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Sample records for nitrogen-incorporated tetrahedral amorphous

  1. Effect of high substrate bias and hydrogen and nitrogen incorporation on filtered cathodic vacuum arc deposited tetrahedral amorphous carbon films

    International Nuclear Information System (INIS)

    Panwar, O.S.; Khan, Mohd. Alim; Kumar, Mahesh; Shivaprasad, S.M.; Satyanarayana, B.S.; Dixit, P.N.; Bhattacharyya, R.; Khan, M.Y.

    2008-01-01

    The application of a sufficiently high negative substrate bias, during the growth of tetrahedral amorphous carbon (ta-C), is usually associated with low sp 3 bonding configuration and stressed films. However, in an effort to understand and utilize the higher pseudo thermo dynamical conditions during the film growth, at high negative substrate bias (- 300 V), reported here is a study on ta-C films grown under different hydrogen and nitrogen concentration. As grown ta-C films were studied under different negative substrate bias conditions. The variation of the sp 3 content and sp 3 /sp 2 ratio in the ta-C films exhibits a trend similar to those reported in literature, with a subtle variation in this report being the substrate bias voltage, which was observed to be around - 200 V, for obtaining the highest sp 3 (80%) bonding and sp 3 /sp 2 (3.95) ratio. The hydrogen and nitrogen incorporated ta-C films studied, at a bias of - 300 V, show an increase in sp 3 (87-91%) bonding and sp 3 /sp 2 (7-10) ratio in the range of studies reported. The inference is drawn on the basis of the set of data obtained from measurements carried out using X-ray photoelectron spectroscopy, X-ray induced Auger electron spectroscopy and Raman spectroscopy of as grown and hydrogen and nitrogen incorporated ta-C films deposited using an S bend filtered cathodic vacuum arc system. The study indicates the possibility of further tailoring ta-C film properties and also extending capabilities of the cathodic arc system for developing carbon based films for electronics and tribological applications

  2. Effect of high substrate bias and hydrogen and nitrogen incorporation on filtered cathodic vacuum arc deposited tetrahedral amorphous carbon films

    Energy Technology Data Exchange (ETDEWEB)

    Panwar, O.S. [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India)], E-mail: ospanwar@mail.nplindia.ernet.in; Khan, Mohd. Alim [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Kumar, Mahesh; Shivaprasad, S.M. [Surface Physics and Nanostructures Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Satyanarayana, B.S. [MIT Innovation Centre and Electronics and Communication Department, Manipal Institute of Technology, Manipal-579104 (India); Dixit, P.N. [Plasma Processed Materials Group, National Physical Laboratory, Dr. K.S. Krishnan Road, New Delhi-110 012 (India); Bhattacharyya, R. [Emeritus Scientist, National Physical Laboratory, New Delhi-110012 (India); Khan, M.Y. [Department of Physics, Jamia Millia Islamia, Central University, New Delhi-110025 (India)

    2008-02-29

    The application of a sufficiently high negative substrate bias, during the growth of tetrahedral amorphous carbon (ta-C), is usually associated with low sp{sup 3} bonding configuration and stressed films. However, in an effort to understand and utilize the higher pseudo thermo dynamical conditions during the film growth, at high negative substrate bias (- 300 V), reported here is a study on ta-C films grown under different hydrogen and nitrogen concentration. As grown ta-C films were studied under different negative substrate bias conditions. The variation of the sp{sup 3} content and sp{sup 3}/sp{sup 2} ratio in the ta-C films exhibits a trend similar to those reported in literature, with a subtle variation in this report being the substrate bias voltage, which was observed to be around - 200 V, for obtaining the highest sp{sup 3} (80%) bonding and sp{sup 3}/sp{sup 2} (3.95) ratio. The hydrogen and nitrogen incorporated ta-C films studied, at a bias of - 300 V, show an increase in sp{sup 3} (87-91%) bonding and sp{sup 3}/sp{sup 2} (7-10) ratio in the range of studies reported. The inference is drawn on the basis of the set of data obtained from measurements carried out using X-ray photoelectron spectroscopy, X-ray induced Auger electron spectroscopy and Raman spectroscopy of as grown and hydrogen and nitrogen incorporated ta-C films deposited using an S bend filtered cathodic vacuum arc system. The study indicates the possibility of further tailoring ta-C film properties and also extending capabilities of the cathodic arc system for developing carbon based films for electronics and tribological applications.

  3. Electron emission induced modifications in amorphous tetrahedral diamondlike carbon

    International Nuclear Information System (INIS)

    Mercer, T.W.; DiNardo, N.J.; Rothman, J.B.; Siegal, M.P.; Friedmann, T.A.; Martinez-Miranda, L.J.

    1998-01-01

    The cold-cathode electron emission properties of amorphous tetrahedral diamondlike carbon are promising for flat-panel display and vacuum microelectronics technologies. The onset of electron emission is, typically, preceded by open-quotes conditioningclose quotes where the material is stressed by an applied electric field. To simulate conditioning and assess its effect, we combined the spatially localized field and current of a scanning tunneling microscope tip with high-spatial-resolution characterization. Scanning force microscopy shows that conditioning alters surface morphology and electronic structure. Spatially resolved electron-energy-loss spectroscopy indicates that the predominant bonding configuration changes from predominantly fourfold to threefold coordination. copyright 1998 American Institute of Physics

  4. Chemical bonding modifications of tetrahedral amorphous carbon and nitrogenated tetrahedral amorphous carbon films induced by rapid thermal annealing

    International Nuclear Information System (INIS)

    McCann, R.; Roy, S.S.; Papakonstantinou, P.; Bain, M.F.; Gamble, H.S.; McLaughlin, J.A.

    2005-01-01

    Tetrahedral amorphous carbon (ta-C) and nitrogenated tetrahedral amorphous carbon films (ta-CN x ), deposited by double bend off plane Filtered Vacuum Cathodic Arc were annealed up to 1000 deg. C in flowing argon for 2 min. Modifications on the chemical bonding structure of the rapidly annealed films, as a function of temperature, were investigated by NEXAFS, X-ray photoelectron and Raman spectroscopies. The interpretation of these spectra is discussed. The results demonstrate that the structure of undoped ta-C films prepared at floating potential with an arc current of 80 A remains stable up to 900 deg. C, whereas that of ta-CN x containing 12 at.% nitrogen is stable up to 700 deg. C. At higher temperatures, all the spectra indicated the predominant formation of graphitic carbon. Through NEXAFS studies, we clearly observed three π* resonance peaks at the ' N K edge structure. The origin of these three peaks is not well established in the literature. However our temperature-dependant study ascertained that the first peak originates from C=N bonds and the third peak originates from the incorporation of nitrogen into the graphite like domains

  5. Modeling amorphization of tetrahedral structures under local approaches

    International Nuclear Information System (INIS)

    Jesurum, C.E.; Pulim, V.; Berger, B.; Hobbs, L.W.

    1997-01-01

    Many crystalline ceramics can be topologically disordered (amorphized) by disordering radiation events involving high-energy collision cascades or (in some cases) successive single-atom displacements. The authors are interested in both the potential for disorder and the possible aperiodic structures adopted following the disordering event. The potential for disordering is related to connectivity, and among those structures of interest are tetrahedral networks (such as SiO 2 , SiC and Si 3 N 4 ) comprising corner-shared tetrahedral units whose connectivities are easily evaluated. In order to study the response of these networks to radiation, the authors have chosen to model their assembly according to the (simple) local rules that each corner obeys in connecting to another tetrahedron; in this way they easily erect large computer models of any crystalline polymorphic form. Amorphous structures can be similarly grown by application of altered rules. They have adopted a simple model of irradiation in which all bonds in the neighborhood of a designated tetrahedron are destroyed, and they reform the bonds in this region according to a set of (possibly different) local rules appropriate to the environmental conditions. When a tetrahedron approaches the boundary of this neighborhood, it undergoes an optimization step in which a spring is inserted between two corners of compatible tetrahedra when they are within a certain distance of one another; component forces are then applied that act to minimize the distance between these corners and minimize the deviation from the rules. The resulting structure is then analyzed for the complete adjacency matrix, irreducible ring statistics, and bond angle distributions

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

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

    Science.gov (United States)

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

    1998-08-01

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

  9. Single walled carbon nanotube network—Tetrahedral amorphous carbon composite film

    Energy Technology Data Exchange (ETDEWEB)

    Iyer, Ajai, E-mail: ajai.iyer@aalto.fi; Liu, Xuwen; Koskinen, Jari [Department of Materials Science and Engineering, School of Chemical Technology, Aalto University, POB 16200, 00076 Espoo (Finland); Kaskela, Antti; Kauppinen, Esko I. [NanoMaterials Group, Department of Applied Physics, School of Science, Aalto University, POB 15100, 00076 Espoo (Finland); Johansson, Leena-Sisko [Department of Forest Products Technology, School of Chemical Technology, Aalto University, POB 16400, 00076 Espoo (Finland)

    2015-06-14

    Single walled carbon nanotube network (SWCNTN) was coated by tetrahedral amorphous carbon (ta-C) using a pulsed Filtered Cathodic Vacuum Arc system to form a SWCNTN—ta-C composite film. The effects of SWCNTN areal coverage density and ta-C coating thickness on the composite film properties were investigated. X-Ray photoelectron spectroscopy measurements prove the presence of high quality sp{sup 3} bonded ta-C coating on the SWCNTN. Raman spectroscopy suggests that the single wall carbon nanotubes (SWCNTs) forming the network survived encapsulation in the ta-C coating. Nano-mechanical testing suggests that the ta-C coated SWCNTN has superior wear performance compared to uncoated SWCNTN.

