitor is less than 1 mm for the various electron pulses from nanosecond to microsecond. (author)

  7. Phase transformations of amorphous semiconductor alloys under high pressures

    CERN Document Server

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

    2002-01-01

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

  8. Prenatal toxicity of synthetic amorphous silica nanomaterial in rats

    NARCIS (Netherlands)

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

    2015-01-01

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

  9. Calorimetric studies of non-isothermal crystallization in amorphous

    Indian Academy of Sciences (India)

    Administrator

    The applicability of Meyer–Neldel relation between the pre-exponential factor and activation energy of non-isothermal crystallization for amorphous alloys of Cu–Ti system was verified. Keywords. Amorphous materials; differential scanning calorimetry (DSC); phase transitions. 1. Introduction. There is a significant attention ...

  10. Devitrification of rapidly quenched Al–Cu–Ti amorphous alloys

    Indian Academy of Sciences (India)

    Unknown

    spinning, the entire apparatus was ... The crystallization behaviour of these amorphous alloys has been studied using DSC 2910 (TA ... Thus the change in the structure of amorphous Al50Cu45Ti5 and Al45Cu45Ti10 alloys may be summarized as ...

  11. Amorphization kinetics of Zr3Fe under electron irradiation

    International Nuclear Information System (INIS)

    Motta, A.T.; Howe, L.M.; Okamoto, P.R.

    1992-10-01

    0.9 MeV electron irradiations were performed at 28--220 K in a high-voltage electron microscope (HVEM). By measuring onset, spread and final size of the amorphous region, factoring in the Guassian distribution of the beam, a kinetic description of the amorphization in terms of dose, dose rate and temperature was obtained. The critical temperature for amorphization by electron irradiation was found to be ∼220 K, compared to 570--625 K for 40 Ar ion irradiation. Also, the dose-to-amorphization increased exponentially with temperature. Results indicated that the rate of growth of the amorphous region under the electron beam decreased with increasing temperature and the does-to-amorphization decreased with increasing dose rate. The size of the amorphous region saturated after a region dose, the final size decreasing with increasing temperature, and it was argued that this is related to the existence of a critical dose rate, which increased with temperature, below which no amorphization occurred. The above observations can be understood in the framework of the kinetics of damage accumulation under irradiation

  12. 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...

  13. Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

    Science.gov (United States)

    Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

    2008-11-01

    Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

  14. 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

  15. Amorphous molybdenum sulfides as hydrogen evolution catalysts.

    Science.gov (United States)

    Morales-Guio, Carlos G; Hu, Xile

    2014-08-19

    Providing energy for a population projected to reach 9 billion people within the middle of this century is one of the most pressing societal issues. Burning fossil fuels at a rate and scale that satisfy our near-term demand will irreversibly damage the living environment. Among the various sources of alternative and CO2-emission-free energies, the sun is the only source that is capable of providing enough energy for the whole world. Sunlight energy, however, is intermittent and requires an efficient storage mechanism. Sunlight-driven water splitting to make hydrogen is widely considered as one of the most attractive methods for solar energy storage. Water splitting needs a hydrogen evolution catalyst to accelerate the rate of hydrogen production and to lower the energy loss in this process. Precious metals such as Pt are superior catalysts, but they are too expensive and scarce for large-scale applications. In this Account, we summarize our recent research on the preparation, characterization, and application of amorphous molybdenum sulfide catalysts for the hydrogen evolution reaction. The catalysts can be synthesized by electrochemical deposition under ambient conditions from readily available and inexpensive precursors. The catalytic activity is among the highest for nonprecious catalysts. For example, at a loading of 0.2 mg/cm(2), the optimal catalyst delivers a current density of 10 mA/cm(2) at an overpotential of 160 mV. The growth mechanism of the electrochemically deposited film catalysts was revealed by an electrochemical quartz microcrystal balance study. While different electrochemical deposition methods produce films with different initial compositions, the active catalysts are the same and are identified as a "MoS(2+x)" species. The activity of the film catalysts can be further promoted by divalent Fe, Co, and Ni ions, and the origins of the promotional effects have been probed. Highly active amorphous molybdenum sulfide particles can also be prepared

  16. Salt Fog Testing Iron-Based Amorphous Alloys

    International Nuclear Information System (INIS)

    Rebak, Raul B.; Aprigliano, Louis F.; Day, S. Daniel; Farmer, Joseph C.

    2007-01-01

    Iron-based amorphous alloys are hard and highly corrosion resistant, which make them desirable for salt water and other applications. These alloys can be produced as powder and can be deposited as coatings on any surface that needs to be protected from the environment. It was of interest to examine the behavior of these amorphous alloys in the standard salt-fog testing ASTM B 117. Three different amorphous coating compositions were deposited on 316L SS coupons and exposed for many cycles of the salt fog test. Other common engineering alloys such as 1018 carbon steel, 316L SS and Hastelloy C-22 were also tested together with the amorphous coatings. Results show that amorphous coatings are resistant to rusting in salt fog. Partial devitrification may be responsible for isolated rust spots in one of the coatings. (authors)

  17. Pressure-induced structural transformation in radiation-amorphized zircon.

    Science.gov (United States)

    Trachenko, Kostya; Brazhkin, V V; Tsiok, O B; Dove, Martin T; Salje, E K H

    2007-03-30

    We study the response of a radiation-amorphized material to high pressure. We have used zircon ZrSiO4 amorphized by natural radiation over geologic times, and have measured its volume under high pressure, using the precise strain-gauge technique. On pressure increase, we observe apparent softening of the material, starting from 4 GPa. Using molecular dynamics simulation, we associate this softening with the amorphous-amorphous transformation accompanied by the increase of local coordination numbers. We observe permanent densification of the quenched sample and a nontrivial "pressure window" at high temperature. These features point to a new class of amorphous materials that show a response to pressure which is distinctly different from that of crystals.

  18. Nanostructural characterization of amorphous diamondlike carbon films

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-01-27

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

  19. 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.

  20. Extracting Crystal Chemistry from Amorphous Carbon Structures.

    Science.gov (United States)

    Deringer, Volker L; Csányi, Gábor; Proserpio, Davide M

    2017-04-19

    Carbon allotropes have been explored intensively by ab initio crystal structure prediction, but such methods are limited by the large computational cost of the underlying density functional theory (DFT). Here we show that a novel class of machine-learning-based interatomic potentials can be used for random structure searching and readily predicts several hitherto unknown carbon allotropes. Remarkably, our model draws structural information from liquid and amorphous carbon exclusively, and so does not have any prior knowledge of crystalline phases: it therefore demonstrates true transferability, which is a crucial prerequisite for applications in chemistry. The method is orders of magnitude faster than DFT and can, in principle, be coupled with any algorithm for structure prediction. Machine-learning models therefore seem promising to enable large-scale structure searches in the future. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Phyllosilicates and Amorphous Gel in the Nakhlites

    Science.gov (United States)

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

    2013-09-01

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

  2. 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...

  3. 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

  4. Magnetic and magnetocaloric properties of amorphous Y{sub 3}Fe{sub 5}O{sub 12} compound

    Energy Technology Data Exchange (ETDEWEB)

    Nóbrega, E.P., E-mail: pilad@cbpf.br; Costa, S.S.; Alvarenga, T.S.T.; Alho, B.P.; Caldas, A.; Ribeiro, P.O.; Sousa, V.S.R de; Oliveira, N.A. de; Ranke, P.J. von

    2017-01-15

    We report a theoretical model formed by two coupled magnetic sublattices of localized spins in the presence of an applied magnetic field to investigate the magnetic characteristics and magnetocaloric properties of amorphous yttrium iron garnet. The magnetic state equation is based on Handrich–Kobe´s theory, where the amorphization is taken into account by introducing fluctuations in the exchange parameters. Experimental results report that Y{sub 3}Fe{sub 5}O{sub 12} presents a structural phase transition from crystalline to amorphous caused by a variation of external pressure. This phase transition on Y{sub 3}Fe{sub 5}O{sub 12} leads to interesting results in the magnetic properties and magnetocaloric quantities. - Highlights: • Study of magnetic and magnetocaloric properties of amorphous Y{sub 3}Fe{sub 5}O{sub 12} compound. • Theoretical model formed by two coupled magnetic sublattices of localized spins in the presence of an applied magnetic field. • The influence of crystalline/amorphous transition on the magnetocaloric effect.

  5. 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.

  6. 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

  7. 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......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...... 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....

  8. 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.

  9. Interactions of atomic hydrogen with amorphous SiO2

    Science.gov (United States)

    Yue, Yunliang; Wang, Jianwei; Zhang, Yuqi; Song, Yu; Zuo, Xu

    2018-03-01

    Dozens of models are investigated by the first-principles calculations to simulate the interactions of an atomic hydrogen with a defect-free random network of amorphous SiO2 (a-SiO2) and oxygen vacancies. A wide variety of stable configurations are discovered due to the disorder of a-SiO2, and their structures, charges, magnetic moments, spin densities, and density of states are calculated. The atomic hydrogen interacts with the defect-free a-SiO2 in positively or negatively charged state, and produces the structures absent in crystalline SiO2. It passivates the neutral oxygen vacancies and generates two neutral hydrogenated E‧ centers with different Si dangling bond projections. Electron spin resonance parameters, including Fermi contacts, and g-tensors, are calculated for these centers. The atomic hydrogen interacts with the positive oxygen vacancies in dimer configuration, and generate four different positive hydrogenated defects, two of which are puckered like the Eγ‧ centers. This research helps to understand the interactions between an atomic hydrogen, and defect-free a-SiO2 and oxygen vacancies, which may generate the hydrogen-complexed defects that play a key role in the degeneration of silicon/silica-based microelectronic devices.

  10. Preparation and structural characterization of amorphous spray-dried dispersions of tenoxicam with enhanced dissolution.

    Science.gov (United States)

    Patel, Jagdishwar R; Carlton, Robert A; Yuniatine, Fnu; Needham, Thomas E; Wu, Lianming; Vogt, Frederick G

    2012-02-01

    Tenoxicam is a poorly soluble nonsteroidal anti-inflammatory drug. In this work, the solubility of tenoxicam is enhanced using amorphous spray-dried dispersions (SDDs) prepared using two molar equivalents of l-arginine and optionally with 10%-50% (w/w) polyvinylpyrrolidone (PVP). When added to the dispersions, PVP is shown to improve physical properties and also assists in maintaining supersaturation in solution. The dispersions provide a twofold increase over equilibrium solubility at the same pH. The dispersions are characterized using electron microscopy, vibrational spectroscopy, diffuse-reflectance visible spectroscopy, and X-ray powder diffraction. The structures of the dispersions are probed using solid-state nuclear magnetic resonance (SSNMR) experiments applied to the (1) H, (13) C, and (15) N nuclei, including two-dimensional dipolar correlation experiments that detect molecular association and the formation of a glass solution between tenoxicam, l-arginine, and PVP. Other aspects of the amorphous structure, including hydrogen-bonding interactions and the ionization state of tenoxicam and l-arginine, are also explored using SSNMR methods. These methods are used to show that the SDDs contain an amorphous l-arginine salt of tenoxicam in a glass solution that also includes PVP when present. Finally, the dispersions show only a minor decrease in chemical stability during accelerated stability studies relative to a crystalline form of tenoxicam. Copyright © 2011 Wiley Periodicals, Inc.

  11. An amorphous silicon photodiode with 2 THz gain-bandwidth product based on cycling excitation process

    Science.gov (United States)

    Yan, Lujiang; Yu, Yugang; Zhang, Alex Ce; Hall, David; Niaz, Iftikhar Ahmad; Raihan Miah, Mohammad Abu; Liu, Yu-Hsin; Lo, Yu-Hwa

    2017-09-01

    Since impact ionization was observed in semiconductors over half a century ago, avalanche photodiodes (APDs) using impact ionization in a fashion of chain reaction have been the most sensitive semiconductor photodetectors. However, APDs have relatively high excess noise, a limited gain-bandwidth product, and high operation voltage, presenting a need for alternative signal amplification mechanisms of superior properties. As an amplification mechanism, the cycling excitation process (CEP) was recently reported in a silicon p-n junction with subtle control and balance of the impurity levels and profiles. Realizing that CEP effect depends on Auger excitation involving localized states, we made the counter intuitive hypothesis that disordered materials, such as amorphous silicon, with their abundant localized states, can produce strong CEP effects with high gain and speed at low noise, despite their extremely low mobility and large number of defects. Here, we demonstrate an amorphous silicon low noise photodiode with gain-bandwidth product of over 2 THz, based on a very simple structure. This work will impact a wide range of applications involving optical detection because amorphous silicon, as the primary gain medium, is a low-cost, easy-to-process material that can be formed on many kinds of rigid or flexible substrates.

  12. Solubility advantage of amorphous pharmaceuticals: I. A thermodynamic analysis.

    Science.gov (United States)

    Murdande, Sharad B; Pikal, Michael J; Shanker, Ravi M; Bogner, Robin H

    2010-03-01

    In recent years there has been growing interest in advancing amorphous pharmaceuticals as an approach for achieving adequate solubility. Due to difficulties in the experimental measurement of solubility, a reliable estimate of the solubility enhancement ratio of an amorphous form of a drug relative to its crystalline counterpart would be highly useful. We have developed a rigorous thermodynamic approach to estimate enhancement in solubility that can be achieved by conversion of a crystalline form to the amorphous form. We rigorously treat the three factors that contribute to differences in solubility between amorphous and crystalline forms. First, we calculate the free energy difference between amorphous and crystalline forms from thermal properties measured by modulated differential scanning calorimetry (MDSC). Secondly, since an amorphous solute can absorb significant amounts of water, which reduces its activity and solubility, a correction is made using water sorption isotherm data and the Gibbs-Duhem equation. Next, a correction is made for differences in the degree of ionization due to differences in solubilities of the two forms. Utilizing this approach the theoretically estimated solubility enhancement ratio of 7.0 for indomethacin (amorphous/gamma-crystal) was found to be in close agreement with the experimentally determined ratio of 4.9. 2009 Wiley-Liss, Inc. and the American Pharmacists Association

  13. Probing Stochastic Nano-Scale Inelastic Events in Stressed Amorphous Metal

    Science.gov (United States)

    Yang, Y.; Fu, X. L.; Wang, S.; Liu, Z. Y.; Ye, Y. F.; Sun, B. A.; Liu, C. T.

    2014-10-01

    One fundamental yet longstanding issue in materials science is how local inelasticity arises within an amorphous structure before yielding occurs. Although many possible scenarios were postulated or predicted by theories and simulations,however, direct experimental evidence has been lacking today due to the lack of a sensitive way to detect nano-scale inelasticity. Through the carefully designed microcompression method as coupled with the state-of-art nano-scale electric resistance measurement, we here unfold a stochastic inelastic deformation process in a Zr-based metallic glass, which takes place via the recurrence of two types of short-lived inelastic events causing structural damage and recovery, respectively, prior to yielding. Our current findings reveal that these stochastic events not only self-organize into sub-critical events due to elastic coupling, but also compete with each other in a way that enables the whole amorphous structure to self-heal as well as to sustain local damage.

  14. 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...

  15. Molecular origins of anisotropic shock propagation in crystalline and amorphous polyethylene

    Science.gov (United States)

    O'Connor, Thomas C.; Elder, Robert M.; Sliozberg, Yelena R.; Sirk, Timothy W.; Andzelm, Jan W.; Robbins, Mark O.

    2018-03-01

    Molecular dynamics simulations are used to analyze shock propagation in amorphous and crystalline polyethylene. Results for the shock velocity Us are compared to predictions from Pastine's equation of state and hydrostatic theory. The results agree with Pastine at high impact velocities. At low velocities the yield stress becomes important, increasing the shock velocity and leading to anisotropy in the crystalline response. Detailed analysis of changes in atomic order reveals the origin of the anisotropic response. For shock along the polymer backbone, an elastic front is followed by a plastic front where chains buckle with a characteristic wavelength. Shock perpendicular to the chain backbone can produce plastic deformation or transitions to different orthorhombic or monoclinic structures, depending on the impact speed and direction. Tensile loading does not produce stable shocks: Amorphous systems craze and fracture while for crystals the front broadens linearly with time.

  16. Atomic Pairwise Distribution Function Analysis of the Amorphous Phase Prepared by Different Manufacturing Routes

    Directory of Open Access Journals (Sweden)

    Thomas Rades

    2012-01-01

    Full Text Available 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 subjected to quench cooling thereby creating an amorphous form of the drug from both starting materials. The milled and quench cooled samples were, together with the crystalline starting materials, analyzed with X-ray powder diffraction (XRPD, Raman spectroscopy and atomic pair-wise distribution function (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.

  17. A non-resonant RF cavity loaded with amorphous alloy for proton cancer therapy

    CERN Document Server

    Makita, Y; Nayayama, T; Tsuchidate, H; Tsukishima, C; Yoshida, K

    1999-01-01

    A non-resonant RF cavity loaded with amorphous alloy cores has been designed and tested. The cavity has a re-entrant structure loaded with 8 amorphous alloy toroidal core and its characteristic impedance is designed as 450 Omega . The RF power is fed by 1 kW solid state amplifier using a step-up transformer with 1:9 impedance ratio. In the high power test, an accelerating gap voltage of more than 900 V was measured with input power of 1 kW in the frequency range of 1 to 10 MHz. The voltage standing wave ratio (VSWR) was less than 2.0. The results prove that the cavity may be used successfully within a compact proton synchrotron for a cancer therapy facility. (3 refs).