  10. 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

  11. Ion-Assisted Pulsed Laser Deposition of amorphous tetrahedral-coordinated carbon films

    Science.gov (United States)

    Friedmann, T. A.; Tallant, D. R.; Sullivan, J. P.; Siegal, M. P.; Simpson, R. L.

    1994-04-01

    A parametric study has been performed of amorphous tetrahedral carbon (a-tC) films produced by ion-assisted pulsed laser deposition (IAPLD). The ion voltage, current density, and feed gas composition (nitrogen in argon) have been varied. The resultant films were characterized by thickness, residual stress, Raman spectroscopy, and electrical resistivity. The Raman spectra have been fit to two gaussian peaks, the so called graphitic (G) peak and the disorder (D) peak. It has been found that the magnitude of the D peak and the residual compressive stress are inversely correlated. At low beam voltages and currents, the magnitude of the D peak is low, increasing as the ion beam voltage and current are raised. The ion beam voltage has the most dramatic effect on the magnitude of the D peak. At low voltages (200-500 V) the magnitude of the D peak is greater for ion beams with high percentages of nitrogen possibly indicative of C-N bonding in the films. At higher voltages (500-1500 V) the D peak intensity is less sensitive to the nitrogen content of the beam.

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

    Science.gov (United States)

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

    2018-04-01

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

  13. Nanodiamonds on tetrahedral amorphous carbon significantly enhance dopamine detection and cell viability.

    Science.gov (United States)

    Peltola, Emilia; Wester, Niklas; Holt, Katherine B; Johansson, Leena-Sisko; Koskinen, Jari; Myllymäki, Vesa; Laurila, Tomi

    2017-02-15

    We hypothesize that by using integrated carbon nanostructures on tetrahedral amorphous carbon (ta-C), it is possible to take the performance and characteristics of these bioelectrodes to a completely new level. The integrated carbon electrodes were realized by combining nanodiamonds (NDs) with ta-C thin films coated on Ti-coated Si-substrates. NDs were functionalized with mixture of carboxyl and amine groups ND andante or amine ND amine , carboxyl ND vox or hydroxyl groups ND H and drop-casted or spray-coated onto substrate. By utilizing these novel structures we show that (i) the detection limit for dopamine can be improved by two orders of magnitude [from 10µM to 50nM] in comparison to ta-C thin film electrodes and (ii) the coating method significantly affects electrochemical properties of NDs and (iii) the ND coatings selectively promote cell viability. ND andante and ND H showed most promising electrochemical properties. The viability of human mesenchymal stem cells and osteoblastic SaOS-2 cells was increased on all ND surfaces, whereas the viability of mouse neural stem cells and rat neuroblastic cells was improved on ND andante and ND H and reduced on ND amine and ND vox. The viability of C6 cells remained unchanged, indicating that these surfaces will not cause excess gliosis. In summary, we demonstrated here that by using functionalized NDs on ta-C thin films we can significantly improve sensitivity towards dopamine as well as selectively promote cell viability. Thus, these novel carbon nanostructures provide an interesting concept for development of various in vivo targeted sensor solutions. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Electron transport determines the electrochemical properties of tetrahedral amorphous carbon (ta-C) thin films

    International Nuclear Information System (INIS)

    Palomäki, Tommi; Wester, Niklas; Caro, Miguel A.; Sainio, Sami; Protopopova, Vera; Koskinen, Jari; Laurila, Tomi

    2017-01-01

    Amorphous carbon based electrodes are very promising for electrochemical sensing applications. In order to better understand their structure-function relationship, the effect of film thickness on the electrochemical properties of tetrahedral amorphous carbon (ta-C) electrodes was investigated. ta-C thin films of 7, 15, 30, 50 and 100 nm were characterized in detail with Raman spectroscopy, transmission electron microscopy (TEM), conductive atomic force microscopy (c-AFM), scanning tunneling spectroscopy (STS) and X-ray absorption spectroscopy (XAS) to assess (i) the surface properties of the films, (ii) the effect of film thickness on their structure and electrical properties and (iii) the subsequent correlation with their electrochemistry. The electrochemical properties were investigated by cyclic voltammetry (CV) using two different outer-sphere redox probes, Ru(NH 3 ) 6 3+/2+ and FcMeOH, and by electrochemical impedance spectroscopy (EIS). Computational simulations using density functional theory (DFT) were carried out to rationalize the experimental findings. The characterization results showed that the sp 2 /sp 3 ratio increased with decreasing ta-C film thickness. This correlated with a decrease in mobility gap value and an increase in the average current through the films, which was also consistent with the computational results. XAS indicated that the surface of the ta-C films was always identical and composed of a sp 2 -rich layer. The CV measurements indicated reversible reaction kinetics for both outer-sphere redox probes at 7 and 15 nm ta-C films with a change to quasi-reversible behavior at a thickness of around 30 nm. The charge transfer resistance, obtained from EIS measurements, decreased with decreasing film thickness in accordance with the CV results. Based on the characterization and electrochemical results, we conclude that the reaction kinetics in the case of outer-sphere redox systems is determined mainly by the electron transport through the

  15. Mo-containing tetrahedral amorphous carbon deposited by dual filtered cathodic vacuum arc with selective pulsed bias voltage

    International Nuclear Information System (INIS)

    Pasaja, Nitisak; Sansongsiri, Sakon; Intarasiri, Saweat; Vilaithong, Thiraphat; Anders, Andre

    2007-01-01

    Metal-containing tetrahedral amorphous carbon films were produced by dual filtered cathodic vacuum arc plasma sources operated in sequentially pulsed mode. Negatively pulsed bias was applied to the substrate when carbon plasma was generated, whereas it was absent when the molybdenum plasma was presented. Film thickness was measured after deposition by profilometry. Glass slides with silver pads were used as substrates for the measurement of the sheet resistance. The microstructure and composition of the films were characterized by Raman spectroscopy and Rutherford backscattering, respectively. It was found that the electrical resistivity decreases with an increase of the Mo content, which can be ascribed to an increase of the sp 2 content and an increase of the sp 2 cluster size

  16. Silicon nitride gradient film as the underlayer of ultra-thin tetrahedral amorphous carbon overcoat for magnetic recording slider

    Energy Technology Data Exchange (ETDEWEB)

    Wang Guigen, E-mail: wanggghit@yahoo.com [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Kuang Xuping; Zhang Huayu; Zhu Can [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Han Jiecai [Shenzhen Graduate School, Harbin Institute of Technology, Shenzhen 518055 (China); Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Zuo Hongbo [Center for Composite Materials, Harbin Institute of Technology, Harbin 150080 (China); Ma Hongtao [SAE Technologies Development (Dongguan) Co., Ltd., Dongguan 523087 (China)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. Black-Right-Pointing-Pointer It highlighted the influences of Si-N underlayers. Black-Right-Pointing-Pointer The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of -150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of -150 V, can provide better corrosion protection for high-density magnetic recording sliders.

  17. Silicon nitride gradient film as the underlayer of ultra-thin tetrahedral amorphous carbon overcoat for magnetic recording slider

    International Nuclear Information System (INIS)

    Wang Guigen; Kuang Xuping; Zhang Huayu; Zhu Can; Han Jiecai; Zuo Hongbo; Ma Hongtao

    2011-01-01

    Highlights: ► The ultra-thin carbon films with different silicon nitride (Si-N) film underlayers were prepared. ► It highlighted the influences of Si-N underlayers. ► The carbon films with Si-N underlayers obtained by nitriding especially at the substrate bias of −150 V, can exhibit better corrosion protection properties - Abstract: There are higher technical requirements for protection overcoat of magnetic recording slider used in high-density storage fields for the future. In this study, silicon nitride (Si-N) composition-gradient films were firstly prepared by nitriding of silicon thin films pre-sputtered on silicon wafers and magnetic recording sliders, using microwave electron cyclotron resonance plasma source. The ultra-thin tetrahedral amorphous carbon films were then deposited on the Si-N films by filtered cathodic vacuum arc method. Compared with amorphous carbon overcoats with conventional silicon underlayers, the overcoats with Si-N underlayers obtained by plasma nitriding especially at the substrate bias of −150 V, can provide better corrosion protection for high-density magnetic recording sliders.

  18. Conductivity enhancement of ion tracks in tetrahedral amorphous carbon by doping with N, B, Cu and Fe

    International Nuclear Information System (INIS)

    Krauser, J.; Nix, A.-K.; Gehrke, H.-G.; Hofsäss, H.; Trautmann, C.; Weidinger, A.

    2012-01-01

    Conducting ion tracks are formed when high-energy heavy ions (e.g. 1 GeV Au) pass through tetrahedral amorphous carbon (ta-C). These nanowires with a diameter of about 8 nm are embedded in the insulating ta-C matrix and of interest for various nanotechnological applications. Usually the overall conductivity of the tracks and the current/voltage characteristics (Ohmic or non-Ohmic) vary strongly from track to track, even when measured on the same sample, indicating that the track formation is neither complete nor homogeneous. To improve the track conductivity, doping of ta-C with N, B, Cu, or Fe is investigated. Beneficial changes in track conductivity after doping compete with a conductivity increase of the surrounding matrix material. Best results are achieved by incorporation of 1 at.% Cu, while for different reasons, the improvement of the tracks remains moderate for N, B, and Fe doping. Conductivity enhancement of the tracks is assumed to develop during the ion track formation process by an increased number of localized states which contribute to the current transport.