  18. 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

  19. Health hazards due to the inhalation of amorphous silica

    International Nuclear Information System (INIS)

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

    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 emphysema cannot be excluded. There is no

  20. Importance of in vitro dissolution conditions for the in vivo predictability of an amorphous solid dispersion containing a pH-sensitive carrier

    DEFF Research Database (Denmark)

    Wendelboe, Johan; Knopp, Matthias Manne; Khan, Fauzan

    2017-01-01

    The present study investigated the influence of in vitro dissolution conditions on the in vivo predictability of an amorphous solid dispersion of celecoxib (CCX) in the pH-sensitive polymer Eudragit(®) S 100. Different doses of a 25:75w/w% CCX:Eudragit(®) S 100 amorphous solid dispersion (CCX...... performance of amorphous solid dispersions with pH-sensitive polymers, it is imperative that the in vitro dissolution conditions are carefully considered.......:EUD) were investigated. During in vitro dissolution a significant effect of the pH of the dissolution media on the release of CCX was observed. In fasted state simulated intestinal fluid (FaSSIF) pH 6.5, the release of CCX from the amorphous solid dispersion was comparable to that of crystalline CCX...

  1. 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.

  2. 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.

  3. New amorphous interface for precipitate nitrides in steel

    DEFF Research Database (Denmark)

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

    2014-01-01

    According to classical theories precipitate interfaces are described by their degree of coherency with the matrix, which affects their strengthening contribution. Investigations of nitride precipitate interfaces in 12% Cr steels with transmission electron microscopy have shown the nitrides...... to be enveloped in an amorphous shell a few nm thick, thus leaving them without any coherency with the matrix. The amorphous nature of the shells could be ascertained with high resolution microscopy and dark field techniques. When extracted from the ferrite matrix the amorphous shells were observed to crystallize...

  4. Transformation processes during annealing of Al-amorphous alloys

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  5. Transformation processes during annealing of Al-amorphous alloys

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-11-01

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

  6. Density measurement of amorphous SixGe1-x alloys

    International Nuclear Information System (INIS)

    Laaziri, K.; Roorda, S.; Cliche, L.

    1994-01-01

    The atomic density of amorphous Si x Ge 1-x alloys (x = 1, 0.85, 0.67, 0.50, 0.20 and 0) has been measured. Mono-crystalline Si x Ge 1-x layers were implanted with 1.50-2.75 MeV Si 2+ and Ge 2+ ions to produce the amorphous material. Using surface profilometry and RBS/channeling, it was found that amorphous alloys are less dense than the crystalline alloys, and that Vegard's law underestimates the a-Si x Ge 1-x density. (orig.)

  7. Amorphization of C-implanted Fe(Cr) alloys

    International Nuclear Information System (INIS)

    Knapp, J.A.; Follstaedt, D.M.; Sorensen, N.R.; Pope, L.E.

    1991-01-01

    The amorphous phase formed by implanting C into Fe alloyed with Cr, which is a prototype for the amorphous phase formed by implanting C into stainless steels, is compared to that formed by implanting C and Ti into Fe and steels. The composition range of the phase has been examined; higher Cr and C concentrations are required than needed with Ti and C. The friction and wear benefits obtained by implanting stainless steels with C only do not persist for the long durations and high wear loads found with Ti and C. However, the amorphous Fe-Cr-C alloys exhibit good aqueous corrosion resistance. (orig.)

  8. The composition of secondary amorphous phases under different environmental conditions

    Science.gov (United States)

    Smith, R.; Rampe, E. B.; Horgan, B. H. N.; Dehouck, E.; Morris, R. V.

    2017-12-01

    X-ray diffraction (XRD) patterns measured by the CheMin instrument on the Mars Science Laboratory Curiosity rover demonstrate that amorphous phases are major components ( 15-60 wt%) of all rock and soil samples in Gale Crater. The nature of these phases is not well understood and could be any combination of primary (e.g., glass) and secondary (e.g., silica, ferrihydrite) phases. Secondary amorphous phases are frequently found as weathering products in soils on Earth, but these materials remain poorly characterized. Here we study a diverse suite of terrestrial samples including: sediments from recently de-glaciated volcanoes (Oregon), modern volcanic soils (Hawaii), and volcanic paleosols (Oregon) in order to determine how formation environment, climate, and diagenesis affect the abundance and composition of amorphous phases. We combine bulk XRD mineralogy with bulk chemical compositions (XRF) to calculate the abundance and bulk composition of the amorphous materials in our samples. We then utilize scanning transmission electron microscopy (STEM) and energy dispersive x-ray spectroscopy (EDS) to study the composition of individual amorphous phases at the micrometer scale. XRD analyses of 8 samples thus far indicate that the abundance of amorphous phases are: modern soils (20-80 %) > paleosols (15-40 %) > glacial samples (15-30 %). Initial calculations suggest that the amorphous components consist primarily of SiO2, Al2O3, TiO2, FeO and Fe2O3, with minor amounts of other oxides (e.g., MgO, CaO, Na2O). Compared to their respective crystalline counterparts, calculations indicate bulk amorphous components enriched in SiO2 for the glacial sample, and depleted in SiO2 for the modern soil and paleosol samples. STEM analyses reveal that the amorphous components consist of a number of different phases. Of the two samples analyzed using STEM thus far, the secondary amorphous phases have compositions with varying ratios of SiO2, Al2O3, TiO2, and Fe-oxides, consistent with mass

  9. Amorphous photonic crystals with only short-range order.

    Science.gov (United States)

    Shi, Lei; Zhang, Yafeng; Dong, Biqin; Zhan, Tianrong; Liu, Xiaohan; Zi, Jian

    2013-10-04

    Distinct from conventional photonic crystals with both short- and long-range order, amorphous photonic crystals that possess only short-range order show interesting optical responses owing to their unique structural features. Amorphous photonic crystals exhibit unique light scattering and transport, which lead to a variety of interesting phenomena such as isotropic photonic bandgaps or pseudogaps, noniridescent structural colors, and light localization. Recent experimental and theoretical advances in the study of amorphous photonic crystals are summarized, focusing on their unique optical properties, artificial fabrication, bionspiration, and potential applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Development of large area, high efficiency amorphous silicon solar cell

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-02-01

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

  11. Lithium adsorption on amorphous aluminum hydroxides and gibbsite

    OpenAIRE

    Prodromou, Konstantinos P.

    2016-01-01

    Lithium (Li) adsorption on both amorphous aluminum hydroxides and gibbsite was studied. For the amorphous Al(OH)3 the adsorption was found to be pH dependent. Generally, 1.6 times more Li was adsorbed at initial pH value 8.0 compared with pH value 6.50. Gibbsite adsorbed 11.6 to 45.5 times less Li quantities compared with amorphous Al(OH)3. Lithium adsorption was not depended on equilibrium times. It remained stable for all equilibrium times used. Lithium quantities extracted with 1N CH3COONH...

  12. Amorphous Semiconductors: From Photocatalyst to Computer Memory

    Science.gov (United States)

    Sundararajan, Mayur

    Amorphous semiconductors are useful in many applications like solar cells, thin film displays, sensors, electrophotography, etc. The dissertation contains four projects. In the first three projects, semiconductor glasses which are a subset of amorphous semiconductors were studied. The last project is about exploring the strengths and constraints of two analysis programs which calculate the particle size information from experimental Small Angle X-ray Scattering data. By definition, glasses have a random atomic arrangement with no order beyond the nearest neighbor, but strangely there exists an Intermediate Range Order (IRO). The origin of IRO is still not clearly understood, but various models have been proposed. The signature of IRO is the First Sharp Diffraction Peak(FSDP) observed in x-ray and neutron scattering data. The FSDP of TiO 2 SiO2 glass photocatalyst with different Ti:Si ratio from SAXS data was measured to test the theoretical models. The experimental results along with its computer simulation results strongly supported one of two leading models. It was also found that the effect of doping IRO on TiO2 SiO2 is severe in mesoporous form than the bulk form. Glass semiconductors in mesoporous form are very useful photocatalysts due to their large specific surface area. Solar energy conversion of photocatalysts greatly depends on their bandgap, but very few photocatalysts have the optical bandgap covering the whole visible region of solar spectrum leading to poor efficiency. A physical method was developed to manipulate the bandgap of mesoporous photocatalysts, by using the anisotropic thermal expansion and stressed glass network properties of mesoporous glasses. The anisotropic thermal expansion was established by S/WAXS characterization of mesoporous silica (MCM-41). The residual stress in the glass network of mesoporous glasses was already known for an earlier work. The new method was initially applied on mesoporous TiPO4, and the results were

  13. 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

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

    International Nuclear Information System (INIS)

    Ding, K.; Andersen, H.C.

    1987-01-01

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

  15. Synthesis and characterization of amorphous cellulose from triacetate of cellulose

    International Nuclear Information System (INIS)

    Vega-Baudrit, Jose; Sibaja, Maria; Nikolaeva, Svetlana; Rivera A, Andrea

    2014-01-01

    It was carried-out a study for the synthesis and characterization of amorphous cellulose starting from cellulose triacetate. X-rays diffraction was used in order to obtain the cellulose crystallinity degree, also infrared spectroscopy FTIR was used. (author)

  16. Crystallization of HWCVD amorphous silicon thin films at elevated temperatures

    CSIR Research Space (South Africa)

    Muller, TFG

    2006-01-01

    Full Text Available Hot-wire chemical vapour deposition (HWCVD) has been used to prepare both hydrogenated amorphous silicon (a-Si:H) and nano/ microcrystalline thin layers as intrinsic material at different deposition conditions, in order to establish optimum...

  17. Structural observation of amorphous alloys by neutron diffraction

    International Nuclear Information System (INIS)

    Fukunaga, Toshiharu; Itoh, Keiji

    2006-01-01

    Neutron diffraction is a powerful tool to elucidate the atomic arrangement of amorphous alloys because of characteristic scattering lengths of constituent elements. For hydrogen absorption amorphous alloys H/D isotopic substitution was employed to observe the location of deuterium atoms because the neutron coherent scattering length of deuterium is large enough to observe in comparison with those of the constituent atoms. Moreover, Reverse Monte Carlo (RMC) modeling has been recognized to be an excellent method for visualizing the three-dimensional atomic arrangement of amorphous alloys, based on the results of neutron and X-ray diffraction experiments. Therefore, the combination of neutron, X-ray diffraction experiments and the RMC modeling was used to clarify the topological characteristics of the structure of amorphous alloys. (author)

  18. Hall Mobility of Amorphous Ge2Sb2Te5

    National Research Council Canada - National Science Library

    Baily, S. A; Emin, David; Li, Heng

    2006-01-01

    The electrical conductivity, Seebeck coefficient, and Hall coefficient of 3 micron thick films of amorphous Ge2Sb2Te5 have been measured as functions of temperature from room temperature down to as low as 200 K...

  19. Amorphous silicon films doped with BF3 and PF5

    International Nuclear Information System (INIS)

    Ortiz, A.; Muhl, S.; Sanchez, A.; Monroy, R.; Pickin, W.

    1984-01-01

    By using gaseous discharge process, thin films of hydrogenated amorphous silicon (a-Si:H) were produced. This process consists of Silane (SiH 4 ) decomposition at low pressure, in a chamber. (A.C.A.S.) [pt

  20. Amorphous and nanocrystalline materials preparation, properties, and applications

    CERN Document Server

    Inoue, A

    2001-01-01

    Amorphous and nanocrystalline materials are a class of their own. Their properties are quite different to those of the corresponding crystalline materials. This book gives systematic insight into their physical properties, structure, behaviour, and design for special advanced applications.

  1. Local order and magnetism of amorphous and disordered solids

    International Nuclear Information System (INIS)

    Friedt, J.M.

    1985-01-01

    Some topics related with the magnetic properties and local order in amorphous and disordered solids studied by Moessbauer spectroscopy, EXAFS, static and dynamical susceptibilities are presented. (L.C.) [pt

  2. Designed synthesis of tunable amorphous carbon nanotubes (a ...

    Indian Academy of Sciences (India)

    Administrator

    Page 1. Electronic Supplementary Material. Graphical abstract. Designed synthesis of tunable amorphous carbon nanotubes (a-CNTs) by a novel route and their oxidation resistance properties by Longlong. Xu et al (pp 1397–1402).

  3. Stray field interaction of stacked amorphous tapes

    International Nuclear Information System (INIS)

    Guenther, Wulf; Flohrer, Sybille

    2008-01-01

    In this study, magnetic cores made of amorphous rectangular tape layers are investigated. The quality factor Q of the tape material decreases rapidly, however, when stacking at least two tape layers. The hysteresis loop becomes non-linear, and the coercivity increases. These effects are principally independent of the frequency and occur whether tape layers are insulated or not. The Kerr-microscopy was used to monitor local hysteresis loops by varying the distance of two tape layers. The magnetization direction of each magnetic domain is influenced by the anisotropy axis, the external magnetic field and the stray field of magnetic domains of the neighboring tape layers. We found that crossed easy axes (as the extreme case for inclined axes) of congruent domains retain the remagnetization and induce a plateau of the local loop. Summarizing local loops leads to the observed increase of coercivity and non-linearity of the inductively measured loop. A high Q-factor can be preserved if the easy axes of stacked tape layers are identical within the interaction range in the order of mm

  4. Sustained-release amorphous solid dispersions.

    Science.gov (United States)

    Maincent, Julien; Williams, Robert O

    2018-03-01

    The use of amorphous solid dispersions (ASD) to overcome poor drug solubility has gained interest in the pharmaceutical industry over the past decade. ASDs are challenging to formulate because they are thermodynamically unstable, and the dispersed drugs tend to recrystallize. Until now, most research on ASDs has focused on immediate-release formulations, supersaturation, and stability; only a few studies have recently reported on the manufacturing of sustained-release ASDs. Sustained-release ASDs can minimize the frequency of administration and prevent high concentrations that can lead to toxicity. Sustained-release ASDs can also decrease the reprecipitation rate in the medium, which can lead to increased bioavailability. However, sustained-release ASDs also pose some significant challenges, such as intramatrix recrystallization, inhibition of drug release as a result of drug-polymer gelling, and low supersaturation due to a slow dissolution rate. This review details the challenges and the formulation approaches that have been investigated to manufacture sustained-release ASDs. In particular, the advantages and drawbacks of hydrophilic polymers, hydrophobic polymers, and lipid-based systems are discussed.

  5. Nanostructural characterization of amorphous diamondlike carbon films

    Energy Technology Data Exchange (ETDEWEB)

    Siegal, M. P. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States); Tallant, D. R. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States); Martinez-Miranda, L. J. [University of Maryland, Department of Materials and Nuclear Engineering, College Park, Maryland 20742 (United States); Barbour, J. C. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States); Simpson, R. L. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States); Overmyer, D. L. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

    2000-04-15

    Nanostructural characterization of amorphous diamondlike carbon (a-C) films grown on silicon using pulsed-laser deposition (PLD) is correlated to both growth energetics and film thickness. Raman spectroscopy and x-ray reflectivity probe both the topological nature of three- and four-fold coordinated carbon atom bonding and the topographical clustering of their distributions within a given film. In general, increasing the energetics of PLD growth results in films becoming more ''diamondlike,'' i.e., increasing mass density and decreasing optical absorbance. However, these same properties decrease appreciably with thickness. The topology of carbon atom bonding is different for material near the substrate interface compared to material within the bulk portion of an a-C film. A simple model balancing the energy of residual stress and the free energies of resulting carbon topologies is proposed to provide an explanation of the evolution of topographical bonding clusters in a growing a-C film. (c) 2000 The American Physical Society.

  6. 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.

  7. Synthesis of Siloxanes Directly from Amorphous Silica

    International Nuclear Information System (INIS)

    Myint Sandar Win

    2011-12-01

    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.

  8. Mechanical Performance of Amorphous Metallic Cellular Structures

    Science.gov (United States)

    Schramm, Joseph P.

    Metallic glass and metallic glass matrix composites are excellent candidates for application in cellular structures because of their outstanding plastic yield strengths and their ability to deform plastically prior to fracture. The mechanical performance of metallic-glass and metallic-glass-matrix-composite honeycomb structures are discussed, and their strength and energy absorption capabilities examined in quasi-static compression tests for both in-plane and out-of-plane loading. These structures exhibit strengths and energy absorption that well exceed the performance of similar structures made from crystalline metals. The strength and energy absorption capabilities of amorphous metal foams produced by a powder metallurgy process are also examined, showing that foams produced by this method can be highly porous and are able to inherit the strength of the parent metallic glass and absorb large amounts of energy. The mechanical properties of a highly stochastic set of foams are examined at low and high strain rates. It is observed that upon a drastic increase in strain rate, the dominant mechanism of yielding for these foams undergoes a change from elastic buckling to plastic yielding. This mechanism change is thought to be the result of the rate of the mechanical test approaching or even eclipsing the speed of elastic waves in the material.

  9. Band gap tuning of amorphous Al oxides by Zr alloying

    Energy Technology Data Exchange (ETDEWEB)

    Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J. [Department of Photonics Engineering, Technical University of Denmark, 4000 Roskilde (Denmark); Jones, N. C.; Hoffmann, S. V. [ISA, Department of Physics and Astronomy, Aarhus University, 8000 Aarhus (Denmark); Borca, C. N.; Piamonteze, C. [Swiss Light Source, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Rechendorff, K.; Nielsen, L. P.; Almtoft, K. P. [Danish Technological Institute, Kongsvang Alle 29, 8000 Aarhus (Denmark); Gudla, V. C.; Bordo, K.; Ambat, R. [Department of Mechanical Engineering, Technical University of Denmark, 2800 Kgs-Lyngby (Denmark)

    2016-08-29

    The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearly as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.

  10. Structure and Properties of Amorphous Transparent Conducting Oxides

    Science.gov (United States)

    Medvedeva, Julia

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

  11. Monte Carlo Simulation of Random-Anisotropy Amorphous Magnets

    Science.gov (United States)

    Bondarev, A. V.; Bataronov, I. L.

    2018-01-01

    Using the Monte Carlo method, within the frame of the Heisenberg model, we studies the magnetic properties of amorphous Tb. The relaxation of magnetization of the model of amorphous Tb was studied. We stablished that the relaxation goes in two stages. On the first stage the magnetization sharply decreases by some amount ΔMz , on the second stage the magnetization decreases with time according to the logarithmic law. The possible mechanisms of relaxation is discussed.

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

    International Nuclear Information System (INIS)

    Wang, Ke-Yao; Foster, Amy C

    2015-01-01

    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)

  13. Electromagnetic stress tensor for an amorphous metamaterial medium

    Science.gov (United States)

    Wang, Neng; Wang, Shubo; Ng, Jack

    2018-03-01

    We analytically and numerically investigated the internal optical forces exerted by an electromagnetic wave inside an amorphous metamaterial medium. We derived, by using the principle of virtual work, the Helmholtz stress tensor, which takes into account the electrostriction effect. Several examples of amorphous media are considered, and different electromagnetic stress tensors, such as the Einstein-Laub tensor and Minkowski tensor, are also compared. It is concluded that the Helmholtz stress tensor is the appropriate tensor for such systems.

  14. Thermal decomposition of silane to form hydrogenated amorphous Si film

    Science.gov (United States)

    Strongin, Myron; Ghosh, Arup K.; Wiesmann, Harold J.; Rock, Edward B.; Lutz, III, Harry A.

    1980-01-01

    This invention relates to hydrogenated amorphous silicon produced by thermally decomposing silano (SiH.sub.4) or other gases comprising H and Si, at elevated temperatures of about 1700.degree.-2300.degree. C., and preferably in a vacuum of about 10.sup.-8 to 10.sup.-4 torr, to form a gaseous mixture of atomic hydrogen and atomic silicon, and depositing said gaseous mixture onto a substrate outside said source of thermal decomposition to form hydrogenated amorphous silicon.

  15. 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.

  16. Thermal decomposition of silane to form hydrogenated amorphous Si

    Science.gov (United States)

    Strongin, M.; Ghosh, A.K.; Wiesmann, H.J.; Rock, E.B.; Lutz, H.A. III

    Hydrogenated amorphous silicon is produced by thermally decomposing silane (SiH/sub 4/) or other gases comprising H and Si, at elevated temperatures of about 1700 to 2300/sup 0/C, in a vacuum of about 10/sup -8/ to 10/sup -4/ torr. A gaseous mixture is formed of atomic hydrogen and atomic silicon. The gaseous mixture is deposited onto a substrate to form hydrogenated amorphous silicon.

  17. Directional amorphization of boron carbide subjected to laser shock compression

    OpenAIRE

    Zhao, Shiteng; Kad, Bimal; Remington, Bruce A.; LaSalvia, Jerry C.; Wehrenberg, Christopher E.; Behler, Kristopher D.; Meyers, Marc A.

    2016-01-01

    When crystalline solids are stressed quasi-statically, dislocation slip, twinning, and phase transformations are the predominant mechanisms to dissipate the imparted elastic energy. Under shock, high hydrostatic and shear stresses promptly build up at the shock front, favoring fast energy dissipation mechanisms. Amorphization, which may only involve localized atomic arrangements, is therefore an additional potential candidate. Shock-induced amorphization has now been reported in various mater...

  18. Hyperfine interactions and some thermomagnetic properties of amorphous FeZr(CrNbBCu alloys

    Directory of Open Access Journals (Sweden)

    Łukiewska Agnieszka

    2017-06-01

    Full Text Available In this research, we studied the magnetic phase transition by Mössbauer spectroscopy and using vibrating sample magnetometer for amorphous Fe86-xZr7CrxNb2Cu1B4 (x = 0 or 6 alloys in the as-quenched state and after accumulative annealing in the temperature range 600-750 K. The Mössbauer investigations were carried out at room and nitrogen temperatures. The Mössbauer spectra of the investigated alloys at room temperature are characteristic of amorphous paramagnets and have a form of asymmetric doublets. However, at nitrogen temperature, the alloys behave like ferromagnetic amorphous materials. The two components are distinguished in the spectrum recorded at both room and nitrogen temperatures. The low field component in the distribution of hyperfine field induction shifts towards higher field with the annealing temperature. It is assumed that during annealing at higher temperature, due to diffusion processes, the grains of α-Fe are created in the area corresponding to this component. Both investigated alloys show the invar effect and the decrease of hyperfine field induction after annealing at 600 K for 10 min is observed. It is accompanied by the lowering of Curie temperature.

  19. Confinement of Amorphous Lactose in Pores Formed Upon Co-Spray Drying With Nanoparticles.

    Science.gov (United States)

    Hellrup, Joel; Mahlin, Denny

    2017-01-01

    This study aims at investigating factors influencing humidity-induced recrystallization of amorphous lactose, produced by co-spray drying with particles of cellulose nanocrystals or sodium montmorillonite. In particular, the focus is on how the nanoparticle shape and surface properties influence the nanometer to micrometer length scale nanofiller arrangement in the nanocomposites and how the arrangements influence the mechanisms involved in the inhibition of the amorphous to crystalline transition. The nanocomposites were produced by co-spray drying. Solid-state transformations were analyzed at 60%-94% relative humidity using X-ray powder diffraction, microcalorimetry, and light microscopy. The recrystallization rate constant for the lactose/cellulose nanocrystals and lactose/sodium montmorillonite nanocomposites was lowered at nanofiller contents higher than 60% and was stable for months at 80% nanofiller. The most likely explanation to these results is spontaneous formations of mesoporous particle networks that the lactose is confined upon co-spray drying at high filler content. Compartmentalization and rigidification of the amorphous lactose proved to be less important mechanisms involved in the stabilization of lactose in the nanocomposites. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

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

    International Nuclear Information System (INIS)

    Rivera M, T.; Olvera T, L.; Azorin N, J.; Barrera R, M.; Soto E, A.M.

    2005-01-01

    In this work the results of studying the thermoluminescent properties (Tl) of the zirconium oxide in its amorphous state (ZrO 2 -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-H 3 and Zr-O 2 . 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 ZrO 2 -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 ZrO 2 -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)

  1. Miniaturized screening of polymers for amorphous drug stabilization (SPADS): rapid assessment of solid dispersion systems.

    Science.gov (United States)

    Wyttenbach, Nicole; Janas, Christine; Siam, Monira; Lauer, Matthias Eckhard; Jacob, Laurence; Scheubel, Emmanuel; Page, Susanne

    2013-08-01

    Development of a novel, rapid, miniaturized approach to identify amorphous solid dispersions with maximum supersaturation and solid state stability. Three different miniaturized assays are combined in a 2-step decision process to assess the supersaturation potential and drug-polymer miscibility and stability of amorphous compositions. Step 1: SPADS dissolution assay. Drug dissolution is determined in 96-well plates to detect systems that generate and maintain supersaturation. Promising combinations graduate to step 2. Step 2: SPADS interaction and SPADS imaging assays. FTIR microspectroscopy is used to study intermolecular interactions. Atomic force microscopy is applied to analyze molecular homogeneity and stability. Based on the screening results, selected drug-polymer combinations were also prepared by spray-drying and characterized by classical dissolution tests and a 6-month physical stability study. From the 7 different polymers and 4 drug loads tested, EUDRAGIT E PO at a drug load of 20% performed best for the model drug CETP(2). The classical dissolution and stability tests confirmed the results from the miniaturized assays. The results demonstrate that the SPADS approach is a useful de-risking tool allowing the rapid, rational, time- and cost-effective identification of polymers and drug loads with appropriate dual function in supersaturation performance and amorphous drug stabilization. Copyright © 2013 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

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

    2015-08-03

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

  3. Electron field emission from amorphous semiconductor thin films

    International Nuclear Information System (INIS)

    Forrest, R.D.

    2001-01-01

    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. 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Critical phenomena and exchange interactions of an amorphous ferromagnet: gadolinium--gold

    International Nuclear Information System (INIS)

    Poon, S.J.; Durand, J.

    1976-07-01

    Magnetization was measured between 4 and 290 0 K in fields up to 70 kOe on liquid-quenched Gd 80 Au 20 amorphous alloys. The Curie temperature and critical exponents β, γ and delta are found to be 149.45 0 K, 0.439, 1.294 and 3.948 respectively. These values are compared with the Heisenberg and molecular field values. The data are fitted to an equation of state previously derived for second order phase transition in fluid systems. The results illustrate clearly a second order phase transition in the amorphous state. A discussion in terms of the Heisenberg model is presented. The effective magnetic moment in the paramagnetic state has a value of 9.37 μ/sub B/ per gadolinium atom. The saturation moment extrapolated to 0 0 K is 7.0 μ/sub B/ per gadolinium atom. The low temperature saturation magnetization observes the T/sup 3 / 2 / law from 0.13 T/sub c/ to 0.80 T/sub c/. The effective exchange integrals J/sub n/ determined from the Rushbrooke--Wood formula and spin-wave theory are found to be 2.28 and 1.34 0 K respectively. The differences in J/sub n/ and that between the effective moment and saturation moment are attributed to the nearest-neighbor antiferromagnetic couplings below T/sub c/. Possible effects of structural disorder on the magnetic properties of Gd in the amorphous state are discussed

  6. Optical properties of amorphous hydrogenated carbon films

    Science.gov (United States)

    Chen, Jing Qiu

    Carbon can be formed either as fully crystalline structures, such as diamond, graphite, and fullerene (C60). or as mostly amorphous structures, like amorphous hydrogenated carbon (a-C:H). A study was made of a-C:H films which had been deposited by plasma enhanced chemical vapor deposition (PECVD) using CH4, H2 and Ar (or N2 for doping) gas mixtures. Each film exhibits unique physical, optical and electronic properties dependent upon the specific deposition parameters. The study is intended to extend our understanding of the properties of a-C:H films. Samples prepared by James Johnson, similar to those used in his previous studies (using mainly 4 separate sets of deposition parameters), were evaluated along with other samples which were unique to this study. Film preparation parameters were varied to allow an examination of the effects induced through the variation of deposition power level, partial substitution of nitrogen for methane in the deposition process gasses and post-deposition thermal annealing. The film optical properties were evaluated using combination of non-destructive test methods, including Raman scattering, photoluminescence (PL), optical absorption and photoluminescence excitation (PLE) spectroscopies. Different PL responses at low temperature (6 K) were recorded for doped and/or annealed samples deriving from the main set of samples. Two new features at 564 and 637 nm of nitrogen doped films replaced the 597 and 703 nm of undoped films. For the first time, three Raman phonon peaks were observed in a nitrogen doped and annealed film. Additional FTIR data indicated that the third Raman phonon peak was associated with CH2 and CH3 bonding structures. The Raman scattering data contributed to an improved understanding of the two-phase (sp2, sp3) model developed by Robertson. Optical absorption measurements could only be obtained for the films deposited on fused quartz. All other measurements were made on films deposited on silicon, which is opaque in

  7. 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

  8. Amorphous Semiconductors Characteristics and Their Modern Application

    International Nuclear Information System (INIS)

    Elshazly, A.A.

    2013-01-01

    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.

  9. 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.

  10. Ga–Ge–Te amorphous thin films fabricated by pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Němec, P. [Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic); Nazabal, V., E-mail: virginie.nazabal@univ-rennes1.fr [Department of Graphic Arts and Photophysics, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 53210 Pardubice (Czech Republic); Equipe Verres et Céramiques, UMR-CNRS 6226, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1, 35042 Rennes Cedex (France); Dussauze, M. [ISM, UMR-CNRS 5255, Université de Bordeaux, 33400 Talence (France); Ma, H.-L.; Bouyrie, Y.; Zhang, X.-H. [Equipe Verres et Céramiques, UMR-CNRS 6226, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes 1, 35042 Rennes Cedex (France)

    2013-03-01

    UV pulsed laser deposition was employed for the fabrication of amorphous Ga–Ge–Te thin films. The local structure of the bulk glasses as well as corresponding thin films was studied using Raman scattering spectroscopy; the main structural motifs were found to be [GeTe{sub 4}], eventually [GaTe{sub 4}] corner-sharing tetrahedra and disordered Te chains. Optical functions of the films (refractive index, extinction coefficient) were characterized by variable angle spectroscopic ellipsometry. Photostability experiments showed all Ga–Ge–Te laser deposited films to be stable against 1550 nm laser irradiation in an as-deposited state. In an annealed state, the most photostable composition seems to be Ga{sub 10}Ge{sub 15}Te{sub 75}. This particular composition was further studied from the point of view of thermal stability and stability against ageing in as-deposited state. - Highlights: ► Pulsed laser deposition was used for fabrication of amorphous Ga–Ge–Te thin films. ► GeTe{sub 4}, eventually GaTe{sub 4} tetrahedra and disordered Te chains form the film structure. ► Optical functions of Ge–Ga–Te films were characterized by spectroscopic ellipsometry. ► All as-deposited Ga–Ge–Te thin films are stable against 1550 nm irradiation. ► In annealed state, the most photostable composition seems to be Ga{sub 10}Ge{sub 15}Te{sub 75}.

  11. Thermal treatment of the Fe78Si9B13 alloy in it amorphous phase studied by means of Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Cabral P, A.; Lopez, A.; Garcia S, F.

    2003-01-01

    The magnetic and microhardness changes, dependents of the temperature that occur in the Fe 78 Si 9 B 13 alloy in it amorphous state were studied by means of the Moessbauer spectroscopy and Vickers microhardness. According to the Moessbauer parameters and in particular that of the hyperfine magnetic field, this it changes according to the changes of the microhardness; i.e. if the microhardness increases, the hyperfine magnetic field increases. The registered increment of hardness in the amorphous state of this alloy should be considered as anomalous, according to the prediction of the Hall-Petch equation, the one that relates negative slopes with grain sizes every time but small. (Author)

  12. 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

  13. First-principle study of the structural, electronic, and magnetic properties of amorphous Fe-B alloys

    Energy Technology Data Exchange (ETDEWEB)

    Tian Hua; Zhang Chong [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China); Zhao Jijun, E-mail: zhaojj@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); College of Advanced Science and Technology, Dalian University of Technology, Dalian 116024 (China); Dong Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); Wen Bin [School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China); State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Wang Qing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024 (China)

    2012-01-15

    The structural, electronic, and magnetic properties of amorphous Fe{sub 100-x}B{sub x} alloys (x=9, 17, 25, 27.3, 33.3, 36.3) are investigated using first-principles calculations. In these amorphous alloys, the short-range order is manifested as a series of Fe- or B-centered polyhedra such as tricapped trigonal prism, icosahedron, and bcc-like structural unit. The electron densities of states of the amorphous alloys resemble those of crystalline Fe borides, which further confirm the similarity of the local order in the amorphous and crystalline phases. All B atoms carry small negative moments of about -0.1{mu}{sub B}, while small negative moments are also found on very few Fe sites for the Fe-rich compositions (x=9, 17). The average magnetic moment per Fe atom decreases nonlinearly with increasing B composition, which can be associated with the nonlinear relationship between mass density and composition.

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

    Science.gov (United States)

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

    2017-12-01

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

  15. Comprehensive modeling of ion-implant amorphization in silicon

    International Nuclear Information System (INIS)

    Mok, K.R.C.; Jaraiz, M.; Martin-Bragado, I.; Rubio, J.E.; Castrillo, P.; Pinacho, R.; Srinivasan, M.P.; Benistant, F.

    2005-01-01

    A physically based model has been developed to simulate the ion-implant induced damage accumulation up to amorphization in silicon. Based on damage structures known as amorphous pockets (AP), which are three-dimensional, irregularly shaped agglomerates of interstitials (I) and vacancies (V) surrounded by crystalline silicon, the model is able to reproduce a wide range of experimental observations of damage accumulation and amorphization with interdependent implantation parameters. Instead of recrystallizing the I's and V's instantaneously, the recrystallization rate of an AP containing nI and mV is a function of its effective size, defined as min(n, m), irrespective of its internal spatial configuration. The parameters used in the model were calibrated using the experimental silicon amorphous-crystalline transition temperature as a function of dose rate for C, Si, and Ge. The model is able to show the superlinear damage build-up with dose, the extent of amorphous layer and the superadditivity effect of polyatomic ions

  16. Infrared Spectra and Optical Constants of Elusive Amorphous Methane

    Science.gov (United States)

    Gerakines, Perry A.; Hudson, Reggie L.