  19. Effect of nanoparticles as lubricant additives on friction and wear behavior of tetrahedral amorphous carbon (ta-C coating

    Directory of Open Access Journals (Sweden)

    Xiang Li

    2018-03-01

    Full Text Available As diamond like carbon (DLC coating becomes increasingly popular in providing low friction and wear under lubricated conditions, the effect of various oil additives on tribological behavior of DLC coating is drawing more attention. Various oil additives, such as ZnDTP and MoDTC, have been widely used in automobile engine industry to pursuit excellent tribological performance in the insufficient lubrication condition. Although such commercial oil additives have been proven to reduce friction or/and wear to some extent, usage of such high -SAPS (sulphuric ash, phosphor, sulfphur conventional additives is bound to arouse concerns due to environmental reasons. In this research, we investigate the effect of two nanoparticle oil additives, which are cerium oxide (CeO2 and zirconium dioxide (ZrO2, on friction and wear of non-hydrogen tetrahedral amorphous carbon (ta-C coating. The results show that by adding ZrO2 nanoparticle, the friction of DLC coating could be reduced about 32% compared to non-additive base oil scenario, but specific wear rate increases by 40%. When CeO2 nanoparticle is used, friction increases by 22% compared to non-additive base oil scenario, however wear decreases by nearly 77%.

  20. Methods of quantum chemistry and nanotechnology as applied to the study of the energy states of amorphous tetrahedral structures

    Directory of Open Access Journals (Sweden)

    B. A. Golodenko

    2013-01-01

    Full Text Available The technique and results of an experimental research of power conditions of amorphous alloy hydrogenated carbide silicon is described. Application of power spectra of a silicon valence zone for definition phase structure of its amorphous hydrogenated carbide is shown. Quantitative dependence of a share carbide phases of silicon in structure of its alloy from the maintenance of methane in an initial gas mix is established.

  1. Effect of mating materials on wear properties of amorphous hydrogenated carbon (a-C:H coating and tetrahedral amorphous carbon (ta-C coating in base oil boundary lubrication condition

    Directory of Open Access Journals (Sweden)

    Xiang Li

    2017-12-01

    Full Text Available In this study, wear behavior of amorphous hydrogenated carbon (a-C:H coating and tetrahedral amorphous carbon (ta-C coating when sliding against various mating materials in base oil boundary lubrication condition is comparatively investigated to find out the optimal combinations of DLC/mating material and corresponding wear mechanism of both DLC coating. Tribological tests were performed in a cylinder-on-disc tribometer, Field Emission Scanning Electron Microscopy, Raman spectroscopy is used for characterization of ta-C and a-C:H worn surface. The results show that the specific wear rate of ta-C coating increases along with the hardness and roughness of mating material increases, while the specific wear rate of a-C:H coating increases together with an increment in the ID/IG ratio. It is concluded that for ta-C coating, local stress concentration-induced microfracture is the main wear mechanism in relative high wear scenario, along with minor graphitization-induced wear which prevails in low wear scenario. On the other hand, a-C:H coating showed that simultaneous generation and removal of the graphitized layer on the contact surface is the predominant wear mechanism.

  2. Tetrahedrality and hydrogen bonds in water

    Science.gov (United States)

    Székely, Eszter; Varga, Imre K.; Baranyai, András

    2016-06-01

    We carried out extensive calculations of liquid water at different temperatures and pressures using the BK3 model suggested recently [P. T. Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)]. In particular, we were interested in undercooled regions to observe the propensity of water to form tetrahedral coordination of closest neighbors around a central molecule. We compared the found tetrahedral order with the number of hydrogen bonds and with the partial pair correlation functions unfolded as distributions of the closest, the second closest, etc. neighbors. We found that contrary to the number of hydrogen bonds, tetrahedrality changes substantially with state variables. Not only the number of tetrahedral arrangements increases with lowering the pressure, the density, and the temperature but the domain size of connecting tetrahedral structures as well. The difference in tetrahedrality is very pronounced between the two sides of the Widom line and even more so between the low density amorphous (LDA) and high density amorphous (HDA) phases. We observed that in liquid water and in HDA, the 5th water molecule, contrary to ice and LDA, is positioned between the first and the second coordination shell. We found no convincing evidence of structural heterogeneity or regions referring to structural transition.

  3. Nitrogen incorporation in sputter deposited molybdenum nitride thin films

    Energy Technology Data Exchange (ETDEWEB)

    Stöber, Laura, E-mail: laura.stoeber@tuwien.ac.at; Patocka, Florian, E-mail: florian.patocka@tuwien.ac.at; Schneider, Michael, E-mail: michael.schneider@tuwien.ac.at; Schmid, Ulrich, E-mail: ulrich.e366.schmid@tuwien.ac.at [Institute of Sensor and Actuator Systems, TU Wien, Gußhausstraße 27-29, A-1040 Vienna (Austria); Konrath, Jens Peter, E-mail: jenspeter.konrath@infineon.com; Haberl, Verena, E-mail: verena.haberl@infineon.com [Infineon Technologies Austria AG, Siemensstraße 2, 9500 Villach (Austria)

    2016-03-15

    In this paper, the authors report on the high temperature performance of sputter deposited molybdenum (Mo) and molybdenum nitride (Mo{sub 2}N) thin films. Various argon and nitrogen gas compositions are applied for thin film synthetization, and the amount of nitrogen incorporation is determined by Auger measurements. Furthermore, effusion measurements identifying the binding conditions of the nitrogen in the thin film are performed up to 1000 °C. These results are in excellent agreement with film stress and scanning electron microscope analyses, both indicating stable film properties up to annealing temperatures of 500 °C.

  4. Tribological properties of amorphous hydrogenated (a-C:H) and hydrogen-free tetrahedral (ta-C) diamond-like carbon coatings under jatropha biodegradable lubricating oil at different temperatures

    Science.gov (United States)

    Mobarak, H. M.; Masjuki, H. H.; Mohamad, E. Niza; Kalam, M. A.; Rashedul, H. K.; Rashed, M. M.; Habibullah, M.

    2014-10-01

    The application of diamond-like carbon (DLC) coatings on automotive components is emerging as a favorable strategy to address the recent challenges in the industry. DLC coatings can effectively lower the coefficient of friction (CoF) and wear rate of engine components, thereby improving their fuel efficiency and durability. The lubrication of ferrous materials can be enhanced by a large amount of unsaturated and polar components of oils. Therefore, the interaction between nonferrous coatings (e.g., DLC) and vegetable oil should be investigated. A ball-on-plate tribotester was used to run the experiments. Stainless steel plates coated with amorphous hydrogenated (a-C:H) DLC and hydrogen-free tetrahedral (ta-C) DLC that slide against 440C stainless steel ball were used to create a ball-on-plate tribotester. The wear track was investigated through scanning electron microscopy. Energy dispersive and X-ray photoelectron spectroscopies were used to analyze the tribofilm inside the wear track. Raman analysis was performed to investigate the structural changes in the coatings. At high temperatures, the CoF in both coatings decreased. The wear rate, however, increased in the a-C:H but decreased in the ta-C DLC-coated plates. The CoF and the wear rate (coated layer and counter surface) were primarily influenced by the graphitization of the coating. Tribochemical films, such as polyphosphate glass, were formed in ta-C and acted as protective layers. Therefore, the wear rate of the ta-C DLC was lower than that of the-C:H DLC.

  5. Band gap engineering of indium zinc oxide by nitrogen incorporation

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, J.J., E-mail: jjosila@hotmail.com [Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esq. Paseo la Bufa, Fracc. Progreso, C.P. 98060 Zacatecas (Mexico); Doctorado Institucional de Ingeniería y Ciencia de Materiales, Universidad Autónoma de San Luis Potosí, Av. Salvador Nava, Zona Universitaria, C.P. 78270 San Luis Potosí (Mexico); Aguilar-Frutis, M.A.; Alarcón, G. [Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada del Instituto Politécnico Nacional, Unidad Legaría, Calz. Legaría No. 694, Col. Irrigación, C.P. 11500 México D.F. (Mexico); Falcony, C. [Departamento de Física, Centro de Investigación y Estudios Avanzados del Instituto Politécnico Nacional campus Zacatenco, Av. Instituto Politécnico Nacional 2508, Col. San Pedro Zacatenco, C.P. 07360 México D.F. (Mexico); and others

    2014-09-15

    Highlights: • IZON thin films were deposited by RF reactive sputtering at room temperature. • The effects of nitrogen on physical properties of IZO were analyzed. • Optical properties of IZON were studied by SE and UV–vis spectroscopy. • Adachi and classical parameters were quantitative and qualitatively congruent. • Nitrogen induces a gradual narrowing band gap from 3.5 to 2.5 eV on IZON films. - Abstract: The effects of nitrogen incorporation in indium zinc oxide films, as grown by RF reactive magnetron sputtering, on the structural, electrical and optical properties were studied. It was determined that the variation of the N{sub 2}/Ar ratio, in the reactive gas flux, was directly proportional to the nitrogen percentage measured in the sample, and the incorporated nitrogen, which substituted oxygen in the films induces changes in the band gap of the films. This phenomenon was observed by measurement of absorption and transmission spectroscopy in conjunction with spectral ellipsometry. To fit the ellipsometry spectra, the classical and Adachi dispersion models were used. The obtained optical parameters presented notable changes related to the increment of the nitrogen in the film. The band gap narrowed from 3.5 to 2.5 eV as the N{sub 2}/Ar ratio was increased. The lowest resistivity obtained for these films was 3.8 × 10{sup −4} Ω cm with a carrier concentration of 5.1 × 10{sup 20} cm{sup −3}.

  6. Band gap engineering of indium zinc oxide by nitrogen incorporation

    International Nuclear Information System (INIS)

    Ortega, J.J.; Aguilar-Frutis, M.A.; Alarcón, G.; Falcony, C.