    2015-01-01

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

  17. Amorphous Li2 O2 : Chemical Synthesis and Electrochemical Properties.

    Science.gov (United States)

    Zhang, Yelong; Cui, Qinghua; Zhang, Xinmin; McKee, William C; Xu, Ye; Ling, Shigang; Li, Hong; Zhong, Guiming; Yang, Yong; Peng, Zhangquan

    2016-08-26

    When aprotic Li-O2 batteries discharge, the product phase formed in the cathode often contains two different morphologies, that is, crystalline and amorphous Li2 O2 . The morphology of Li2 O2 impacts strongly on the electrochemical performance of Li-O2 cells in terms of energy efficiency and rate capability. Crystalline Li2 O2 is readily available and its properties have been studied in depth for Li-O2 batteries. However, little is known about the amorphous Li2 O2 because of its rarity in high purity. Herein, amorphous Li2 O2 has been synthesized by a rapid reaction of tetramethylammonium superoxide and LiClO4 in solution, and its amorphous nature has been confirmed by a range of techniques. Compared with its crystalline siblings, amorphous Li2 O2 demonstrates enhanced charge-transport properties and increased electro-oxidation kinetics, manifesting itself a desirable discharge phase for high-performance Li-O2 batteries. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Amorphous computing in the presence of stochastic disturbances.

    Science.gov (United States)

    Chu, Dominique; Barnes, David J; Perkins, Samuel

    2014-11-01

    Amorphous computing is a non-standard computing paradigm that relies on massively parallel execution of computer code by a large number of small, spatially distributed, weakly interacting processing units. Over the last decade or so, amorphous computing has attracted a great deal of interest both as an alternative model of computing and as an inspiration to understand developmental biology. A number of algorithms have been developed that can take advantage of the massive parallelism of this computing paradigm to solve specific problems. One of the interesting properties of amorphous computers is that they are robust with respect to the loss of individual processing units, in the sense that a removal of some of them should not impact on the computation as a whole. However, much less understood is to what extent amorphous computers are robust with respect to minor disturbances to the individual processing units, such as random motion or occasional faulty computation short of total component failure. In this article we address this question. As an example problem we choose an algorithm to calculate a straight line between two points. Using this example, we find that amorphous computers are not in general robust with respect to Brownian motion and noise, but we find strategies that restore reliable computation even in their presence. We will argue that these strategies are generally applicable and not specific to the particular AC we consider, or even specific to electronic computers. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  19. Magnetic entropy changes at early stages of nanocrystallization in amorphous Fe{sub 90}Zr{sub 7}B{sub 3} ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Swierczek, J., E-mail: swiercz@wip.pcz.pl [Institute of Physics, Czestochowa University of Technology, al. Armii Krajowej 19, 42-200 Czestochowa (Poland); Mydlarz, T. [International Laboratory of High Magnetic Fields and Low Temperatures, ul.Gajowicka 95, 53-421 Wroclaw (Poland)

    2011-09-22

    Highlights: > Magnetic entropy changes in partially crystallized Fe{sub 90}Zr{sub 7}B{sub 3} alloy. > Microstructure by transmission electron microscopy and Moessbauer spectrometry. > Superparamagnetic {alpha}-Fe particles in amorphous matrix. > Curie temperature of matrix increases on annealing. > Maximum entropy changes remain almost unchanged. - Abstract: Microstructure, revealed by transmission electron microscopy and conventional Moessbauer spectroscopy, magnetization versus magnetizing field induction and temperature and isothermal magnetic entropy changes in the as-quenched and subjected to annealing at T{sub a1} = 723 K for 2 or 3 h and at T{sub a2} = 743 K for 2.5 h of Fe{sub 90}Zr{sub 7}B{sub 3} amorphous alloy are studied. In the as-quenched state the medium range ordered regions are observed. The annealing at T{sub a1} leads to early stages of crystallization and nanograins with different diameter embedded in amorphous matrix are formed. At the Curie point of the amorphous phase they are magnetically decoupled and behave like superparamagnetic particles. The Curie point of the residual amorphous phase shifts towards higher temperature as compared to the as-quenched state due to the Invar like effect. The peak of the isothermal magnetic entropy changes appears at the Curie temperature of the main amorphous phase. Their values at the maximum applied field of 0.75 T equals to 0.32 J/kg K{sup -1} in the as-quenched alloy and remain almost unchanged after early stages of nanocrystallization. After the annealing at T{sub a2} the peak of the entropy changes distinctly decreases. Such behavior is ascribed to the biphasic character of the sample. The main amorphous phase and ordered one, which in some circumstances can be treated as an assembly of superparamagnetic particles, contribute to the total magnetic entropy changes.

  20. Magnetic properties of crystalline and amorphous phase-change materials doped with 3d impurities.

    Science.gov (United States)

    Zhang, Wei; Ronneberger, Ider; Li, Yan; Mazzarello, Riccardo

    2012-08-22

    First-principles study of the structural and magnetic properties of cubic and amorphous phase-change materials doped with 3d impurities. We find that Co- and Ni-doped Ge(2) Sb(2) Te(5) is non-magnetic, whereas Cr- and Mn-doped Ge(2) Sb(2) Te(5) is magnetic and exhibits a significant magnetic contrast between the two phases in the ferromagnetic configuration. These results are explained in terms of differences in local structure and hybridization of the impurity d-orbitals with the host states. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Formation of amorphous carbon during microcrystalline graphite melting under the action of laser picosecond pulses

    International Nuclear Information System (INIS)

    Agranat, M.B.; Ashitkov, S.I.; Kirillin, A.V.; Kostanovskij, A.V.; Fortov, V.E.; Anisimov, S.I.; Kondratenko, P.S.

    1997-01-01

    Formation of a liquid phase with a transition to a homogeneous amorphous state under the surface layer solidification is detected under picosecond laser pulse effect on the microcrystalline graphite. A periodic surface structure is produced in the heating region with the period of the order of the length of the heating pulse wave, its strokes following the direction of this pulse polarization. Study of the probing laser pulse reflection kinetics has shown, that the typical time of liquid phase and solidification life makes up ∼ 10 -10 s

  2. 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

    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...

  3. Evidence for the concentration induced extinction of gas sensitivity in amorphous and nanostructured Te thin films

    International Nuclear Information System (INIS)

    Tsiulyanu, D.; Mocreac, O.; Enachi, M.; Volodina, G.

    2013-01-01

    The extinction of sensitivity to nitrogen dioxide induced by high gas concentration have been observed in ultrathin tellurium films. The phenomenon becomes apparent in both continuous and nanostructured films shown by AFM, SEM and XRD analyses to be in amorphous state. Sensitivity of 30 nm thickness Te film decreases near linearly with concentration increase between 150 and 500 ppb of nitrogen dioxide. The results are explained in terms of formation of a nitrogen dioxide catalytic gate in which a molecule adsorbs (and desorbs) without reacting. (authors)

  4. 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.

  5. Application of a Salt Coformer in a Co-Amorphous Drug System Dramatically Enhances the Glass Transition Temperature: A Case Study of the Ternary System Carbamazepine, Citric Acid, and l-Arginine.

    Science.gov (United States)

    Ueda, Hiroshi; Wu, Wenqi; Löbmann, Korbinian; Grohganz, Holger; Müllertz, Anette; Rades, Thomas

    2018-04-13

    The use of co-amorphous systems containing a combination of low molecular weight drugs and excipients is a relatively new technology in the pharmaceutical field to improve the solubility of poorly water-soluble drugs. However, some co-amorphous systems show a lower glass transition temperature ( T g ) than many of their polymeric solid dispersion counterparts. In this study, we aimed at designing a stable co-amorphous system with an elevated T g . Carbamazepine (CBM) and citric acid (CA) were employed as the model drug and the coformer, respectively. co-amorphous CBM-CA at a 1:1 molar ratio was formed by ball milling, but a transition from the glassy to the supercooled melt state was observed under ambient conditions, due to the relatively low T g of 38.8 °C of the co-amorphous system and moisture absorption. To improve the T g of the coformer, salt formation of a combination of l-arginine (ARG) with CA was studied. First, ball milling of CA-ARG at molar ratios of 1:1, 1:2, and 1:3 forming co-amorphous systems was performed and led to a dramatic enhancement of the T g , depending on the CA-ARG ratio. Salt formation between CA and ARG was observed by infrared spectroscopy. Next, ball milling of CBM-CA-ARG at molar ratios of 1:1:1, 1:1:2, and 1:1:3 resulted in co-amorphous blends, which had a single T g at 77.8, 105.3, and 127.8 °C, respectively. These ternary co-amorphous samples remained in a solid amorphous form for 2 months at 40 °C. From these results, it can be concluded that blending of the salt coformer with a drug is a promising strategy to design stable co-amorphous formulations.

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

    Science.gov (United States)

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

    1990-05-01

    By means of constant-temperature, constant-pressure molecular dynamics, we investigate the crystal-to-amorphous transformation of the intermetallic alloy NiZr2 resulting from the introduction of antisite defects. We constructed an n-body potential in the framework of the second-moment approximation of the tight-binding description of the electronic density of states. This modeling of the interatomic forces is successful in reproducing both static and thermodynamic properties of the real material. The imposition of chemical disorder quantified by the appropriate value of the long-range-order parameter, S, engenders a volume expansion followed by relaxation to a stationary state characterized by lower density and higher potential energy. The behavior of the pair distribution functions, g(r), reveals that amorphization takes place for values of S<=0.6, the corresponding volume expansion being of the order of 2%. Moreover the thermodynamic states obtained by chemical destabilization and rapid quenching from the liquid state are nearly identical. On the time scale of our simulations (10-10 s), no detectable long-range diffusion of either species follows the introduction of chemical disorder. Some relevant features of the pair distribution functions (first and second peak positions, number of nearest neighbors) are in good agreement with those obtained experimentally from amorphous NiZr2 samples generated by rapid quenching.

  7. Local yield stress statistics in model amorphous solids

    Science.gov (United States)

    Barbot, Armand; Lerbinger, Matthias; Hernandez-Garcia, Anier; García-García, Reinaldo; Falk, Michael L.; Vandembroucq, Damien; Patinet, Sylvain

    2018-03-01

    We develop and extend a method presented by Patinet, Vandembroucq, and Falk [Phys. Rev. Lett. 117, 045501 (2016), 10.1103/PhysRevLett.117.045501] to compute the local yield stresses at the atomic scale in model two-dimensional Lennard-Jones glasses produced via differing quench protocols. This technique allows us to sample the plastic rearrangements in a nonperturbative manner for different loading directions on a well-controlled length scale. Plastic activity upon shearing correlates strongly with the locations of low yield stresses in the quenched states. This correlation is higher in more structurally relaxed systems. The distribution of local yield stresses is also shown to strongly depend on the quench protocol: the more relaxed the glass, the higher the local plastic thresholds. Analysis of the magnitude of local plastic relaxations reveals that stress drops follow exponential distributions, justifying the hypothesis of an average characteristic amplitude often conjectured in mesoscopic or continuum models. The amplitude of the local plastic rearrangements increases on average with the yield stress, regardless of the system preparation. The local yield stress varies with the shear orientation tested and strongly correlates with the plastic rearrangement locations when the system is sheared correspondingly. It is thus argued that plastic rearrangements are the consequence of shear transformation zones encoded in the glass structure that possess weak slip planes along different orientations. Finally, we justify the length scale employed in this work and extract the yield threshold statistics as a function of the size of the probing zones. This method makes it possible to derive physically grounded models of plasticity for amorphous materials by directly revealing the relevant details of the shear transformation zones that mediate this process.

  8. The electronic and optical properties of amorphous silica with hydrogen defects by ab initio calculations

    Science.gov (United States)

    Ren, Dahua; Xiang, Baoyan; Hu, Cheng; Qian, Kai; Cheng, Xinlu

    2018-04-01

    Hydrogen can be trapped in the bulk materials in four forms: interstitial molecular H2, interstitial atom H, O‑H+(2Si=O–H)+, Si‑H‑( {{4O}}\\bar \\equiv {{Si&x2212H}})‑ to affect the electronic and optical properties of amorphous silica. Therefore, the electronic and optical properties of defect-free and hydrogen defects in amorphous silica were performed within the scheme of density functional theory. Initially, the negative charged states hydrogen defects introduced new defect level between the valence band top and conduction band bottom. However, the neutral and positive charged state hydrogen defects made both the valence band and conduction band transfer to the lower energy. Subsequently, the optical properties such as absorption spectra, conductivity and loss functions were analyzed. It is indicated that the negative hydrogen defects caused the absorption peak ranging from 0 to 2.0 eV while the positive states produced absorption peaks at lower energy and two strong absorption peaks arose at 6.9 and 9.0 eV. However, the neutral hydrogen defects just improved the intensity of absorption spectrum. This may give insights into understanding the mechanism of laser-induced damage for optical materials. Project supported by the Science and Technology of Hubei Provincial Department of Education (No. B2017098).

  9. 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.

  10. 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.

  11. Visible light response, electrical transport, and amorphization in compressed organolead iodine perovskites

    Science.gov (United States)

    Ou, Tianji; Yan, Jiejuan; Xiao, Chuanhai; Shen, Wenshu; Liu, Cailong; Liu, Xizhe; Han, Yonghao; Ma, Yanzhang; Gao, Chunxiao

    2016-06-01

    Recent scientific advances on organic-inorganic hybrid perovskites are mainly focused on the improvement of power conversion efficiency. So far, how compression tunes their electronic and structural properties remains less understood. By combining in situ photocurrent, impedance spectroscopy, and X-ray diffraction (XRD) measurements, we have studied the electrical transport and structural properties of compressed CH3NH3PbI3 (MAPbI3) nanorods. The visible light response of MAPbI3 remains robust below 3 GPa while it is suppressed when it becomes amorphous. Pressure-induced electrical transport properties of MAPbI3 including resistance, relaxation frequency, and relative permittivity have been investigated under pressure up to 8.5 GPa by in situ impedance spectroscopy measurements. These results indicate that the discontinuous changes of these physical parameters occur around the structural phase transition pressure. The XRD studies of MAPbI3 under high pressure up to 20.9 GPa show that a phase transformation below 0.7 GPa, could be attributed to the tilting and distortion of PbI6 octahedra. And pressure-induced amorphization is reversible at a low density amorphous state but irreversible at a relatively higher density state. Furthermore, the MAPbI3 nanorods crush into nanopieces around 0.9 GPa which helps us to explain why the mixed phase of tetragonal and orthorhombic was observed at 0.5 GPa. The pressure modulated changes of electrical transport and visible light response properties open up a new approach for exploring CH3NH3PbI3-based photo-electronic applications.Recent scientific advances on organic-inorganic hybrid perovskites are mainly focused on the improvement of power conversion efficiency. So far, how compression tunes their electronic and structural properties remains less understood. By combining in situ photocurrent, impedance spectroscopy, and X-ray diffraction (XRD) measurements, we have studied the electrical transport and structural properties of

  12. Molecular modeling of amorphous, non-woven polymer networks.

    Science.gov (United States)

    Krausse, Constantin A; Milek, Theodor; Zahn, Dirk

    2015-10-01

    We outline a simple and efficient approach to generating molecular models of amorphous polymer networks. Similar to established techniques of preparing woven polymer networks from quenching high-temperature molecular simulation runs, we use a molecular dynamics simulations of a generic melt as starting points. This generic melt is however only used to describe parts of the polymers, namely the cross-linker units which positions are adopted from particle positions of the quenched melt. Specific degrees of network connectivity are tuned by geometric criteria for linker-linker connections and by suitable multi-body interaction potentials applied to the generic melt simulations. Using this technique we demonstrate adjusting fourfold linker coordination in amorphous polymer networks comprising 10-20% under-coordinated linkers. Graphical Abstract Molecular modeling of amorphous, non-woven polymer networks.

  13. Radiation damage in amorphous solids - a computer simulation

    International Nuclear Information System (INIS)

    Chaki, T.K.; Li, J.C.M.

    1984-01-01

    It is known for crystalline materials that injection of high energy atoms introduces point defects. The nature of defects is not known for amorphous solids. So a molecular dynamic simulation of radiation damage in an amorphous metal was carried out. An amorphous structure of 685 atoms with periodic boundary conditions in all 3 dimensions was equilibrated first. Then one atom on the surface was given a high initial velocity so it was injected inward. Radial temperature distribution around the line of injection was calculated as a function of time. Void distribution and its evolution with time in the direction of injection was calculated by counting the atomic centers in thin slabs perpendicular to the line of injection. The swelling of the whole solid was calculated also. Some results are compared with experiments

  14. 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.

  15. Surface segregations in amorphous magnetically soft alloy under oxidation

    International Nuclear Information System (INIS)

    Bayankin, V.A.; Vasil'ev, V.Yu.; Volkova, I.B.; Skvortsova, N.G.; Smirnova, O.I.

    1997-01-01

    Using the Auger electron spectroscopy and electron reflecting diffraction the effects of high temperature annealing and electro-chemical treatment on chemical composition and atomic structure of amorphous magnetically soft alloy Co 57 Fe 5 Ni 10 Si 11 B 7 were investigated. It is shown the surface layers on the base of silicon carbide are formed during annealing while during electro-chemical treatment a cobalt borides are formed. Besides, during electro-chemical treatment the amorphous structure with different interatomic space are saved depending on time. At the time, mechanical properties of the alloy are not worse and it may be used for manufacturing of magnetodrives from amorphous magnetically soft materials [ru

  16. [Amorphous silica. Types, health effects of exposure, NDS].