    2014-01-01

    Highlights: • IZON thin films were deposited by RF reactive sputtering at room temperature. • The effects of nitrogen on physical properties of IZO were analyzed. • Optical properties of IZON were studied by SE and UV–vis spectroscopy. • Adachi and classical parameters were quantitative and qualitatively congruent. • Nitrogen induces a gradual narrowing band gap from 3.5 to 2.5 eV on IZON films. - Abstract: The effects of nitrogen incorporation in indium zinc oxide films, as grown by RF reactive magnetron sputtering, on the structural, electrical and optical properties were studied. It was determined that the variation of the N 2 /Ar ratio, in the reactive gas flux, was directly proportional to the nitrogen percentage measured in the sample, and the incorporated nitrogen, which substituted oxygen in the films induces changes in the band gap of the films. This phenomenon was observed by measurement of absorption and transmission spectroscopy in conjunction with spectral ellipsometry. To fit the ellipsometry spectra, the classical and Adachi dispersion models were used. The obtained optical parameters presented notable changes related to the increment of the nitrogen in the film. The band gap narrowed from 3.5 to 2.5 eV as the N 2 /Ar ratio was increased. The lowest resistivity obtained for these films was 3.8 × 10 −4 Ω cm with a carrier concentration of 5.1 × 10 20 cm −3

  7. Tribological properties of amorphous hydrogenated (a-C:H) and hydrogen-free tetrahedral (ta-C) diamond-like carbon coatings under jatropha biodegradable lubricating oil at different temperatures

    International Nuclear Information System (INIS)

    Mobarak, H.M.; Masjuki, H.H.; Mohamad, E. Niza; Kalam, M.A.; Rashedul, H.K.; Rashed, M.M.; Habibullah, M.

    2014-01-01

    Highlights: • We tested a-C:H and ta-C DLC coatings as a function of temperature. • Jatropha oil contains large amounts of polar components that enhanced the lubricity of coatings. • CoF decreases with increasing temperature for both contacts. • Wear rate increases with increasing temperature in a-C:H and decreases in ta-C DLC. • At high temperature, ta-C coatings confer more protection than a-C:H coatings. - Abstract: The application of diamond-like carbon (DLC) coatings on automotive components is emerging as a favorable strategy to address the recent challenges in the industry. DLC coatings can effectively lower the coefficient of friction (CoF) and wear rate of engine components, thereby improving their fuel efficiency and durability. The lubrication of ferrous materials can be enhanced by a large amount of unsaturated and polar components of oils. Therefore, the interaction between nonferrous coatings (e.g., DLC) and vegetable oil should be investigated. A ball-on-plate tribotester was used to run the experiments. Stainless steel plates coated with amorphous hydrogenated (a-C:H) DLC and hydrogen-free tetrahedral (ta-C) DLC that slide against 440C stainless steel ball were used to create a ball-on-plate tribotester. The wear track was investigated through scanning electron microscopy. Energy dispersive and X-ray photoelectron spectroscopies were used to analyze the tribofilm inside the wear track. Raman analysis was performed to investigate the structural changes in the coatings. At high temperatures, the CoF in both coatings decreased. The wear rate, however, increased in the a-C:H but decreased in the ta-C DLC-coated plates. The CoF and the wear rate (coated layer and counter surface) were primarily influenced by the graphitization of the coating. Tribochemical films, such as polyphosphate glass, were formed in ta-C and acted as protective layers. Therefore, the wear rate of the ta-C DLC was lower than that of the-C:H DLC

  8. Tribological properties of amorphous hydrogenated (a-C:H) and hydrogen-free tetrahedral (ta-C) diamond-like carbon coatings under jatropha biodegradable lubricating oil at different temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Mobarak, H.M., E-mail: mobarak.ho31@yahoo.com; Masjuki, H.H.; Mohamad, E. Niza, E-mail: edzrol@um.edu.my; Kalam, M.A.; Rashedul, H.K.; Rashed, M.M.; Habibullah, M.

    2014-10-30

    Highlights: • We tested a-C:H and ta-C DLC coatings as a function of temperature. • Jatropha oil contains large amounts of polar components that enhanced the lubricity of coatings. • CoF decreases with increasing temperature for both contacts. • Wear rate increases with increasing temperature in a-C:H and decreases in ta-C DLC. • At high temperature, ta-C coatings confer more protection than a-C:H coatings. - Abstract: The application of diamond-like carbon (DLC) coatings on automotive components is emerging as a favorable strategy to address the recent challenges in the industry. DLC coatings can effectively lower the coefficient of friction (CoF) and wear rate of engine components, thereby improving their fuel efficiency and durability. The lubrication of ferrous materials can be enhanced by a large amount of unsaturated and polar components of oils. Therefore, the interaction between nonferrous coatings (e.g., DLC) and vegetable oil should be investigated. A ball-on-plate tribotester was used to run the experiments. Stainless steel plates coated with amorphous hydrogenated (a-C:H) DLC and hydrogen-free tetrahedral (ta-C) DLC that slide against 440C stainless steel ball were used to create a ball-on-plate tribotester. The wear track was investigated through scanning electron microscopy. Energy dispersive and X-ray photoelectron spectroscopies were used to analyze the tribofilm inside the wear track. Raman analysis was performed to investigate the structural changes in the coatings. At high temperatures, the CoF in both coatings decreased. The wear rate, however, increased in the a-C:H but decreased in the ta-C DLC-coated plates. The CoF and the wear rate (coated layer and counter surface) were primarily influenced by the graphitization of the coating. Tribochemical films, such as polyphosphate glass, were formed in ta-C and acted as protective layers. Therefore, the wear rate of the ta-C DLC was lower than that of the-C:H DLC.

  9. Tetrahedral hohlraums at omega

    International Nuclear Information System (INIS)

    Kyrala, G.A.; Goldman, S.R.; Batha, S.H.; Wallace, J.M.; Klare, K.A.; Schappert, G.T.; Oertel, J.; Turner, R.E.

    2000-01-01

    We have initiated a study of the usefulness of tetrahedrally illuminated spherical hohlraums, using the Omega laser beams, to drive planar shocks in packages that require indirect drive. A first suite of experiments used spherical hohlraums with a 2-μm thick gold wall surrounded by a 100-μm thick epoxy layer and had an internal diameter of 2.8 mm. Four laser entrance holes each of diameter 700 μm, located on the tips of a regular tetrahedron were used. The shock velocities and the shock uniformities were measured using optical shock break out techniques. The hohlraum x-ray radiation spectrum was also measured using a 10-channel x-ray detector. Tentatively, peak temperatures approaching 195 eV were achieved and shock speeds of 60 μm/ns were measured, when the hohlraum was driven by 22 kJ of 3 ω radiation. (authors)

  10. Effect of nitrogen incorporation on the structural, optical and dielectric properties of reactive sputter grown ITO films

    Energy Technology Data Exchange (ETDEWEB)

    Gartner, M.; Stroescu, H. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Marin, A., E-mail: alexmarin@icf.ro [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Osiceanu, P. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Anastasescu, M., E-mail: manastasescu@icf.ro [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Stoica, M.; Nicolescu, M.; Duta, M.; Preda, S. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania); Aperathitis, E.; Pantazis, A.; Kampylafka, V. [FORTH-IESL, Crete (Greece); Modreanu, M. [Tyndall National Institute, University College Cork, Cork (Ireland); Zaharescu, M. [Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy, 202 Splaiul Independentei, 060021 Bucharest (Romania)

    2014-09-15

    Highlights: • Graded optical model for ITON films is presented. • ITON thin films retain an amorphous structure even after RTA at 500 °C in N{sub 2} ambient. • The lowest resistivity was 2 × 10{sup −3} Ω cm for films deposited in 75%N{sub 2} and RTA at 500 °C. • Films deposited in 75% N{sub 2} and RTA at 500 °C have degenerate semiconductor behavior. • Chemical composition before and after RTA has been analyzed by XPS depth profiling. - Abstract: The changes in the optical, microstructural and electrical properties, following the nitrogen incorporation into indium tin oxide thin films are investigated. The films are formed by r.f. sputtering from an indium-tin-oxide (80% In{sub 2}O{sub 3}–20% SnO{sub 2}) target in a mixture of Ar and N{sub 2} plasma (75% N{sub 2}–25% Ar and 100% N{sub 2} respectively) on fused silica glass substrate. The impact of rapid thermal annealing (up to 500 °C, in N{sub 2} ambient) on the properties of indium tin oxynitride (ITON) thin films is also reported. The UV–vis–NIR ellipsometry (SE) characterization of ITON films was performed assuming several realistic approaches based on various oscillator models, using a chemical composition gradient depth profiling, in agreement with the X-ray photoelectron spectroscopy measurements. The Hall measurements show that the ITON films prepared by r.f. sputtering in 75% N{sub 2} and annealed at 500 °C behave as degenerate semiconductors. X-ray diffraction analysis proved that ITON thin films retain an amorphous structure even after RTA at 500 °C in N{sub 2} ambient and atomic force microscopy showed the formation of continuous and smooth ITON thin films, with a morphology consisting in quasispherical nanometric particles.

  11. Polyamorphism in tetrahedral substances: Similarities between silicon and ice

    Science.gov (United States)

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

    2015-07-01

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

  12. Streaming simplification of tetrahedral meshes.

    Science.gov (United States)

    Vo, Huy T; Callahan, Steven P; Lindstrom, Peter; Pascucci, Valerio; Silva, Cláudio T

    2007-01-01

    Unstructured tetrahedral meshes are commonly used in scientific computing to represent scalar, vector, and tensor fields in three dimensions. Visualization of these meshes can be difficult to perform interactively due to their size and complexity. By reducing the size of the data, we can accomplish real-time visualization necessary for scientific analysis. We propose a two-step approach for streaming simplification of large tetrahedral meshes. Our algorithm arranges the data on disk in a streaming, I/O-efficient format that allows coherent access to the tetrahedral cells. A quadric-based simplification is sequentially performed on small portions of the mesh in-core. Our output is a coherent streaming mesh which facilitates future processing. Our technique is fast, produces high quality approximations, and operates out-of-core to process meshes too large for main memory.

  13. Video Vectorization via Tetrahedral Remeshing.

    Science.gov (United States)

    Wang, Chuan; Zhu, Jie; Guo, Yanwen; Wang, Wenping

    2017-02-09

    We present a video vectorization method that generates a video in vector representation from an input video in raster representation. A vector-based video representation offers the benefits of vector graphics, such as compactness and scalability. The vector video we generate is represented by a simplified tetrahedral control mesh over the spatial-temporal video volume, with color attributes defined at the mesh vertices. We present novel techniques for simplification and subdivision of a tetrahedral mesh to achieve high simplification ratio while preserving features and ensuring color fidelity. From an input raster video, our method is capable of generating a compact video in vector representation that allows a faithful reconstruction with low reconstruction errors.

  14. Vibrational Spectra of Tetrahedral Fullerenes.

    Science.gov (United States)

    Cheng; Li; Tang

    1999-01-01

    From the topological structures of the following classes of tetrahedral fullerenes-(1) Cn(h, h; -i, i), Cn(h, 0; -i, 2i), Cn(2h + i, -h + i; i, i), Cn(h - i, h + 2i; -i, 2i), and Cn(h, i; 0, i) for Td symmetry; (2) Cn(h, k; k, h), Cn(h, k; -h - k, k), and Cn(h, k; -h, h + k) for Th symmetry; (3) Cn(h, k; i, j) for T symmetry-we have obtained theoretically the formulas for the numbers of their IR and Raman active modes for all of the tetrahedral fullerenes through the decomposition of their nuclear motions into irreducible representations by means of group theory. Copyright 1999 Academic Press.

  15. Tetrahedral ↔ octahedral network structure transition in simulated vitreous SiO2

    International Nuclear Information System (INIS)

    Vo Van Hoang; Nguyen Trung Hai; Hoang Zung

    2006-01-01

    By using molecular dynamics (MD) simulations we found a transition from a tetrahedral to an octahedral network structure in an amorphous SiO 2 model under compression from 2.20 to 5.35 g/cm 3 . And on heating of a high density amorphous (hda) model of 5.35 g/cm 3 at zero pressure, the structure transforms to a low density amorphous (lda) form. Simulations were done in a model containing 3000 particles under periodic boundary conditions with interatomic potentials which have a weak Coulomb interaction and a Morse type short-range interaction

  16. Electronic structure of filled tetrahedral semiconductors

    NARCIS (Netherlands)

    Wood, D.M.; Zunger, Alex; Groot, R. de

    1985-01-01

    We discuss the susceptibility of zinc-blende semiconductors to band-structure modification by insertion of small atoms at their tetrahedral interstitial states. GaP is found to become a direct-gap semiconductor with two He atoms present at its interstitial sites; Si does not. Analysis of the factors

  17. Atomic Nuclei with Tetrahedral and Octahedral Symmetries

    International Nuclear Information System (INIS)

    Dudek, J.; Gozdz, A.; Schunck, N.

    2003-01-01

    We present possible manifestations of octahedral and tetrahedral symmetries in nuclei. These symmetries are associated with the O D h and T D d double point groups. Both of them have very characteristic finger-prints in terms of the nucleonic level properties - unique in the Fermionic universe. The tetrahedral symmetry leads to the four-fold degeneracies in the nucleonic spectra; it does not preserve the parity. The octahedral symmetry leads to the four-fold degeneracies in the nucleonic spectra as well but it does preserve the parity. Microscopic predictions have been obtained using mean-field theory based on the relativistic equations and confirmed by using ''traditional'' Schrodinger equation formalism. Calculations are performed in multidimensional deformation spaces using newly designed algorithms. We discuss some experimental fingerprints of the hypothetical new symmetries and possibilities of their verification through experiments. (author)

  18. Effects of nitrogen incorporation in HfO(2) grown on InP by atomic layer deposition: an evolution in structural, chemical, and electrical characteristics.

    Science.gov (United States)

    Kang, Yu-Seon; Kim, Dae-Kyoung; Kang, Hang-Kyu; Jeong, Kwang-Sik; Cho, Mann-Ho; Ko, Dae-Hong; Kim, Hyoungsub; Seo, Jung-Hye; Kim, Dong-Chan

    2014-03-26

    We investigated the effects of postnitridation on the structural characteristics and interfacial reactions of HfO2 thin films grown on InP by atomic layer deposition (ALD) as a function of film thickness. By postdeposition annealing under NH3 vapor (PDN) at 600 °C, an InN layer formed at the HfO2/InP interface, and ionized NHx was incorporated in the HfO2 film. We demonstrate that structural changes resulting from nitridation of HfO2/InP depend on the film thickness (i.e., a single-crystal interfacial layer of h-InN formed at thin (2 nm) HfO2/InP interfaces, whereas an amorphous InN layer formed at thick (>6 nm) HfO2/InP interfaces). Consequently, the tetragonal structure of HfO2 transformed into a mixture structure of tetragonal and monoclinic because the interfacial InN layer relieved interfacial strain between HfO2 and InP. During postdeposition annealing (PDA) in HfO2/InP at 600 °C, large numbers of oxidation states were generated as a result of interfacial reactions between interdiffused oxygen impurities and out-diffused InP substrate elements. However, in the case of the PDN of HfO2/InP structures at 600 °C, nitrogen incorporation in the HfO2 film effectively blocked the out-diffusion of atomic In and P, thus suppressing the formation of oxidation states. Accordingly, the number of interfacial defect states (Dit) within the band gap of InP was significantly reduced, which was also supported by DFT calculations. Interfacial InN in HfO2/InP increased the electron-barrier height to ∼0.6 eV, which led to low-leakage-current density in the gate voltage region over 2 V.

  19. ALGORITHMS FOR TETRAHEDRAL NETWORK (TEN) GENERATION

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The Tetrahedral Network(TEN) is a powerful 3-D vector structure in GIS, which has a lot of advantages such as simple structure, fast topological relation processing and rapid visualization. The difficulty of TEN application is automatic creating data structure. Al though a raster algorithm has been introduced by some authors, the problems in accuracy, memory requirement, speed and integrity are still existent. In this paper, the raster algorithm is completed and a vector algorithm is presented after a 3-D data model and structure of TEN have been introducted. Finally, experiment, conclusion and future work are discussed.

  20. Nitrogen incorporation and retention by bacteria, algae, and fauna in a subtropical, intertidal sediment: An in situ 15N-labeling study

    NARCIS (Netherlands)

    Veuger, B.; Eyre, B.D.; Maher, D.; Middelburg, J.J.

    2007-01-01

    We performed a 15N-labeling study to investigate nitrogen incorporation and retention by the benthic microbial community (bacteria and benthic microalgae) and fauna in the intertidal sediment of the subtropical Australian Brunswick Estuary. The main experiment involved an in situ 15N pulse–chase

  1. Effect of ultraviolet light irradiation on amorphous carbon nitride films

    International Nuclear Information System (INIS)

    Zhang, M.; Nakayama, Y.

    1997-01-01

    The amorphous carbon nitride films were produced using electron cyclotron resonance nitrogen plasma with various mixtures of N 2 and CH 4 gases. The dependence of film structures on the nitrogen incorporation and the structural modifications of the film due to ultraviolet (UV) light irradiation were investigated using infrared and UV-VIS spectroscopy. It is found that UV irradiation results in the decrease of CH bonding, increase of CC and CN double bonding in the film and increase of the optical band gap of the film. It appears that both bond removal and reordering have taken place as a result of UV irradiation. The structural modifications due to nitrogen incorporation and UV light irradiation are explained by a cluster model. copyright 1997 American Institute of Physics

  2. Nitrogen incorporated ultrananocrystalline diamond based field emitter array for a flat-panel x-ray source

    International Nuclear Information System (INIS)

    Posada, Chrystian M.; Grant, Edwin J.; Lee, Hyoung K.; Castaño, Carlos H.; Divan, Ralu; Sumant, Anirudha V.; Rosenmann, Daniel; Stan, Liliana

    2014-01-01

    A field emission based flat-panel transmission x-ray source is being developed as an alternative for medical and industrial imaging. A field emitter array (FEA) prototype based on nitrogen incorporated ultrananocrystalline diamond film has been fabricated to be used as the electron source of this flat panel x-ray source. The FEA prototype was developed using conventional microfabrication techniques. The field emission characteristics of the FEA prototype were evaluated. Results indicated that emission current densities of the order of 6 mA/cm 2 could be obtained at electric fields as low as 10 V/μm to 20 V/μm. During the prototype microfabrication process, issues such as delamination of the extraction gate and poor etching of the SiO 2 insulating layer located between the emitters and the extraction layer were encountered. Consequently, alternative FEA designs were investigated. Experimental and simulation data from the first FEA prototype were compared and the results were used to evaluate the performance of alternative single and double gate designs that would yield better field emission characteristics compared to the first FEA prototype. The best simulation results are obtained for the double gate FEA design, when the diameter of the collimator gate is around 2.6 times the diameter of the extraction gate

  3. A high performance non-enzymatic glucose sensor based on nickel hydroxide modified nitrogen-incorporated nanodiamonds.