    Science.gov (United States)

    Woźniak, H; Wiecek, E

    1995-01-01

    Maximum allowable concentration (MAC) values for amorphous silica dust have not been identified in the Polish legal regulations up-to-date. In this work the authors review values of allowable (recommended) amorphous silica dust concentrations in other countries. Data on other types of amorphous silica (natural and synthetic) used in industry as well as data on health effects of exposure to these types of dust are presented. The work encompasses 42 entries in the references and one Table which includes the following proposed MAC values: Non-calcinate diatomaceous earth (diatomite) and synthetic silica: Total dust--10 mg/m3 Respirable dust--2 mg/m3 Calcinate diatomaceous earth (diatomite) and fused silica (vitreous silica): Total dust--2 mg/m3 Respirable dust--1 mg/m3.

  17. Amorphous Alloy Membranes for High Temperature Hydrogen Separation

    Energy Technology Data Exchange (ETDEWEB)

    Coulter, K. [Southwest Research Inst. (SwRI), San Antonio, TX (United States)

    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. Amorphous surface layers in Ti-implanted Fe

    Energy Technology Data Exchange (ETDEWEB)

    Knapp, J.A.; Follstaedt, D.M.; Picraux, S.T.

    1979-01-01

    Implanting Ti into high-purity Fe results in an amorphous surface layer which is composed of not only Fe and Ti, but also C. Implantations were carried out at room temperature over the energy range 90 to 190 keV and fluence range 1 to 2 x 10/sup 16/ at/cm/sup 2/. The Ti-implanted Fe system has been characterized using transmission electron microscopy (TEM), ion backscattering and channeling analysis, and (d,p) nuclear reaction analysis. The amorphous layer was observed to form at the surface and grow inward with increasing Ti fluence. For an implant of 1 x 10/sup 17/ Ti/cm/sup 2/ at 180 keV the layer thickness was 150 A, while the measured range of the implanted Ti was approx. 550 A. This difference is due to the incorporation of C into the amorphous alloy by C being deposited on the surface during implantation and subsequently diffusing into the solid. Our results indicate that C is an essential constituent of the amorphous phase for Ti concentrations less than or equal to 10 at. %. For the 1 x 10/sup 17/ Ti/cm/sup 2/ implant, the concentration of C in the amorphous phase was approx. 25 at. %, while that of Ti was only approx. 3 at. %. A higher fluence implant of 2 x 10/sup 17/ Ti/cm/sup 2/ produced an amorphous layer with a lower C concentration of approx. 10 at. % and a Ti concentration of approx. 20 at. %.

  19. Shock-induced localized amorphization in boron carbide.

    Science.gov (United States)

    Chen, Mingwei; McCauley, James W; Hemker, Kevin J

    2003-03-07

    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.

  20. 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.

  1. Hydrogenated amorphous carbon next deposit after heat treatment

    International Nuclear Information System (INIS)

    Salancon, E.; Durbeck, T.; Schwarz-Selinger, T.; Jacob, W.

    2006-01-01

    One of the main safety problems in the ITER tokamak project is the tritium adsorption in the reactor walls and in particular the deposits which appear after the plasma discharge. These deposits are amorphous hydrogenated carbon films, type polymer (soft a-C:H). The heating of these deposits with a pulse laser is a proposed solution for the tritium desorption. Meanwhile, Gibson and al show that in experimental conditions, products are deposed on the walls before entering the mass spectrometer. The authors present thermo-desorption spectra of different amorphous carbon films. (A.L.B.)

  2. Transmissive metallic contact for amorphous silicon solar cells

    Science.gov (United States)

    Madan, A.

    1984-11-29

    A transmissive metallic contact for amorphous silicon semiconductors includes a thin layer of metal, such as aluminum or other low work function metal, coated on the amorphous silicon with an antireflective layer coated on the metal. A transparent substrate, such as glass, is positioned on the light reflective layer. The metallic layer is preferably thin enough to transmit at least 50% of light incident thereon, yet thick enough to conduct electricity. The antireflection layer is preferably a transparent material that has a refractive index in the range of 1.8 to 2.2 and is approximately 550A to 600A thick.

  3. 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...

  4. 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.

  5. Elastic properties of amorphous thin films studied by Rayleigh waves

    International Nuclear Information System (INIS)

    Schwarz, R.B.; Rubin, J.B.

    1993-01-01

    Physical vapor deposition in ultra-high vacuum was used to co-deposit nickel and zirconium onto quartz single crystals and grow amorphous Ni 1-x Zr x (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. NMR STUDIES OF Co-BASED NITRIDE AMORPHOUS FILMS

    OpenAIRE

    Le Dang, K.; Veillet, P.; Sakakima, H.; Krishnan, R.

    1988-01-01

    We have carried out at 4 K spin-echo measurements in both single and multilayer (nitride and nonnitride layers) amorphous films of (Co83Nb11Ta2Zr4)1-x N100x. The average Co hyperfine field and the local in-plane anisotropy (K) increase with N (x) content in agreement with magnetization measurements. Annealing leads to a slight increase in K for single layer but a strong decrease for multilayer which remains amorphous contrary to the non-nitride films.

  7. Enhancing the optoelectronic properties of amorphous zinc tin oxide by subgap defect passivation: A theoretical and experimental demonstration

    Czech Academy of Sciences Publication Activity Database

    Rucavado, E.; Jeangros, Q.; Urban, D. F.; Holovský, Jakub; Remeš, Zdeněk; Duchamp, M.; Landucci, F.; Dunin-Borkowski, R.E.; Körner, W.; Elsässer, C.; Hessler-Wyser, A.; Morales-Masis, M.; Ballif, C.

    2017-01-01

    Roč. 95, č. 24 (2017), s. 1-9, č. článku 245204. ISSN 2469-9950 R&D Projects: GA ČR GC16-10429J Institutional support: RVO:68378271 Keywords : TCO * ZnO * ZnSnO * amorphous TCO * photothermal deflection spectroscopy * DFT Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  8. Complex nano-patterning of structural, optical, electrical and electron emission properties of amorphous silicon thin films by scanning probe

    Czech Academy of Sciences Publication Activity Database

    Fait, Jan; Čermák, Jan; Stuchlík, Jiří; Rezek, Bohuslav

    2018-01-01

    Roč. 428, Jan (2018), s. 1159-1165 ISSN 0169-4332 R&D Projects: GA ČR GA15-01809S Institutional support: RVO:68378271 Keywords : amorphous silicon * nano-templates * nanostructures * electrical conductivity * electron emission * atomic force microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.387, year: 2016

  9. Neutron scattering study on amorphous magnetics

    International Nuclear Information System (INIS)

    Toperverg, B.P.

    1982-01-01

    The study on the ferromagnetic metallic glasses by means of neutron ssattering method is reviewed. Disordered ferromagnetics are considered with allowance for exchange interactione anisotropic interaction being neglected. Phase transformations in the systemS are discussed as well as the existence of the spin glass state from the data of various neutron experiments. The validity of the Sherrington-Kirkpatric state diagram is analyzed

  10. Importance of in vitro dissolution conditions for the in vivo predictability of an amorphous solid dispersion containing a pH-sensitive carrier.

    Science.gov (United States)

    Wendelboe, Johan; Knopp, Matthias Manne; Khan, Fauzan; Chourak, Nabil; Rades, Thomas; Holm, René

    2017-10-05

    The present study investigated the influence of in vitro dissolution conditions on the in vivo predictability of an amorphous solid dispersion of celecoxib (CCX) in the pH-sensitive polymer Eudragit ® S 100. Different doses of a 25:75w/w% CCX:Eudragit ® S 100 amorphous solid dispersion (CCX:EUD) were investigated. During in vitro dissolution a significant effect of the pH of the dissolution media on the release of CCX was observed. In fasted state simulated intestinal fluid (FaSSIF) pH 6.5, the release of CCX from the amorphous solid dispersion was comparable to that of crystalline CCX and lower than that of amorphous CCX whereas in FaSSIF pH 7.4, the release was significantly increased compared to both crystalline and amorphous CCX. With a 3-fold increase in the exposure of CCX:EUD compared to crystaline CCX. The in vivo data also suggested that Eudragit ® S 100 was suitable as a carrier in amorphous solid dispersions of CCX. In vitro-in vivo correlation demonstrated that the in vitro data obtained in FaSSIF pH 7.4 was more predictive for the in vivo performance than that obtained in FaSSIF pH 6.5. Consequently, the findings of this study underline that when predicting the in vivo performance of amorphous solid dispersions with pH-sensitive polymers, it is imperative that the in vitro dissolution conditions are carefully considered. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. 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...

  12. Improved p–n heterojunction device performance induced by irradiation in amorphous boron carbide films

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, George [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, NE 68583-0857 (United States); Su, Qing [Nebraska Center for Energy Sciences Research, University of Nebraska-Lincoln, Lincoln, NE 68583-0857 (United States); Wang, Yongqiang [Materials Science and Technology Division, Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545 (United States); Dowben, Peter A. [Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE 68588-0298 (United States); Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588-0299 (United States); Nastasi, Michael, E-mail: mnastasi2@unl.edu [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, NE 68583-0857 (United States); Nebraska Center for Energy Sciences Research, University of Nebraska-Lincoln, Lincoln, NE 68583-0857 (United States); Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, Lincoln, NE 68588-0298 (United States)

    2015-12-15

    Highlights: • Amorphous boron carbide films were grown on n-type silicon creating a heterojunction. • We irradiated the devices with 200 keV alpha particles to varying levels of damage. • We measured the current versus voltage at each level of damage for the device. • The electrical properties improved with moderate amounts of irradiation. • Device failure is due to the fragility of the Si, not the boron carbide film. - Abstract: Amorphous hydrogenated boron carbide films (a-B{sub 10}C{sub 2+x}:H{sub y}) on Si p–n heterojunctions were fabricated utilizing plasma enhanced chemical vapor deposition (PECVD). These devices were found to be robust when irradiated with 200 keV He{sup +} ions. For low doses of irradiation, contrary to most other electrical devices, the electrical performance improved. On the heterojunction I(V) curve, reverse bias leakage current decreased by 3 orders of magnitude, series resistance across the device decreased by 64%, and saturation current due to generation of electron–hole pairs in the depletion region also decreased by an order of magnitude. It is believed that the improvements in the electrical properties of the devices are due to an initial passivation of defects in the a-B{sub 10}C{sub 2+x}:H{sub y} film resulting from electronic energy deposition, breaking bonds and allowing them to reform in a lower energy state, or resolving distorted icosahedron anion states.

  13. Crystallization Process of Heat-treated Amorphous Ni-P Alloy Coating

    Directory of Open Access Journals (Sweden)

    JIN Shi-wei

    2016-09-01

    Full Text Available Amorphous Ni-P alloy coatings were prepared on 45 carbon steel blocks using electrodeposition method. The thermal effect and quality change of Ni-P alloy coating under heating rate of 20℃/min were analyzed by differential scanning calorimetry (DSC and thermogravimetry (TG. Coatings were heat-treated at 300℃ and 400℃ for 0, 15, 30, 45, 60, 75min respectively, coating surface was characterized by scanning electron microscope (SEM, energy dispersive spectrometer (EDS, X-ray diffraction (XRD, microhardness tester. The result shows that the exothermic peak of Ni-P alloy coating appears at 284.8℃, coating quality and elemental composition are stable during the heat treatment. Crystallization process experiences a transformation of amorphous, metastable state NiP and Ni5P2, stable state Ni3P. The microhardness of coating can be improved remarkably after heat treatment, namely, the maximum value of heat-treated coating is 1036.56HV, which is nearly 2 times as hard as as-deposited coating. The corrosion resistance of heat-treated Ni-P alloy coating in NaCl solution is inferior to as-deposited coating, but they are both much better than 45 carbon steel substrate.

  14. Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides.

    Science.gov (United States)

    Triana, C A; Araujo, C Moyses; Ahuja, R; Niklasson, G A; Edvinsson, T

    2017-05-17

    Solid state materials with crystalline order have been well-known and characterized for almost a century while the description of disordered materials still bears significant challenges. Among these are the atomic short-range order and electronic properties of amorphous transition metal oxides [aTMOs], that have emerged as novel multifunctional materials due to their optical switching properties and high-capacity to intercalate alkali metal ions at low voltages. For decades, research on aTMOs has dealt with technological optimization. However, it remains challenging to unveil their intricate atomic short-range order. Currently, no systematic and broadly applicable methods exist to assess atomic-size structure, and since electronic localization is structure-dependent, still there are not well-established optical and electronic mechanisms for modelling the properties of aTMOs. We present state-of-the-art systematic procedures involving theory and experiment in a self-consistent computational framework to unveil the atomic short-range order and its role for the electronic properties. The scheme is applied to amorphous tungsten trioxide aWO 3 , which is the most studied electrochromic aTMO in spite of its unidentified atomic-size structure. Our approach provides a one-to-one matching of experimental data and corresponding model structure from which electronic properties can be directly calculated in agreement with the electronic transitions observed in the XANES spectra.

  15. 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 subjec......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 subjected to quench cooling thereby creating an amorphous form of the drug from both starting materials. The milled and quench cooled samples were, together with the crystalline starting materials, analyzed with X-ray powder diffraction (XRPD), Raman spectroscopy and atomic pair-wise distribution function...... (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....

  16. Template-assisted mineral formation via an amorphous liquid phase precursor route

    Science.gov (United States)

    Amos, Fairland F.

    The search for alternative routes to synthesize inorganic materials has led to the biomimetic route of producing ceramics. In this method, materials are manufactured at ambient temperatures and in aqueous solutions with soluble additives and insoluble matrix, similar to the biological strategy for the formation of minerals by living organisms. Using this approach, an anionic polypeptide additive was used to induce an amorphous liquid-phase precursor to either calcium carbonate or calcium phosphate. This precursor was then templated on either organic or inorganic substrates. Non-equilibrium morphologies, such as two-dimensional calcium carbonate films, one-dimensional calcium carbonate mesostructures and "molten" calcium phosphate spherulites were produced, which are not typical of the traditional (additive-free) solution grown crystals in the laboratory. In the study of calcium carbonate, the amorphous calcium carbonate mineral formed via the liquid-phase precursor, either underwent a dissolution-recrystallization event or a pseudo-solid-state transformation to produce different morphologies and polymorphs of the mineral. Discrete or aggregate calcite crystals were formed via the dissolution of the amorphous phase to allow the reprecipitation of the stable crystal. Non-equilibrium morphologies, e.g., films, mesotubules and mesowires were templated using organic and inorganic substrates and compartments. These structures were generated via an amorphous solid to crystalline solid transformation. Single crystalline tablets and mesowires of aragonite, which are reported to be found only in nature as skeletal structures of marine organisms, such as mollusk nacre and echinoderm teeth, were successfully synthesized. These biomimetic structures were grown via the polymer-induced liquid-phase precursor route in the presence of magnesium. Only low magnesium-bearing calcite was formed in the absence of the polymer. A similar approach of using a polymeric additive was

  17. Ferrofluids based on Co-Fe-Si-B amorphous nanoparticles

    Science.gov (United States)

    Wang, Tianqi; Bian, Xiufang; Yang, Chuncheng; Zhao, Shuchun; Yu, Mengchun

    2017-03-01

    Magnetic Co-Fe-Si-B amorphous nanoparticles were successfully synthesized by chemical reduction method. ICP, XRD, DSC, and TEM were used to investigate the composition, structure and morphology of Co-Fe-Si-B samples. The results show that the Co-Fe-Si-B samples are amorphous, which consist of nearly spherical nanoparticles with an average particle size about 23 nm. VSM results manifest that the saturation magnetization (Ms) of Co-Fe-Si-B samples ranges from 46.37 to 62.89 emu/g. Two kinds of ferrofluids (FFs) were prepared by dispersing Co-Fe-Si-B amorphous nanoparticles and CoFe2O4 nanoparticles in kerosene and silicone oil, respectively. The magnetic properties, stability and viscosity of the FFs were investigated. The FFs with Co-Fe-Si-B samples have a higher Ms and lower coercivity (Hc) than FFs with CoFe2O4 sample. Under magnetic field, the silicone oil-based FFs exhibit high stability. The viscosity of FFs under different applied magnetic fields was measured by a rotational viscometer, indicating that FFs with Co-Fe-Si-B particles present relative strong response to an external magnetic field. The metal-boride amorphous alloy nanoparticles have potential applications in the preparation of magnetic fluids with good stability and good magnetoviscous properties.

  18. Terahertz-induced Kerr effect in amorphous chalcogenide glasses

    DEFF Research Database (Denmark)

    Zalkovskij, Maksim; Strikwerda, Andrew; Iwaszczuk, Krzysztof

    2013-01-01

    We have investigated the terahertz-induced third-order (Kerr) nonlinear optical properties of the amorphous chalcogenide glasses As2S3 and As2Se3. Chalcogenide glasses are known for their high optical Kerr nonlinearities which can be several hundred times greater than those of fused silica. We us...