    Science.gov (United States)

    Ko, Chih-Yu; Huang, Jin-Hua; Raina, Supil; Kang, Weng P

    2013-06-07

    A highly selective, sensitive, and stable non-enzymatic glucose sensor based on Ni hydroxide modified nitrogen-incorporated nanodiamonds (Ni(OH)2-NND) was developed. The sensor was fabricated by e-beam evaporation of a thin Ni film on NND followed by the growth of Ni(OH)2 using an electrochemical process. It was found that the Ni film thickness greatly affects the morphology and electro-catalytic activity of the as-synthesized electrode for non-enzymatic glucose oxidation. Owing to its nanostructure characteristics, the best sensor fabricated by 150 nm Ni deposition showed two wide response ranges, namely, 0.02-1 mM and 1-9 mM, with sensitivities of 3.20 and 1.41 mA mM(-1) cm(-2), respectively, and a detection limit of 1.2 μM (S/N = 3). The sensor also showed good long-term stability as well as high selectivity in the presence of interferences such as ascorbic acid, acetaminophen, and uric acid. This finding reveals the possibility of exploiting the NND as an electrochemical biosensor platform where high performance addressable sensor arrays could be built.

  4. Feature-Sensitive Tetrahedral Mesh Generation with Guaranteed Quality

    OpenAIRE

    Wang, Jun; Yu, Zeyun

    2012-01-01

    Tetrahedral meshes are being extensively used in finite element methods (FEM). This paper proposes an algorithm to generate feature-sensitive and high-quality tetrahedral meshes from an arbitrary surface mesh model. A top-down octree subdivision is conducted on the surface mesh and a set of tetrahedra are constructed using adaptive body-centered cubic (BCC) lattices. Special treatments are given to the tetrahedra near the surface such that the quality of the resulting tetrahedral mesh is prov...

  5. Oxygen reduction reaction properties of nitrogen-incorporated nanographenes synthesized using in-liquid plasma from mixture of ethanol and iron phthalocyanine

    Science.gov (United States)

    Amano, Tomoki; Kondo, Hiroki; Takeda, Keigo; Ishikawa, Kenji; Hiramatsu, Mineo; Sekine, Makoto; Hori, Masaru

    2018-04-01

    Nanographenes were synthesized using in-liquid plasma from a mixture of iron phthalocyanine and ethanol. In a previous study, micrometer-scale flakes with nitrogen incorporation were obtained. A nonprecious metal catalytic activity was observed with 3.13 electrons in an oxygen reduction reaction under an acidic solute condition. Large-surface-area, high-graphene-crystallinity, and iron-carbon-bonding sites were found owing to a high catalytic activity in Fe-N/nanographene.

  6. A possible mechanism of ultrafast amorphization in phase-change memory alloys: an ion slingshot from the crystalline to amorphous position

    International Nuclear Information System (INIS)

    Kolobov, A V; Mishchenko, A S; Fons, P; Yakubenya, S M; Tominaga, J

    2007-01-01

    We propose that the driving force of the ultrafast crystalline-to-amorphous transition in phase-change memory alloys is caused by strained bonds existing in the (metastable) crystalline phase. For the prototypical example of Ge 2 Sb 2 Te 5 , we demonstrate that upon breaking of the longer Ge-Te bond by photoexcitation, a Ge ion is shot from an octahedral crystalline to a tetrahedral amorphous position by the uncompensated force of strained short bonds. Subsequent lattice relaxation stabilizes the tetrahedral surroundings of the Ge atoms and ensures the long-term stability of the optically induced phase

  7. 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...

  8. Nitrided FeB amorphous thin films for magneto mechanical systems

    International Nuclear Information System (INIS)

    Fernandez-Martinez, I.; Martin-Gonzalez, M.S.; Gonzalez-Arrabal, R.; Alvarez-Sanchez, R.; Briones, F.; Costa-Kraemer, J.L.

    2008-01-01

    The structural, magnetic and magnetoelastic properties of Fe-B-N amorphous films, sputtered from a Fe 80 B 20 target, in a mixture of argon and nitrogen gas, are studied for different nitrogen partial pressures. Nitrogen incorporates into the film preserving the amorphous structure, and modifying magnetic properties. The amount of nitrogen that incorporates into the amorphous structure is found to scale linearly with the nitrogen partial pressure during film growth. The structure, magnetization, field evolution, magnetic anisotropy and magnetostrictive behaviour are determined for films with different nitrogen content. An ∼20% increase of both the saturation magnetization and the magnetostriction constant values is found for moderate (∼8%) nitrogen content when compared to those for pure Fe 80 B 20 amorphous films. These improved properties, together with the still low coercivity of the amorphous films offer great potential for their use in magnetostrictive micro and nano magneto mechanical actuator devices

  9. Amorphous superconductors

    International Nuclear Information System (INIS)

    Missell, F.P.

    1985-01-01

    We describe briefly the strong coupling superconductivity observed in amorphous alloys based upon simple metals. For transition metal alloys we discuss the behavior of the superconducting transition temperature T c , the upper critical field H (sub)c2 and the critical current J c . A survey of current problems is presented. (author) [pt

  10. A geometric toolbox for tetrahedral finite element partitions

    NARCIS (Netherlands)

    Brandts, J.; Korotov, S.; Křížek, M.; Axelsson, O.; Karátson, J.

    2011-01-01

    In this work we present a survey of some geometric results on tetrahedral partitions and their refinements in a unified manner. They can be used for mesh generation and adaptivity in practical calculations by the finite element method (FEM), and also in theoretical finite element (FE) analysis.

  11. Tetrahedral meshing via maximal Poisson-disk sampling

    KAUST Repository

    Guo, Jianwei; Yan, Dongming; Chen, Li; Zhang, Xiaopeng; Deussen, Oliver; Wonka, Peter

    2016-01-01

    -distributed point sets in arbitrary domains. We first perform MPS on the boundary of the input domain, we then sample the interior of the domain, and we finally extract the tetrahedral mesh from the samples by using 3D Delaunay or regular triangulation for uniform

  12. Inverse simulated annealing: Improvements and application to amorphous InSb

    OpenAIRE

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

    2014-01-01

    An improved inverse simulated annealing method is presented to determine the structure of complex disordered systems from first principles in agreement with available experimental data or desired predetermined target properties. The effectiveness of this method is demonstrated by revisiting the structure of amorphous InSb. The resulting network is mostly tetrahedral and in excellent agreement with available experimental data.

  13. Pressure-induced transformations in amorphous silicon: A computational study

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-02-14

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

  14. Pressure-induced transformations in amorphous silicon: A computational study

    Science.gov (United States)

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

    2014-02-01

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

  15. Radiation amorphization of materials

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  16. Tetrahedral meshing via maximal Poisson-disk sampling

    KAUST Repository

    Guo, Jianwei

    2016-02-15

    In this paper, we propose a simple yet effective method to generate 3D-conforming tetrahedral meshes from closed 2-manifold surfaces. Our approach is inspired by recent work on maximal Poisson-disk sampling (MPS), which can generate well-distributed point sets in arbitrary domains. We first perform MPS on the boundary of the input domain, we then sample the interior of the domain, and we finally extract the tetrahedral mesh from the samples by using 3D Delaunay or regular triangulation for uniform or adaptive sampling, respectively. We also propose an efficient optimization strategy to protect the domain boundaries and to remove slivers to improve the meshing quality. We present various experimental results to illustrate the efficiency and the robustness of our proposed approach. We demonstrate that the performance and quality (e.g., minimal dihedral angle) of our approach are superior to current state-of-the-art optimization-based approaches.

  17. A computational study of nodal-based tetrahedral element behavior.

    Energy Technology Data Exchange (ETDEWEB)

    Gullerud, Arne S.

    2010-09-01

    This report explores the behavior of nodal-based tetrahedral elements on six sample problems, and compares their solution to that of a corresponding hexahedral mesh. The problems demonstrate that while certain aspects of the solution field for the nodal-based tetrahedrons provide good quality results, the pressure field tends to be of poor quality. Results appear to be strongly affected by the connectivity of the tetrahedral elements. Simulations that rely on the pressure field, such as those which use material models that are dependent on the pressure (e.g. equation-of-state models), can generate erroneous results. Remeshing can also be strongly affected by these issues. The nodal-based test elements as they currently stand need to be used with caution to ensure that their numerical deficiencies do not adversely affect critical values of interest.

  18. Tetrahedral gray code for visualization of genome information.

    Directory of Open Access Journals (Sweden)

    Natsuhiro Ichinose

    Full Text Available We propose a tetrahedral Gray code that facilitates visualization of genome information on the surfaces of a tetrahedron, where the relative abundance of each [Formula: see text]-mer in the genomic sequence is represented by a color of the corresponding cell of a triangular lattice. For biological significance, the code is designed such that the [Formula: see text]-mers corresponding to any adjacent pair of cells differ from each other by only one nucleotide. We present a simple procedure to draw such a pattern on the development surfaces of a tetrahedron. The thus constructed tetrahedral Gray code can demonstrate evolutionary conservation and variation of the genome information of many organisms at a glance. We also apply the tetrahedral Gray code to the honey bee (Apis mellifera genome to analyze its methylation structure. The results indicate that the honey bee genome exhibits CpG overrepresentation in spite of its methylation ability and that two conserved motifs, CTCGAG and CGCGCG, in the unmethylated regions are responsible for the overrepresentation of CpG.