  19. Designed synthesis of tunable amorphous carbon nanotubes (a ...

    Indian Academy of Sciences (India)

    Administrator

    Amorphous carbon nanotubes; chemical synthesis; structures; oxidation resistance properties. 1. Introduction. Since the discovery of carbon ... novel route for the synthesis of a-CNTs using V3O7∙H2O and glucose solution as the starting .... symmetric band, although its asymmetric band at about. 3080 cm–1 is not observed, ...

  20. Bio-based, amorphous polyamides with tunable thermal properties

    NARCIS (Netherlands)

    Velthoven, Van Juliën L.J.; Gootjes, Linda; Noordover, Bart A.J.; Meuldijk, Jan

    2015-01-01

    The aim of this work is to synthesize amorphous polyamides from renewable monomers derived from vegetable oils and sugars. By making use of the odd-even effect to hamper intermolecular hydrogen bonding, combined with either the incorporation of dimerized fatty acid monomers or isoidide diamine

  1. Magnetoimpedance of cobalt-based amorphous ribbons/polymer composites

    Energy Technology Data Exchange (ETDEWEB)

    Semirov, A.V., E-mail: semirov@mail.ru [Irkutsk State University, Irkutsk (Russian Federation); Derevyanko, M.S.; Bukreev, D.A.; Moiseev, A.A.; Kudryavtsev, V.O. [Irkutsk State University, Irkutsk (Russian Federation); Safronov, A.P. [Ural Federal University, Yekaterinburg (Russian Federation)

    2016-10-01

    The combined influence of the temperature, the elastic tensile stress and the external magnetic field on the total impedance and impedance components were studied for rapidly quenched amorphous Co{sub 75}Fe{sub 5}Si{sub 4}B{sub 16} ribbons. Both as-cast amorphous ribbons and Co{sub 75}Fe{sub 5}Si{sub 4}B{sub 16}/polymer amorphous ribbon based composites were considered. Following polymer coverings were studied: modified rubber solution in o-xylene, solution of butyl methacrylate and methacrylic acid copolymer in isopropanol and solution of polymethylphenylsiloxane resin in toluene. All selected composites showed very good adhesion of the coverings and allowed to provide temperature measurements from 163 K up to 383 K under the applied deforming tensile force up to 30 N. The dependence of the modulus of the impedance and its components on the external magnetic field was influenced by the elastic tensile stresses and was affected by the temperature of the samples. It was shown that maximal sensitivity of the impedance and its components to the external magnetic field was observed at minimal temperature and maximal deforming force depended on the frequency of an alternating current. - Highlights: • Impedance and its components of amorphous Co{sub 75}Fe{sub 5}Si{sub 4}B{sub 16} ribbons were studied. • MI sensitivity to the magnetic field depends on a temperature and a deforming force. • Polymer covering can affect the functional properties of the composite.

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

    NARCIS (Netherlands)

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

    2012-01-01

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

  3. Thermal transitions of the amorphous polymers in wheat straw

    Science.gov (United States)

    Wolfgang Stelte; Craig Clemons; Jens K. Holm; Jesper Ahrenfeldt; Ulrik B. Henriksen; Anand R. Sanadi

    2011-01-01

    The thermal transitions of the amorphous polymers in wheat straw were investigated using dynamic mechanical thermal analysis (DMTA). The study included both natural and solvent extracted wheat straw, in moist (8–9% water content) and dry conditions, and was compared to spruce samples. Under these conditions two transitions arising from the glass transition of lignin...

  4. Band gap tuning of amorphous Al oxides by Zr alloying

    DEFF Research Database (Denmark)

    Canulescu, Stela; Jones, N. C.; Borca, C. N.

    2016-01-01

    The optical band gap and electronic structure of amorphous Al-Zr mixed oxides, with Zr content ranging from4.8 to 21.9% were determined using vacuum ultraviolet (VUV) and X-ray absorption spectroscopy (XAS). Thelight scattering by the nano-porous structure of alumina at low wavelengths was estima...

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

    African Journals Online (AJOL)

    The results showed that amorphous Ni–P-based composite coatings produced partial crystallization and precipitation of the Ni3P phase after wear. The degree of crystallization increased with the increase in load. Abrasive debris were collected for scanning electron microscope observation, which would help understand ...

  6. Amorphous Metals and Composites as Mirrors and Mirror Assemblies

    Science.gov (United States)

    Hofmann, Douglas C. (Inventor); Davis, Gregory L. (Inventor); Agnes, Gregory S. (Inventor); Shapiro, Andrew A. (Inventor)

    2016-01-01

    A mirror or mirror assembly fabricated by molding, pressing, assembling, or depositing one or more bulk metal glass (BMG), bulk metal glass composite (BMGMC), or amorphous metal (AM) parts and where the optical surface and backing of the mirror can be fabricated without machining or polishing by utilizing the unique molding capabilities of this class of materials.

  7. Kinetics of crystallization of a Fe-based multicomponent amorphous ...

    Indian Academy of Sciences (India)

    Administrator

    these amorphous alloys, which consequently led to better magnetic performance (Yoshizawa 1988). The kinetics of crystallization plays an important role in physics, chemistry, ceramic and metallurgical sciences. Thermal analysis methods, including DSC, are exten- sively used for studying kinetics of chemical reactions.

  8. Amorphous Pt@PdCu/CNT Catalyst for Methanol Electrooxidation ...

    African Journals Online (AJOL)

    A multi-walled carbon nanotube-supported, Pt decorated nano-sized amorphous PdCu alloy cores (denoted as Pt@PdCu/CNT) catalyst with lower Pt loading is synthesized via a galvanic displacement reaction. The structure is examined using X-ray diffraction (XRD) and transmission electron microscopy (TEM).

  9. Local atomic environment in amorphous Ge15Te85

    Science.gov (United States)

    Jóvári, P.; Kaban, I.; Hoyer, W.; Delaplane, R. G.; Wannberg, A.

    2005-03-01

    The structure of amorphous Ge15Te85 has been studied by neutron and x-ray diffraction. Experimental data have been modelled simultaneously with the reverse Monte Carlo simulation method. The contrast between structure factors together with the application of some plausible physical constraints allowed the separation of the three partial pair correlation functions and determination of Ge and Te local environment.

  10. Bolometric detection of ferromagnetic resonance in amorphous microwires

    Czech Academy of Sciences Publication Activity Database

    Kraus, Luděk

    2015-01-01

    Roč. 51, č. 1 (2015), s. 6100104 ISSN 0018-9464 R&D Projects: GA ČR GAP102/12/2177 Institutional support: RVO:68378271 Keywords : amorphous microwires * anisotropic magnetoresistance (AMR) * bolometric effect * ferromagnetic resonance (FMR) Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.277, year: 2015

  11. Optimum driving of magnetostrictive amorphous wire micro-motor

    International Nuclear Information System (INIS)

    Takezawa, Masaaki; Ishizaki, Yuichi; Honda, Takashi; Yamasaki, Jiro

    2004-01-01

    Characteristics of a magnetostrictive vibration micro-motor were investigated in relation to a supporting position of a magnetostrictive amorphous wire for optimization of the motor. It was found that a vibration of the wire resembled a vibration mode of both ends free and a maximum rotational speed was obtained by supporting the nodes of vibration

  12. Statistical properties of Barkhausen noise in amorphous ferromagnetic films.

    Science.gov (United States)

    Bohn, F; Corrêa, M A; Carara, M; Papanikolaou, S; Durin, G; Sommer, R L

    2014-09-01

    We investigate the statistical properties of the Barkhausen noise in amorphous ferromagnetic films with thicknesses in the range between 100 and 1000 nm. From Barkhausen noise time series measured with the traditional inductive technique, we perform a wide statistical analysis and establish the scaling exponents τ,α,1/σνz, and ϑ. We also focus on the average shape of the avalanches, which gives further indications on the domain-wall dynamics. Based on experimental results, we group the amorphous films in a single universality class, characterized by scaling exponents τ=1.28±0.02,α=1.52±0.3, and 1/σνz=ϑ=1.83±0.03, values compatible with that obtained for several bulk amorphous magnetic materials. Besides, we verify that the avalanche shape depends on the universality class. By considering the theoretical models for the dynamics of a ferromagnetic domain wall driven by an external magnetic field through a disordered medium found in literature, we interpret the results and identify an experimental evidence that these amorphous films, within this thickness range, present a typical three-dimensional magnetic behavior with predominant short-range elastic interactions governing the domain-wall dynamics. Moreover, we provide experimental support for the validity of a general scaling form for the average avalanche shape for non-mean-field systems.

  13. Production of amorphous starch powders by solution spray drying

    NARCIS (Netherlands)

    Niazi, Muhammad B. K.; Broekhuis, Antonius A.

    2012-01-01

    The spray drying of starch/maltodextrin formulations was evaluated as a potential technology for the manufacturing of amorphous thermoplastic starches. Mixtures of starches with high to low amylose (Am)amylopectin (Ap) ratios were spray-dried from water-based solutions and granular dispersions. The

  14. Amorphous Pt@PdCu/CNT Catalyst for Methanol Electrooxidation

    African Journals Online (AJOL)

    NICO

    A multi-walled carbon nanotube-supported, Pt decorated nano-sized amorphous PdCu alloy cores (denoted as Pt@PdCu/CNT) catalyst with lower Pt loading is synthesized via a galvanic displacement reaction. The structure is examined using X-ray diffrac- tion (XRD) and transmission electron microscopy (TEM).

  15. Strain sensor system based on amorphous ferromagnetic ribbons

    Czech Academy of Sciences Publication Activity Database

    Jančárik, V.; Švec, P.; Kraus, Luděk

    2002-01-01

    Roč. 53, 10/S (2002), s. 92-94 ISSN 1335-3632. [Magnetic Measurements'02. Bratislava, 11.09.2002-13.09.2002] Grant - others:NATO(XX) SfP 973649 Institutional research plan: CEZ:AV0Z1010914 Keywords : strain sensor * magnetoelastic effect * amorphous ferromagnetic Subject RIV: BM - Solid Matter Physics ; Magnetism

  16. Structural relaxation of Ni-Si-B amorphous ribbon

    NARCIS (Netherlands)

    Jurikova, A.; Csach, K.; Miskuf, J.; Ocelik, V.

    The structural relaxation of the Ni-Si-B amorphous ribbon was studied by means of differential scanning calorimetry and thermomechanical analysis. It was shown that considerable length changes associated with reversible structural relaxation were revealed after a previous creep applied at higher

  17. Co nanocrystals in amorphous multilayers–a structure study

    Czech Academy of Sciences Publication Activity Database

    Bernstorff, S.; Holý, V.; Endres, J.; Valeš, V.; Sobota, Jaroslav; Siketić, Z.; Bogdanović-Radović, I.; Buljan, M.; Dražić, G.

    2013-01-01

    Roč. 46, č. 6 (2013), s. 1711-1721 ISSN 0021-8898 R&D Projects: GA MŠk ED0017/01/01 Institutional support: RVO:68081731 Keywords : Co nanocrystals * amorphous multilayers * structure study Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 3.950, year: 2013

  18. Structural origin of resistance drift in amorphous GeTe

    Science.gov (United States)

    Zipoli, Federico; Krebs, Daniel; Curioni, Alessandro

    2016-03-01

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

  19. Detection of charged particles in amorphous silicon layers

    International Nuclear Information System (INIS)

    Perez-Mendez, V.; Morel, J.; Kaplan, S.N.; Street, R.A.

    1986-02-01

    The successful development of radiation detectors made from amorphous silicon could offer the possibility for relatively easy construction of large area position-sensitive detectors. We have conducted a series of measurements with prototype detectors, on signals derived from alpha particles. The measurement results are compared with simple model calculations, and projections are made of potential applications in high-energy and nuclear physics

  20. Kerr-effect enhancement in amorphous GdFe films

    International Nuclear Information System (INIS)

    Urner-Wille, M.; Velde, T.S. te; Engen, P.G. van

    1978-01-01

    Experimental investigations of amorphous ferrimagnetic GdFe films with CeO 2 coatings of various thicknesses have been performed. It could be shown that in general an increase in Kerr rotation was accompanied by a decrease in reflectionity by the CeO 2 coatings. The results indicate an enhancement of the magneto-optic Kerr effects

  1. Three-parameter feedback control of amorphous ribbon magnetization

    Czech Academy of Sciences Publication Activity Database

    Stupakov, Oleksandr; Švec, P.

    2013-01-01

    Roč. 64, č. 3 (2013), s. 166-172 ISSN 0013-578X R&D Projects: GA ČR GP102/09/P108 Institutional support: RVO:68378271 Keywords : magnetic variables measurement * magnetic hysteresis * digital feedback control * amorphous magnetic materials Subject RIV: JB - Sensors, Measurment, Regulation

  2. Ion-induced damage and amorphization in Si

    International Nuclear Information System (INIS)

    Holland, O.W.; White, C.W.

    1990-01-01

    Ion-induced damage growth in high-energy, self-ion irradiated Si was studied using electron microscopy and Rutherford backscattering spectroscopy. The results show that there is a marked variation in the rate of damage growth, as well as the damage morphology, along the path of the ion. Near the ion end-of-range (eor), damage increases monotonically with ion fluence until a buried amorphous layer is formed, while damage growth saturates at a low level in the region ahead. The morphology of the damage in the saturated region is shown to consist predominantly of simple defect clusters such as the divacancy. Damage growth remains saturated ahead of the eor until expansion of the buried amorphous layer encroaches into the region. A homogeneous growth model is presented which accounts for damage saturation, and accurately predicts the dose-rate dependence of the saturation level. Modifications of the model are discussed which are needed to account for the rapid growth in the eor region and near the interface of the buried amorphous layer. Two important factors contributing to rapid damage growth are identified. Spatial separation of the Frenkel defect pairs (i.e. interstitials and vacancies) due to the momentum of the interstitials is shown to greatly impact damage growth near the eor, while uniaxial strain in the interfacial region of the amorphous layer is identified as an important factor contributing to growth at that location. 20 refs., 10 figs

  3. Compaction of Chemically Prepared Amorphous Fe-B nanoparticles

    DEFF Research Database (Denmark)

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

    1997-01-01

    We report on attempts to compact chemically prepared amorphous iron-boron particles. The praticles have a size of about 100 nm and are pyrophoric. We have made a special die for uniaxial pressing in which the compaction can be performed at elevated temperature without exposing the powder to air...

  4. Structure of hydrogenated amorphous silicon from ab initio molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Buda, F. (Department of Physics, The Ohio State University, 174 West 18th Avenue, Columbus, Ohio (USA)); Chiarotti, G.L. (International School for Advanced Studies, Strada Costiera 11, I-34014 Trieste (Italy) Laboratorio Tecnologie Avanzate Superfici e Catalisi del Consorzio Interuniversitario Nazionale di Fisica della Materia, Padriciano 99, I-34012 Trieste (Italy)); Car, R. (International School for Advanced Studies, Strada Costiera 11, I-34014 Trieste (Italy) Institut Romard de Recherche Numerique en Physique des Materiaux, CH-1015 Lausanne, Switzerland Department of Condensed Matter Physics, University of Geneva, CH-1211 Geneva (Switzerland)); Parrinello, M. (IBM Research Division, Zurich Research Laboratory, CH-8803 Rueschlikon (Switzerland))

    1991-09-15

    We have generated a model of hydrogenated amorphous silicon by first-principles molecular dynamics. Our results are in good agreement with the available experimental data and provide new insight into the microscopic structure of this material. The calculation lends support to models in which monohydride complexes are prevalent, and indicates a strong tendency of hydrogen to form small clusters.

  5. Theory of structure and properties of hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Chiarotti, G.L.; Car, R. (International School of Advanced Studies, Trieste (Italy) Interuniversitario Nazionale di Fisica della Materia (INFM), Trieste (Italy). Lab. Tecnologie Avanzate Superfici e Catalisi); Buda, F. (International School of Advanced Studies, Trieste (Italy) Ohio State Univ., Columbus, OH (USA). Dept. of Physics); Parrinello, M. (International School of Advanced Studies, Trieste

    1990-01-01

    We have generated a computer model of hydrogenated amorphous silicon by first-principles molecular dynamics. Our results are in good agreement with the available experimental data, and provide new insight into the microscopic structure of this material. This should lead to a better understanding of the hydrogenation process. 13 refs., 2 figs.

  6. Amorphous Silk Fibroin Membranes for Separation of CO2

    Science.gov (United States)

    Aberg, Christopher M.; Patel, Anand K.; Gil, Eun Seok; Spontak, Richard J.; Hagg, May-Britt

    2009-01-01

    Amorphous silk fibroin has shown promise as a polymeric material derivable from natural sources for making membranes for use in removing CO2 from mixed-gas streams. For most applications of silk fibroin, for purposes other than gas separation, this material is used in its highly crystalline, nearly natural form because this form has uncommonly high tensile strength. However, the crystalline phase of silk fibroin is impermeable, making it necessary to convert the material to amorphous form to obtain the high permeability needed for gas separation. Accordingly, one aspect of the present development is a process for generating amorphous silk fibroin by treating native silk fibroin in an aqueous methanol/salt solution. The resulting material remains self-standing and can be prepared as thin film suitable for permeation testing. The permeability of this material by pure CO2 has been found to be highly improved, and its mixed-gas permeability has been found to exceed the mixed-gas permeabilities of several ultrahigh-CO2-permeable synthetic polymers. Only one of the synthetic polymers poly(trimethylsilylpropyne) [PTMSP] may be more highly permeable by CO2. PTMSP becomes unstable with time, whereas amorphous silk should not, although at the time of this reporting this has not been conclusively proven.