  19. Relativistic Jahn-Teller effect in tetrahedral systems

    International Nuclear Information System (INIS)

    Opalka, Daniel; Domcke, Wolfgang; Segado, Mireia; Poluyanov, Leonid V.

    2010-01-01

    It is shown that orbitally degenerate states in highly symmetric systems are split by Jahn-Teller forces which are of relativistic origin (that is, they arise from the spin-orbit coupling operator). For the example of tetrahedral systems, the relativistic Jahn-Teller Hamiltonians of orbitally degenerate electronic states with spin 1/2 are derived. While both electrostatic and relativistic forces contribute to the Jahn-Teller activity of vibrational modes of E and T 2 symmetry in 2 T 2 states of tetrahedral systems, the electrostatic and relativistic Jahn-Teller couplings are complementary for 2 E states: The E mode is Jahn-Teller active through electrostatic forces, while the T 2 mode is Jahn-Teller active through the relativistic forces. The relativistic Jahn-Teller parameters have been computed with ab initio relativistic electronic-structure methods. It is shown for the example of the tetrahedral cluster cations of the group V elements that the relativistic Jahn-Teller couplings can be of the same order of magnitude as the familiar electrostatic Jahn-Teller couplings for the heavier elements.

  20. Amorphous metal composites

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  1. Erasing no-man's land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles.

    Science.gov (United States)

    Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

    2014-09-01

    One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point [1] located in the "no-man's land" [2]. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, since spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water [3, 4]. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon [5], carbon [6] and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

  2. Practical implementation of tetrahedral mesh reconstruction in emission tomography

    Science.gov (United States)

    Boutchko, R.; Sitek, A.; Gullberg, G. T.

    2013-05-01

    This paper presents a practical implementation of image reconstruction on tetrahedral meshes optimized for emission computed tomography with parallel beam geometry. Tetrahedral mesh built on a point cloud is a convenient image representation method, intrinsically three-dimensional and with a multi-level resolution property. Image intensities are defined at the mesh nodes and linearly interpolated inside each tetrahedron. For the given mesh geometry, the intensities can be computed directly from tomographic projections using iterative reconstruction algorithms with a system matrix calculated using an exact analytical formula. The mesh geometry is optimized for a specific patient using a two stage process. First, a noisy image is reconstructed on a finely-spaced uniform cloud. Then, the geometry of the representation is adaptively transformed through boundary-preserving node motion and elimination. Nodes are removed in constant intensity regions, merged along the boundaries, and moved in the direction of the mean local intensity gradient in order to provide higher node density in the boundary regions. Attenuation correction and detector geometric response are included in the system matrix. Once the mesh geometry is optimized, it is used to generate the final system matrix for ML-EM reconstruction of node intensities and for visualization of the reconstructed images. In dynamic PET or SPECT imaging, the system matrix generation procedure is performed using a quasi-static sinogram, generated by summing projection data from multiple time frames. This system matrix is then used to reconstruct the individual time frame projections. Performance of the new method is evaluated by reconstructing simulated projections of the NCAT phantom and the method is then applied to dynamic SPECT phantom and patient studies and to a dynamic microPET rat study. Tetrahedral mesh-based images are compared to the standard voxel-based reconstruction for both high and low signal-to-noise ratio

  3. Practical implementation of tetrahedral mesh reconstruction in emission tomography

    International Nuclear Information System (INIS)

    Boutchko, R; Gullberg, G T; Sitek, A

    2013-01-01

    This paper presents a practical implementation of image reconstruction on tetrahedral meshes optimized for emission computed tomography with parallel beam geometry. Tetrahedral mesh built on a point cloud is a convenient image representation method, intrinsically three-dimensional and with a multi-level resolution property. Image intensities are defined at the mesh nodes and linearly interpolated inside each tetrahedron. For the given mesh geometry, the intensities can be computed directly from tomographic projections using iterative reconstruction algorithms with a system matrix calculated using an exact analytical formula. The mesh geometry is optimized for a specific patient using a two stage process. First, a noisy image is reconstructed on a finely-spaced uniform cloud. Then, the geometry of the representation is adaptively transformed through boundary-preserving node motion and elimination. Nodes are removed in constant intensity regions, merged along the boundaries, and moved in the direction of the mean local intensity gradient in order to provide higher node density in the boundary regions. Attenuation correction and detector geometric response are included in the system matrix. Once the mesh geometry is optimized, it is used to generate the final system matrix for ML-EM reconstruction of node intensities and for visualization of the reconstructed images. In dynamic PET or SPECT imaging, the system matrix generation procedure is performed using a quasi-static sinogram, generated by summing projection data from multiple time frames. This system matrix is then used to reconstruct the individual time frame projections. Performance of the new method is evaluated by reconstructing simulated projections of the NCAT phantom and the method is then applied to dynamic SPECT phantom and patient studies and to a dynamic microPET rat study. Tetrahedral mesh-based images are compared to the standard voxel-based reconstruction for both high and low signal-to-noise ratio

  4. Tetrahedral hydrocarbon nanoparticles in space: X-ray spectra

    Science.gov (United States)

    Bilalbegović, G.; Maksimović, A.; Valencic, L. A.

    2018-06-01

    It has been proposed, or confirmed, that diamond nanoparticles exist in various environments in space: close to active galactic nuclei, in the vicinity of supernovae and pulsars, in the interior of several planets in the Solar system, in carbon planets, and other exoplanets, carbon-rich stars, meteorites, in X-ray active Herbig Ae/Be stars, and in the interstellar medium. Using density functional theory methods, we calculate the carbon K-edge X-ray absorption spectrum of two large tetrahedral nanodiamonds: C26H32 and C51H52. We also study and test our methods on the astrophysical molecule CH4, the smallest C-H tetrahedral structure. A possible detection of nanodiamonds from X-ray spectra by future telescopes, such as the project Arcus, is proposed. Simulated spectra of the diffuse interstellar medium using Cyg X-2 as a source show that nanodiamonds studied in this work can be detected by Arcus, a high-resolution X-ray spectrometer mission selected by NASA for a Phase A concept study.

  5. First principles simulation of amorphous InSb

    Science.gov (United States)

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

    2013-05-01

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

  6. Theory of amorphous ices.

    Science.gov (United States)

    Limmer, David T; Chandler, David

    2014-07-01

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

  7. Nuclear tetrahedral symmetry: possibly present throughout the periodic table.

    Science.gov (United States)

    Dudek, J; Goźdź, A; Schunck, N; Miśkiewicz, M

    2002-06-24

    More than half a century after the fundamental, spherical shell structure in nuclei had been established, theoretical predictions indicated that the shell gaps comparable or even stronger than those at spherical shapes may exist. Group-theoretical analysis supported by realistic mean-field calculations indicate that the corresponding nuclei are characterized by the TD(d) ("double-tetrahedral") symmetry group. Strong shell-gap structure is enhanced by the existence of the four-dimensional irreducible representations of TD(d); it can be seen as a geometrical effect that does not depend on a particular realization of the mean field. Possibilities of discovering the TD(d) symmetry in experiment are discussed.

  8. 3He/4He production ratios by tetrahedral symmetric condensation

    International Nuclear Information System (INIS)

    Takahashi, Akito

    2006-01-01

    The present paper treats application of the Electronic Quasi-Particle Expansion Theory (EQPET) model for Tetrahedral Symmetric Condensate (TSC) of H/D mixed systems for Pd host metal. Production ratios of 3 He/ 4 He for multi-body fusion reactions in H/D mixed TSC systems are calculated as a function of H/D mixing ratio. The model is further extended to treat direct nuclear interactions between host-metal nucleus and TSC of pure four protons (or four deuterons), since TSC can become very small (far less than 1 pm radius) charge-neutral pseudo-particle. Results for the case of Ni + 4p/TSC are discussed with Ni + p capture reactions and Ni + 4p fission reactions. (authors)

  9. Amorphous Solid Water:

    DEFF Research Database (Denmark)

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

    1975-01-01

    -like structure factor. The Fourier-transformed structure e factor yields a real space pair distribution function consistent with local tetrahedral coordination and hydrogen bonding, as in other condensed phases of water. The intramolecular OD separation is 1.00 angstrom; the lack of data for very large wave...

  10. Short-range order in amorphous thin films of indium selenides

    International Nuclear Information System (INIS)

    Zakharov, V.P.; Poltavtsev, Yu.G.; Sheremet, G.P.

    1982-01-01

    A structure of the short-range order and a character of interatomic interactions in indium selenides Insub(1-x)Sesub(x) with 0.333 <= x <= 0.75, obtained in the form of amorphous films 0.05-0.80 μm thick are studied using electron diffraction method. It is found out that mostly tetrahedrical coordination of nearest neighbours in the vicinity of indium atoms is characteristic for studied amorphous films, and coordination of selenium atoms is different. Amorphous film with x=0.75 posesses a considereably microheterogeneous structure of the short-range order, which is characterized by the presence of microunclusions of amorphous selenium and atoms of indium, octohedrically coordinated by selenium atoms

  11. 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.

  12. Pressure-induced amorphization of NaVO/sub 3 at room temperature and its re-crystallization

    International Nuclear Information System (INIS)

    Shen, Z.X.; Ong, C.W.; Tang, S.H.; Kuok, M.H.