  7. A model for stored energy in amorphous silica

    International Nuclear Information System (INIS)

    Tinivella, G.

    1980-12-01

    The observed saturation value of stored energy in irradiated amorphous silica is too big to be explained by the energy of recombined non-grouped defects. The hypothesis that it can be due to a structural change has been tested, and a simple model based on the fluctuation of the atomic distances shows a reasonable agreement with the experimental data. (author)

  8. Grain boundary resistance to amorphization of nanocrystalline silicon carbide

    Science.gov (United States)

    Chen, Dong; Gao, Fei; Liu, Bo

    2015-01-01

    Under the C displacement condition, we have used molecular dynamics simulation to examine the effects of grain boundaries (GBs) on the amorphization of nanocrystalline silicon carbide (nc-SiC) by point defect accumulation. The results show that the interstitials are preferentially absorbed and accumulated at GBs that provide the sinks for defect annihilation at low doses, but also driving force to initiate amorphization in the nc-SiC at higher doses. The majority of surviving defects are C interstitials, as either C-Si or C-C dumbbells. The concentration of defect clusters increases with increasing dose, and their distributions are mainly observed along the GBs. Especially these small clusters can subsequently coalesce and form amorphous domains at the GBs during the accumulation of carbon defects. A comparison between displacement amorphized nc-SiC and melt-quenched single crystal SiC shows the similar topological features. At a dose of 0.55 displacements per atom (dpa), the pair correlation function lacks long range order, demonstrating that the nc-SiC is fully amorphilized. PMID:26558694

  9. The production of UV Absorber amorphous cerium sulfide thin film

    Energy Technology Data Exchange (ETDEWEB)

    Kariper, İshak Afşin, E-mail: akariper@gmail.com [Faculty of Education, Erciyes University, Kayseri (Turkey)

    2017-10-15

    This study investigates the production of cerium sulfide (CeSx) amorphous thin films on substrates (commercial glass) by chemical bath deposition at different pH levels. The transmittance, absorption, optical band gap and refractive index of the films are measured by UV/VIS Spectrum. According to XRD analysis, the films show amorphous structure in the baths with pH: 1 to 5. It has been observed that the optical and structural properties of the films depend on pH value of the bath. The optical band gap (2.08 eV to 3.16 eV) of the films changes with the film thickness (23 nm to 1144 nm). We show that the refractive index has a positive relationship with the film thickness, where the values of 1.93, 1.45, 1.42, 2.60 and 1.39 are obtained for the former, and 34, 560, 509, 23 and 1144 nm (at 550 nm wavelength) for the latter. We compare the optical properties of amorphous and crystal form of CeSx thin films. We show that the optical band gaps of the amorphous CeS{sub x} are lower than that of crystal CeS{sub x} . (author)

  10. Designed synthesis of tunable amorphous carbon nanotubes (a ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 37; Issue 6. Designed synthesis of tunable amorphous carbon nanotubes (a-CNTs) by a novel route and their oxidation resistance properties. Longlong Xu Yifu Zhang Xiongzhi Zhang Yu Huang Xiaoyu Tan Chi Huang Xiao Mei Fei Niu Changgong Meng Gongzhen ...

  11. Macroscopic and microscopic magnetism of metal-metalloid amorphous alloys

    International Nuclear Information System (INIS)

    Vasconcellos, M.A.Z.; Fichtner, P.F.P.; Livi, F.P.; Costa, M.I. da; Baibich, M.N.

    1984-01-01

    In this paper is investigated the interrelation between macroscopic and microscopic magnetic phenomena using experimetnal data from Moessbauer effect and the magnetization of layers of amorphous (Fe 1-x Ni x ) 80 B 20 . The Moessbauer effect measurement show a distribution of hyperfine fields in Fe site as well as a likely distribution of isomeric shifts (M.W.O.) [pt

  12. A new tevchnique for production of amorphous silicon solar cells

    International Nuclear Information System (INIS)

    Andrade, A.M. de; Pereyra, I.; Sanematsu, M.S.; Corgnier, S.L.L.; Fonseca, F.J.

    1984-01-01

    It is presented a new technique for the production of amorphous silicon solar cells based on the development of thin films of a-Si in a reactor in which the decomposition of the sylane, induced by capacitively coupled RF, and the film deposition occur in separate chambers. (M.W.O.) [pt

  13. Amorphous carbon enhancement of hydrogen penetration into UO2

    International Nuclear Information System (INIS)

    Zalkind, S.; Shamir, N.; Gouder, T.; Akhvlediani, R.; Hoffman, A.

    2014-01-01

    In a previous study, it was demonstrated that an amorphous carbon layer, deposited on a native oxide covered uranium surface, significantly enhances the interaction of hydrogen with the uranium metal. Fig. 1[2], demonstrates the preferential hydrogen attack (forming uranium hydride) on the carbon covered area of the naturally oxidized uranium metal

  14. Modeling of amorphous carbon structures with arbitrary structural constraints.

    Science.gov (United States)

    Jornada, F H; Gava, V; Martinotto, A L; Cassol, L A; Perottoni, C A

    2010-10-06

    In this paper we describe a method to generate amorphous structures with arbitrary structural constraints. This method employs the simulated annealing algorithm to minimize a simple yet carefully tailored cost function (CF). The cost function is composed of two parts: a simple harmonic approximation for the energy-related terms and a cost that penalizes configurations that do not have atoms in the desired coordinations. Using this approach, we generated a set of amorphous carbon structures spawning nearly all the possible combinations of sp, sp(2) and sp(3) hybridizations. The bulk moduli of this set of amorphous carbons structures was calculated using Brenner's potential. The bulk modulus strongly depends on the mean coordination, following a power-law behavior with an exponent ν = 1.51 ± 0.17. A modified cost function that segregates carbon with different hybridizations is also presented, and another set of structures was generated. With this new set of amorphous materials, the correlation between the bulk modulus and the mean coordination weakens. The method proposed can be easily modified to explore the effects on the physical properties of the presence of hydrogen, dangling bonds, and structural features such as carbon rings.

  15. Amorphous silica studied by high energy x-ray diffraction

    DEFF Research Database (Denmark)

    Poulsen, H.F.; Neuefeind, J.; Neumann, H.B.

    1995-01-01

    -ray and neutron data. A feasibility study of amorphous silica has been performed at 95 keV, using a wiggler synchrotron beam-line at HASYLAB and a cylindrical sample, 3 mm in diameter. The range of Q between 0.8 and 32 Angstrom(-1) was covered. A thorough discussion of the experimental challenges is given...

  16. Superconducting properties of amorphous Zr-Ge binary alloys

    International Nuclear Information System (INIS)

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

    1982-01-01

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

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

    African Journals Online (AJOL)

    Amorphous nickel–phosphorus (Ni–P)-based Carbon Nanotubes (CNTs) composite coatings were prepared by brush electroplating technology. Wear tests for the coatings were conducted. The deformation of the microstructures in the coatings after wear was analyzed by transmission electron microscopy. The results ...

  18. Reversible electrical resistance switching in GeSbTe thin films : An electrolytic approach without amorphous-crystalline phase-change

    NARCIS (Netherlands)

    Pandian, Ramanathaswamy; Kooi, Bart J.; Palasantzas, George; De Hosson, Jeff Th. M.; Wouters, DJ; Hong, S; Soss, S; Auciello, O

    2008-01-01

    Besides the well-known resistance switching originating from the amorphous-crystalline phase-change in GeSbTe thin films, we demonstrate another switching mechanism named 'polarity-dependent resistance (PDR) switching'. 'Me electrical resistance of the film switches between a low- and high-state

  19. Annealing-induced crystallization of the Er.sub.2./sub.Fe.sub.13.8./sub.B alloy amorphized by irradiation

    Czech Academy of Sciences Publication Activity Database

    Chukalkin, Y.G.; Teplykh, A. E.; Kudrevatykh, N. V.; Bogdanov, S.G.; Choo, K.N.; Lee, S.; Andreev, Alexander V.; Pirogov, A. N.

    2015-01-01

    Roč. 116, č. 3 (2015), s. 242-247 ISSN 0031-918X R&D Projects: GA ČR GAP204/12/0150 Institutional support: RVO:68378271 Keywords : permanent magnets * amorphous state * isochronous annealing * crystallization * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.794, year: 2015

  20. Optical properties of amorphous hydrogenated and microcrystalline silicon films prepared by plasma enhanced chemical vapor deposition and re-crystallized at moderate temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Netrvalova, Marie; Prusakova, Lucie; Sutta, Pavol [New Technologies - Research Centre, University of West Bohemia, Univerzitni 8, 30614 Plzen (Czech Republic); Mullerova, Jarmila [Faculty of Electrical Engineering, University of Zilina, ul. kpt. J. Nalepku 1390, 03101 Liptovsky Mikulas (Slovakia)

    2011-09-15

    Amorphous hydrogenated silicon films different in thickness (600 - 2400 nm) were deposited by plasma enhanced chemical vapour deposition on Corning glass substrates at 250 C using silan 10% / argon 90% gas mixture. The samples were consequently isothermally heated in a high temperature vacuum chamber at 0.1 Pa and at temperatures from 580 to 620 C. In order to evaluate structural and optical properties of the films X-ray diffraction analysis, Raman spectrometry and optical spectrophotometry were used. Crystalline state (amorphous or microcrystalline), optical band gaps, refractive indices, extinction coefficients, absorption coefficients were determined. X-ray diffraction analysis indicated that originally deposited films were amorphous with different degree of homogeneity depending on the film thickness. After the heat treatment the films became polycrystalline with crystallite sizes 40-50 nm without particular dependence on the recrystallization process used. Raman spectrometry confirmed the results obtained from X-ray diffraction and furthermore revealed the residual amorphous phase 20-25% in volume. Optical spectrophotometry has shown that the values of refractive indices of thermally treated films approach the mono-crystalline silicon refractive index. Extinction coefficients of the thermally treated films are slightly higher than those for monocrystalline silicon. Absorption coefficients for thermally treated films reached quite high values near the absorption edge of the original amorphous material, which can be advantageous for tandem solar cell technologies. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Acceleration of Crystal Growth of Amorphous Griseofulvin by Low-Concentration Poly(ethylene oxide): Aspects of Crystallization Kinetics and Molecular Mobility.

    Science.gov (United States)

    Shi, Qin; Zhang, Chen; Su, Yuan; Zhang, Jie; Zhou, Dongshan; Cai, Ting

    2017-07-03

    This study aims to investigate the crystallization behavior and molecular dynamics of amorphous griseofulvin (GSF) in the presence of low-concentration poly(ethylene oxide) (PEO). We observe that the addition of 3% w/w PEO remarkably increases the crystal growth rate of GSF by two orders of magnitude in both the supercooled liquid and glassy states. The liquid dynamics of amorphous GSF in the presence and absence of PEO are characterized by dielectric spectroscopy. With an increase of the PEO content, the α-relaxation times of the systems decrease, indicating the increase of global molecular mobility. The couplings between molecular mobility and crystallization kinetics of GSF systems show strong time-dependences below T g . The overlapping of α-relaxation times of GSF in presence and absence of PEO as a function of T g /T suggest the "plasticization" effect of PEO additives. However, the crystallization kinetics of amorphous GSF containing low-concentration PEO do not overlap with those of pure GSF on a T g /T scale. The remarkable accelerating effect of crystal growth of amorphous GSF by low-concentration PEO can be partially attributed to the increase of global mobility. The high segmental mobility of PEO is expected to strongly affect the crystal growth rates of GSF. These findings are relevant for understanding and predicting the physical stability of amorphous pharmaceutical solid dispersions.

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

    Energy Technology Data Exchange (ETDEWEB)

    Fong, S. W., E-mail: swfong@stanford.edu; Wong, H.-S. P. [Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States); Sood, A. [Department of Material Science and Engineering, Stanford University, Stanford, California 94305 (United States); Department of Mechanical Engineering, Stanford University, Stanford, California 94305 (United States); Chen, L. [School of Energy and Power Engineering, Xi' an Jiatong University, Xi' an, Shaanxi 710049 (China); Kumari, N.; Gibson, G. A. [Hewlett-Packard Labs, 1501 Page Mill Rd., Palo Alto, California 94304 (United States); Asheghi, M.; Goodson, K. E. [Department of Mechanical Engineering, Stanford University, Stanford, California 94305 (United States)

    2016-07-07

    In this work, we investigate the temperature-dependent thermal conductivities of few nanometer thick alternating stacks of amorphous dielectrics, specifically SiO{sub 2}/Al{sub 2}O{sub 3} and SiO{sub 2}/Si{sub 3}N{sub 4}. 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 SiO{sub 2}/Si{sub 3}N{sub 4} and SiO{sub 2}/Al{sub 2}O{sub 3} exhibit through-plane room temperature effective thermal conductivities of about 1.14 and 0.48 W/(m × K), respectively. In the case of SiO{sub 2}/Al{sub 2}O{sub 3}, the reduced conductivity is attributed to lowered film density (7.03 → 5.44 × 10{sup 28 }m{sup –3} for SiO{sub 2} and 10.2 → 8.27 × 10{sup 28 }m{sup –3} for Al{sub 2}O{sub 3}) caused by atomic layer deposition of thin-films as well as a small, finite, and repeating thermal boundary resistance (TBR) of 1.5 m{sup 2} 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.

  3. Tc, 2Δ0/KBTc and parameters of phonon spectrum for amorphous superconductors

    International Nuclear Information System (INIS)

    Cao Xiaowen

    1987-04-01

    After the correlations between superconducting parameters T C and 2Δ 0 , the parameters of the phonon spectrum, λ, , 2 > and Hall coefficient R H and between the superconducting T C and the parameters of the phonon spectrum ω 0 and /ω 0 were researched analytically. It had been found that there is a maximum of the above-mentioned both superconducting and the phonon spectrum parameters in the region of R H = -3.5 to -4.0 x 10 -11 m 3 /AS and that the materials having high ω 0 is favourable to obtain amorphous superconductors with high T C as well as that the relation between T C and the degree of the lattice disorder (i.e. /ω 0 value) is linear. On the basis of the above-mentioned results, a formula of T C and 2Δ 0 /k B T C of amorphous superconductors had been given. According to both proposed formula, it is noted for the first time that amorphous superconductor of the non-transition metals and their alloys is either a typical strong coupling superconductor which has a much larger 2 Δ 0 /k B T C than BCS theory or a extreme weak coupling superconductor which has a much smaller 2 Δ 0 /k B T C than BCS theory. Of coures, they can be also a weak coupling superconductor whose 2 Δ 0 /k B T C is consistent with BCS theory or approximate to one. The reason that the measurement value of 2 Δ 0 /k BTC of the weak coupling superconductors in the crystal state deviates obviously from BCS theory has been explained

  4. Far-infrared reflection-absorption spectroscopy of amorphous and polycrystalline gallium arsenide films

    International Nuclear Information System (INIS)

    Gregory, J.R.

    1992-01-01

    We have reported far-infrared reflection absorption spectra (30-320CM -1 ) at 30 and 310K for nine films of non-stoichiometric GaAs. The FIRRAS measurements were performed using the grazing incidence FIR double-modulation spectroscopy technique first described by DaCosta and Coleman. The films were fabricated by molecular beam deposition on metallized substrates for two As/Ga molecular beam flux ratios. The films were characterized by depth profilometry, IRAS, XRD, and x-ray microprobe analysis. Film thicknesses ranged from 800 to 5800 angstrom and compositions were 45-50% As for a MB flux ratio of 0.29 and 60-70% As for a ratio of 1.12. FIRRAS measurements were made and characterizations performed for as-deposited films and for 5 hour anneals at 473, 573, 673 and 723 degrees C. Vibrational spectra of the crystallized films were interpreted in terms of the exact reflectivity of a thin dielectric film on a conducting substrate, using a classical Lorentzian dielectric function for the response of the film. Resonances appearing in the open-quote forbidden close-quote region between the TO and LO frequencies were modelled with an effective medium approximation and are interpreted as arising from small-scale surface roughness. The behavior of the amorphous film spectra were examined within two models. The effective force constant model describes the variation of the reflection-absorption maxima with measured crystallite size in terms of the effective vibration frequency of 1-D atomic chains having force constants distributed according to the parameters of the crystalline-to-amorphous relaxation length and the crystalline to amorphous force constant ratio. The dielectric function continuum model uses the relaxation of the crystal momentum selection rule to calculate the reflection-absorption spectrum based on a dielectric function in which the oscillator strength is the normalized product of a constant dipole strength and the smoothed vibrational density of states

  5. Moisture-induced phase separation and recrystallization in amorphous solid dispersions.

    Science.gov (United States)

    Luebbert, Christian; Sadowski, Gabriele

    2017-10-30

    Active Pharmaceutical Ingredients (APIs) are often dissolved in polymeric matrices to control the gastrointestinal dissolution and to stabilize the amorphous state of the API. During the pharmaceutical development of new formulations, stability studies via storage at certain temperature and relative humidity (RH) have to be carried out to verify the long-term thermodynamic stability of these formulations against unwanted recrystallization and moisture-induced amorphous-amorphous phase separation (MIAPS). This study focuses on predicting the MIAPS of API/polymer formulations at elevated RH. In a first step, the phase behavior of water-free formulations of ibuprofen (IBU) and felodipine (FEL) combined with the polymers poly(vinyl pyrrolidone) (PVP), poly(vinyl acetate) (PVAC) and poly (vinyl pyrrolidone-co-vinyl acetate) (PVPVA64) was determined experimentally by differential scanning calorimetry (DSC). The phase behavior of these water-free formulations was modeled using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT). Based on this, the API solubility and MIAPS in the above-mentioned formulations at humid conditions was predicted in perfect agreement with the results of two-year lasting stability studies at 25°C/0% RH and 40°C/75% RH. MIAPS was predicted and also experimentally found for the FEL/PVP, FEL/PVPVA64 and IBU/PVP formulations, whereas MIAPS was neither predicted nor measured for the IBU/PVPVA64 system and PVAC-containing formulations. It was thus shown that the results of time-consuming long-term stability tests can be correctly predicted via thermodynamic modeling with PC-SAFT. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Physical stability and recrystallization kinetics of amorphous ibipinabant drug product by fourier transform raman spectroscopy.

    Science.gov (United States)

    Sinclair, Wayne; Leane, Michael; Clarke, Graham; Dennis, Andrew; Tobyn, Mike; Timmins, Peter

    2011-11-01

    The solid-state physical stability and recrystallization kinetics during storage stability are described for an amorphous solid dispersed drug substance, ibipinabant, at a low concentration (1.0%, w/w) in a solid oral dosage form (tablet). The recrystallization behavior of the amorphous ibipinabant-polyvinylpyrrolidone solid dispersion in the tablet product was characterized by Fourier transform (FT) Raman spectroscopy. A partial least-square analysis used for multivariate calibration based on Raman spectra was developed and validated to detect less than 5% (w/w) of the crystalline form (equivalent to less than 0.05% of the total mass of the tablet). The method provided reliable and highly accurate predictive crystallinity assessments after exposure to a variety of stability storage conditions. It was determined that exposure to moisture had a significant impact on the crystallinity of amorphous ibipinabant. The information provided by the method has potential utility for predictive physical stability assessments. Dissolution testing demonstrated that the predicted crystallinity had a direct correlation with this physical property of the drug product. Recrystallization kinetics was measured using FT Raman spectroscopy for the solid dispersion from the tablet product stored at controlled temperature and relative humidity. The measurements were evaluated by application of the Johnson-Mehl-Avrami (JMA) kinetic model to determine recrystallization rate constants and Avrami exponent (n = 2). The analysis showed that the JMA equation could describe the process very well, and indicated that the recrystallization kinetics observed was a two-step process with an induction period (nucleation) followed by rod-like crystal growth. Copyright © 2011 Wiley-Liss, Inc.

  7. Cataract-associated P23T γD-crystallin retains a native-like fold in amorphous-looking aggregates formed at physiological pH

    Science.gov (United States)

    Boatz, Jennifer C.; Whitley, Matthew J.; Li, Mingyue; Gronenborn, Angela M.; van der Wel, Patrick C. A.

    2017-05-01

    Cataracts cause vision loss through the large-scale aggregation of eye lens proteins as a result of ageing or congenital mutations. The development of new treatments is hindered by uncertainty about the nature of the aggregates and their mechanism of formation. We describe the structure and morphology of aggregates formed by the P23T human γD-crystallin mutant associated with congenital cataracts. At physiological pH, the protein forms aggregates that look amorphous and disordered by electron microscopy, reminiscent of the reported formation of amorphous deposits by other crystallin mutants. Surprisingly, solid-state NMR reveals that these amorphous deposits have a high degree of structural homogeneity at the atomic level and that the aggregated protein retains a native-like conformation, with no evidence for large-scale misfolding. Non-physiological destabilizing conditions used in many in vitro aggregation studies are shown to yield qualitatively different, highly misfolded amyloid-like fibrils.

  8. Device and material characterization and analytic modeling of amorphous silicon thin film transistors

    Science.gov (United States)

    Slade, Holly Claudia

    Hydrogenated amorphous silicon thin film transistors (TFTs) are now well-established as switching elements for a variety of applications in the lucrative electronics market, such as active matrix liquid crystal displays, two-dimensional imagers, and position-sensitive radiation detectors. These applications necessitate the development of accurate characterization and simulation tools. The main goal of this work is the development of a semi- empirical, analytical model for the DC and AC operation of an amorphous silicon TFT for use in a manufacturing facility to improve yield and maintain process control. The model is physically-based, in order that the parameters scale with gate length and can be easily related back to the material and device properties. To accomplish this, extensive experimental data and 2D simulations are used to observe and quantify non- crystalline effects in the TFTs. In particular, due to the disorder in the amorphous network, localized energy states exist throughout the band gap and affect all regimes of TFT operation. These localized states trap most of the free charge, causing a gate-bias-dependent field effect mobility above threshold, a power-law dependence of the current on gate bias below threshold, very low leakage currents, and severe frequency dispersion of the TFT gate capacitance. Additional investigations of TFT instabilities reveal the importance of changes in the density of states and/or back channel conduction due to bias and thermal stress. In the above threshold regime, the model is similar to the crystalline MOSFET model, considering the drift component of free charge. This approach uses the field effect mobility to take into account the trap states and must utilize the correct definition of threshold voltage. In the below threshold regime, the density of deep states is taken into account. The leakage current is modeled empirically, and the parameters are temperature dependent to 150oC. The capacitance of the TFT can be

  9. Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Chenyang; Teerakapibal, Rattavut; Yu, Lian; Zhang, Geoff G. Z.

    2017-07-10

    Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accuratein situstructural studies for a wide range of materials.

  10. Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

    Directory of Open Access Journals (Sweden)

    Chenyang Shi

    2017-09-01

    Full Text Available Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accurate in situ structural studies for a wide range of materials.

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

    Science.gov (United States)

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

    2013-10-24

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

  12. Mesoporous calcium carbonate as a phase stabilizer of amorphous celecoxib--an approach to increase the bioavailability of poorly soluble pharmaceutical substances.

    Science.gov (United States)

    Forsgren, Johan; Andersson, Mattias; Nilsson, Peter; Mihranyan, Albert

    2013-11-01

    The bioavailability of crystalline pharmaceutical substances is often limited by their poor aqueous solubility but it can be improved by formulating the active substance in the amorphous state that is featured with a higher apparent solubility. Although the possibility of stabilizing amorphous drugs inside nano-sized pores of carbon nanotubes and ordered mesoporous silica has been shown, no conventional pharmaceutical excipients have so far been shown to possess this property. This study demonstrates the potential of using CaCO3 , a widely used excipient in oral drug formulations, to stabilize the amorphous state of active pharmaceutical ingredients, in particular celecoxib. After incorporation of celecoxib in the vaterite particles, a five to sixfold enhancement in apparent solubility of celecoxib is achieved due to pore-induced amorphization. To eliminate the possibility of uncontrolled phase transitions, the vaterite particles are stored in an inert atmosphere at 5 °C throughout the study. Also, to demonstrate that the amorphization effect is indeed associated with vaterite mesopores, accelerated stress conditions of 100% relative humidity are employed to impose transition from mesoporous vaterite to an essentially non-porous aragonite phase of CaCO3 , which shows only limited amorphization ability. Further, an improvement in solubility is also confirmed for ketoconazole when formulated with the mesoporous vaterite. Synthesis of the carrier particles and the incorporation of the active substances are carried out simultaneously in a one-step procedure, enabling easy fabrication. These results represent a promising approach to achieve enhanced bioavailability in new formulations of Type II BCS drugs. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Amorphous and Polycrystalline Photoconductors for Direct Conversion Flat Panel X-Ray Image Sensors

    Directory of Open Access Journals (Sweden)

    Karim S. Karim

    2011-05-01

    Full Text Available In the last ten to fifteen years there has been much research in using amorphous and polycrystalline semiconductors as x-ray photoconductors in various x-ray image sensor applications, most notably in flat panel x-ray imagers (FPXIs. We first outline the essential requirements for an ideal large area photoconductor for use in a FPXI, and discuss how some of the current amorphous and polycrystalline semiconductors fulfill these requirements. At present, only stabilized amorphous selenium (doped and alloyed a-Se has been commercialized, and FPXIs based on a-Se are particularly suitable for mammography, operating at the ideal limit of high detective quantum efficiency (DQE. Further, these FPXIs can also be used in real-time, and have already been used in such applications as tomosynthesis. We discuss some of the important attributes of amorphous and polycrystalline x-ray photoconductors such as their large area deposition ability, charge collection efficiency, x-ray sensitivity, DQE, modulation transfer function (MTF and the importance of the dark current. We show the importance of charge trapping in limiting not only the sensitivity but also the resolution of these detectors. Limitations on the maximum acceptable dark current and the corresponding charge collection efficiency jointly impose a practical constraint that many photoconductors fail to satisfy. We discuss the case of a-Se in which the dark current was brought down by three orders of magnitude by the use of special blocking layers to satisfy the dark current constraint. There are also a number of polycrystalline photoconductors, HgI2 and PbO being good examples, that show potential for commercialization in the same way that multilayer stabilized a-Se x-ray photoconductors were developed for commercial applications. We highlight the unique nature of avalanche multiplication in a-Se and how it has led to the development of the commercial HARP video-tube. An all solid state version of the

  14. Characterization of Phase Separation Propensity for Amorphous Spray Dried Dispersions.

    Science.gov (United States)

    McNamara, Daniel; Yin, Shawn; Pan, Duohai; Crull, George; Timmins, Peter; Vig, Balvinder

    2017-02-06

    A generalized screening approach, applying isothermal calorimetry at 37 °C 100% RH, to formulations of spray dried dispersions (SDDs) for two active pharmaceutical ingredients (APIs) (BMS-903452 and BMS-986034) is demonstrated. APIs 452 and 034, with similar chemotypes, were synthesized and promoted during development for oral dosing. Both APIs were formulated as SDDs for animal exposure studies using the polymer hydroxypropylmethlycellulose acetyl succinate M grade (HPMCAS-M). 452 formulated at 30% (wt/wt %) was an extremely robust SDD that was able to withstand 40 °C 75% RH open storage conditions for 6 months with no physical evidence of crystallization or loss of dissolution performance. Though 034 was a chemical analogue with similar physical chemical properties to 452, a physically stable SDD of 034 could not be formulated in HPMCAS-M at any of the drug loads attempted. This study was used to develop experience with specific physical characterization laboratory techniques to evaluate the physical stability of SDDs and to characterize the propensity of SDDs to phase separate and possibly crystallize. The screening strategy adopted was to stress the formulated SDDs with a temperature humidity screen, within the calorimeter, and to apply orthogonal analytical techniques to gain a more informed understanding of why these SDDs formulated with HPMCAS-M demonstrated such different physical stability. Isothermal calorimetry (thermal activity monitor, TAM) was employed as a primary stress screen wherein the SDD formulations were monitored for 3 days at 37 °C 100% RH for signs of phase separation and possible crystallization of API. Powder X-ray diffraction (pXRD), modulated differential scanning calorimetry (mDSC), Fourier transform infrared spectroscopy (FTIR), and solid state nuclear magnetic resonance (ssNMR) were all used to examine formulated SDDs and neat amorphous drug. 452 SDDs formulated at 30% (wt/wt %) or less did not show phase separation behavior upon

  15. Optical dielectric function of intrinsic amorphous silicon

    International Nuclear Information System (INIS)

    Ching, W.Y.; Lin, C.C.

    1978-01-01

    The imaginary part of the optical dielectric function epsilon 2 (ω) has been calculated using a continuous-random-tetrahedral network as the structural model for the atomic positions. Here the electronic energies and wave functions are determined by first-principles calculations with the method of linear combinations of atomic orbitals (LCAO), and the momentum matrix elements are evaluated directly from the LCAO wave functions. The calculated dielectric function is in good overall agreement with experiment. At energies within 1 eV above the threshold, the epsilon 2 curve shows some structures that are due to interband transitions between the localized states near the band gap

  16. Electrical Characterization of Amorphous Silicon MIS-Based Structures for HIT Solar Cell Applications

    Science.gov (United States)

    García, Héctor; Castán, Helena; Dueñas, Salvador; Bailón, Luis; García-Hernansanz, Rodrigo; Olea, Javier; del Prado, Álvaro; Mártil, Ignacio

    2016-07-01

    A complete electrical characterization of hydrogenated amorphous silicon layers (a-Si:H) deposited on crystalline silicon (c-Si) substrates by electron cyclotron resonance chemical vapor deposition (ECR-CVD) was carried out. These structures are of interest for photovoltaic applications. Different growth temperatures between 30 and 200 °C were used. A rapid thermal annealing in forming gas atmosphere at 200 °C during 10 min was applied after the metallization process. The evolution of interfacial state density with the deposition temperature indicates a better interface passivation at higher growth temperatures. However, in these cases, an important contribution of slow states is detected as well. Thus, using intermediate growth temperatures (100-150 °C) might be the best choice.

  17. Amorphous metal formulations and structured coatings for corrosion and wear resistance

    Science.gov (United States)

    Farmer, Joseph C [Tracy, CA

    2011-12-13

    A system for coating a surface comprising providing a source of amorphous metal that contains more than 11 elements and applying the amorphous metal that contains more than 11 elements to the surface by a spray. Also a coating comprising a composite material made of amorphous metal that contains more than 11 elements. An apparatus for producing a corrosion-resistant amorphous-metal coating on a structure comprises a deposition chamber, a deposition source in the deposition chamber that produces a deposition spray, the deposition source containing a composite material made of amorphous metal that contains more than 11 elements, and a system that directs the deposition spray onto the structure.

  18. Molecular dynamics simulation of ion-beam-amorphization of Si, Ge and GaAs

    CERN Document Server

    Nord, J D; Keinonen, J

    2002-01-01

    We use molecular dynamics simulations to study ion-irradiation-induced amorphization in Si, Ge and GaAs using several different interatomic force models. We find that the coordination number is higher, and the average bond length longer, for the irradiated amorphous structures than for the molten ones in Si and Ge. For amorphous GaAs, we suggest that longer Ga-Ga bonds, also present in pure Ga, are produced during the irradiation. In Si the amorphization is found to proceed via growth of amorphous regions, and low energy recoils are found to induce athermal recrystallization during irradiation.

  19. Structure and electronic properties features of amorphous chalhogenide semiconductor films prepared by ion-plasma spraying

    Energy Technology Data Exchange (ETDEWEB)

    Korobova, N., E-mail: korobova3@mail.ru; Timoshenkov, S. [Department of Microelectronics, National Research University of Electronic Technology (MIET), Zelenograd (Russian Federation); Almasov, N.; Prikhodko, O. [al-Farabi Kazakh National University, Almaty (Kazakhstan); Tsendin, K. [Ioffe Physical-Technical Institute, Russian Academy of Sciences, St. Petersburg (Russian Federation)

    2014-10-21

    Structure of amorphous chalcogenide semiconductor glassy As-S-Se films, obtained by high-frequency (HF) ion-plasma sputtering has been investigated. It was shown that the length of the atomic structure medium order and local structure were different from the films obtained by thermal vacuum evaporation. Temperature dependence of dark conductivity, as well as the dependence of the spectral transmittance has been studied. Conductivity value was determined at room temperature. Energy activation conductivity and films optical band gap have been calculated. Temperature and field dependence of the drift mobility of charge carriers in the HF As-S-Se films have been shown. Bipolarity of charge carriers drift mobility has been confirmed. Absence of deep traps for electrons in the As{sub 40}Se{sub 30}S{sub 30} spectrum of localized states for films obtained by HF plasma ion sputtering was determined. Bipolar drift of charge carriers was found in amorphous As{sub 40}Se{sub 30}S{sub 30} films obtained by ion-plasma sputtering of high-frequency, unlike the films of these materials obtained by thermal evaporation.

  20. Correlation between substrate bias, growth process and structural properties of phosphorus incorporated tetrahedral amorphous carbon films

    International Nuclear Information System (INIS)

    Liu Aiping; Zhu Jiaqi; Han Jiecai; Wu Huaping; Jia Zechun

    2007-01-01

    We investigate the growth process and structural properties of phosphorus incorporated tetrahedral amorphous carbon (ta-C:P) films which are deposited at different substrate biases by filtered cathodic vacuum arc technique with PH 3 as the dopant source. The films are characterized by X-ray photoelectron spectroscopy (XPS), atomic force microscopy, Raman spectroscopy, residual stress measurement, UV/VIS/NIR absorption spectroscopy and temperature-dependent conductivity measurement. The atomic fraction of phosphorus in the films as a function of substrate bias is obtained by XPS analysis. The optimum bias for phosphorus incorporation is about -80 V. Raman spectra show that the amorphous structures of all samples with atomic-scaled smooth surface are not remarkably changed when PH 3 is implanted, but some small graphitic crystallites are formed. Moreover, phosphorus impurities and higher-energetic impinging ions are favorable for the clustering of sp 2 sites dispersed in sp 3 skeleton and increase the level of structural ordering for ta-C:P films, which further releases the compressive stress and enhances the conductivity of the films. Our analysis establishes an interrelationship between microstructure, stress state, electrical properties, and substrate bias, which helps to understand the deposition mechanism of ta-C:P films