    1994-01-01

    Pressure-induced amorphization is the subject of intense study for the past few years because of its importance in material science and in solid state physics. We reported a crystalline-amorphous phase transition at ca 60kbar in NaVO1/3, which is the lowest pressure for such transitions in ionic crystals. The transition is marked by the sudden appearance of very broad bands at the 800 and 350 cm/sup -1 regions. The amorphization includes the complete breaking up of the infinite chains of corner-linked tetrahedral VO/sub 4, most likely into VO/sup -/sub 3. On decompression, the amorphous phase transforms to another phase, probably also amorphous at ca 40 kbar. It reverts to the stable ambient condition α-phase upon heating. Here we report on the details of the transtitional region and the re-linking of the VO/sub 4 chains upon heating. (authors)

  13. Amorphous structure of iron oxide of bacterial origin

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, Hideki; Fujii, Tatsuo [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Kohara, Shinji [Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198 (Japan); Asaoka, Hiroshi [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Kusano, Yoshihiro [Department of Fine and Applied Arts, Kurashiki University of Science and the Arts, Kurashiki, Okayama 712-8505 (Japan); Ikeda, Yasunori [Research Institute for Production Development, Sakyo-ku, Kyoto 606-0805 (Japan); Nakanishi, Makoto [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); Benino, Yasuhiko; Nanba, Tokuro [Graduate School of Environmental Science, Okayama University, Okayama 700-8530 (Japan); Takada, Jun, E-mail: jtakada@cc.okayama-u.ac.jp [Graduate School of Natural Science and Technology, Okayama University, Okayama 700-8530 (Japan); JST, CREST, Okayama 700-8530 (Japan)

    2012-12-14

    In nature, there are various iron oxides produced by the water-habitant bacterial group called 'iron-oxidizing bacteria'. These iron oxides have been studied mainly from biological and geochemical perspectives. Today, attempts are made to use such iron oxides as novel functional materials in several applications. However, their quantitative structural characteristics are still unclear. We studied the structure of iron oxide of microtubular form consisting of amorphous nanoparticles formed by an iron-oxidizing bacterium, Leptothrix ochracea, using a combination of high-energy X-ray diffraction and reverse Monte Carlo simulation. We found that its structure consists of a framework of corner- and edge-sharing distorted FeO{sub 6} octahedral units, while SiO{sub 4} tetrahedral units are isolated in the framework. The results reveal the atomic arrangement of iron oxide of bacterial origin, which is essential for investigating its potential as a functional material. -- Highlights: Black-Right-Pointing-Pointer The amorphous structure of bacterial iron oxide was investigated. Black-Right-Pointing-Pointer The structure was simulated by high-energy X-ray diffraction and reverse Monte Carlo simulation. Black-Right-Pointing-Pointer The structure was constructed of a framework of corner- and edge-sharing distorted FeO{sub 6} octahedral units. Black-Right-Pointing-Pointer SiO{sub 4} tetrahedral units were distributed isolatedly in the framework of FeO{sub 6} octahedral units.

  14. A suitable low-order, eight-node tetrahedral finite element for solids

    Energy Technology Data Exchange (ETDEWEB)

    Key, S.W.; Heinstein, M.S.; Stone, C.M.; Mello, F.J.; Blanford, M.L.; Budge, K.G.

    1998-03-01

    To use the all-tetrahedral mesh generation existing today, the authors have explored the creation of a computationally efficient eight-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four mid-face nodal points). The derivation of the element`s gradient operator, studies in obtaining a suitable mass lumping, and the element`s performance in applications are presented. In particular they examine the eight-node tetrahedral finite element`s behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element samples only constant strain states and, therefore, has 12 hour-glass modes. In this regard it bears similarities to the eight-node, mean-quadrature hexahedral finite element. Comparisons with the results obtained from the mean-quadrature eight-node hexahedral finite element and the four-node tetrahedral finite element are included. Given automatic all-tetrahedral meshing, the eight-node, constant-strain tetrahedral finite element is a suitable replacement for the eight-node hexahedral finite element in those cases where mesh generation requires an inordinate amount of user intervention and direction to obtain acceptable mesh properties.

  15. A suitable low-order, eight-node tetrahedral finite element for solids

    International Nuclear Information System (INIS)

    Key, S.W.; Heinstein, M.S.; Stone, C.M.; Mello, F.J.; Blanford, M.L.; Budge, K.G.

    1998-03-01

    To use the all-tetrahedral mesh generation existing today, the authors have explored the creation of a computationally efficient eight-node tetrahedral finite element (a four-node tetrahedral finite element enriched with four mid-face nodal points). The derivation of the element's gradient operator, studies in obtaining a suitable mass lumping, and the element's performance in applications are presented. In particular they examine the eight-node tetrahedral finite element's behavior in longitudinal plane wave propagation, in transverse cylindrical wave propagation, and in simulating Taylor bar impacts. The element samples only constant strain states and, therefore, has 12 hour-glass modes. In this regard it bears similarities to the eight-node, mean-quadrature hexahedral finite element. Comparisons with the results obtained from the mean-quadrature eight-node hexahedral finite element and the four-node tetrahedral finite element are included. Given automatic all-tetrahedral meshing, the eight-node, constant-strain tetrahedral finite element is a suitable replacement for the eight-node hexahedral finite element in those cases where mesh generation requires an inordinate amount of user intervention and direction to obtain acceptable mesh properties

  16. Hydrogen solution in tetrahedral or octahedral interstitial sites in Al

    International Nuclear Information System (INIS)

    Zeng, C.A.; Hu, J.P.; Ouyang, C.Y.

    2011-01-01

    Highlights: → The physical nature of the site preference for H solution in BCC Al is revealed. → The site preference is result of competition between Al-H bonding interaction and local lattice distortion. → The Al-H bonding interaction lowers the solution energy while the local lattice distortion increases the solution energy. - Abstract: It is reported that H atoms prefer to stay at interstitial (defect) sites with larger space in most metals. However, H atom prefers to occupy tetrahedral interstitial sites (T-site) that provide smaller space than octahedral sites (O-site) in Al. This paper studied the H-Al interactions from first principles calculations. Through analysis of the H-induced electronic states and the local atomic relaxations, we show that H-Al bonding interaction is stronger for T-site H, which is in favor of the solution energy. On the other hand, larger local atomic distortion is observed around the T-site H, which increases the total energy.

  17. 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...

  18. Fast and Exact Fiber Surfaces for Tetrahedral Meshes.

    Science.gov (United States)

    Klacansky, Pavol; Tierny, Julien; Carr, Hamish; Zhao Geng

    2017-07-01

    Isosurfaces are fundamental geometrical objects for the analysis and visualization of volumetric scalar fields. Recent work has generalized them to bivariate volumetric fields with fiber surfaces, the pre-image of polygons in range space. However, the existing algorithm for their computation is approximate, and is limited to closed polygons. Moreover, its runtime performance does not allow instantaneous updates of the fiber surfaces upon user edits of the polygons. Overall, these limitations prevent a reliable and interactive exploration of the space of fiber surfaces. This paper introduces the first algorithm for the exact computation of fiber surfaces in tetrahedral meshes. It assumes no restriction on the topology of the input polygon, handles degenerate cases and better captures sharp features induced by polygon bends. The algorithm also allows visualization of individual fibers on the output surface, better illustrating their relationship with data features in range space. To enable truly interactive exploration sessions, we further improve the runtime performance of this algorithm. In particular, we show that it is trivially parallelizable and that it scales nearly linearly with the number of cores. Further, we study acceleration data-structures both in geometrical domain and range space and we show how to generalize interval trees used in isosurface extraction to fiber surface extraction. Experiments demonstrate the superiority of our algorithm over previous work, both in terms of accuracy and running time, with up to two orders of magnitude speedups. This improvement enables interactive edits of range polygons with instantaneous updates of the fiber surface for exploration purpose. A VTK-based reference implementation is provided as additional material to reproduce our results.

  19. 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

  20. 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...

  1. 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

  2. Erasing no-man’s land by thermodynamically stabilizing the liquid-liquid transition in tetrahedral particles

    Science.gov (United States)

    Smallenburg, Frank; Filion, Laura; Sciortino, Francesco

    2014-09-01

    One of the most controversial hypotheses for explaining the origin of the thermodynamic anomalies characterizing liquid water postulates the presence of a metastable second-order liquid-liquid critical point located in the `no-man’s land’. In this scenario, two liquids with distinct local structure emerge near the critical temperature. Unfortunately, as spontaneous crystallization is rapid in this region, experimental support for this hypothesis relies on significant extrapolations, either from the metastable liquid or from amorphous solid water. Although the liquid-liquid transition is expected to feature in many tetrahedrally coordinated liquids, including silicon, carbon and silica, even numerical studies of atomic and molecular models have been unable to conclusively prove the existence of this transition. Here we provide such evidence for a model in which it is possible to continuously tune the softness of the interparticle interaction and the flexibility of the bonds, the key ingredients controlling the existence of the critical point. We show that conditions exist where the full coexistence is thermodynamically stable with respect to crystallization. Our work offers a basis for designing colloidal analogues of water exhibiting liquid-liquid transitions in equilibrium, opening the way for experimental confirmation of the original hypothesis.

  3. Positrons in amorphous alloys

    International Nuclear Information System (INIS)

    Moser, Pierre.

    1981-07-01

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

  4. Superplasticity of amorphous alloy

    International Nuclear Information System (INIS)

    Levin, Yu.B.; Likhachev, V.L.; Sen'kov, O.N.

    1988-01-01

    Results of mechanical tests of Co 57 Ni 10 Fe 5 Si 11 B 17 amorphous alloy are presented and the effect of crystallization, occurring during deformation process, on plastic low characteristics is investiagted. Superplasticity of amorphous tape is investigated. It is shown, that this effect occurs only when during deformation the crystallization takes place. Process model, based on the usage disclination concepts about glass nature, is suggested

  5. Local order origin of thermal stability enhancement in amorphous Ag doping GeTe

    Energy Technology Data Exchange (ETDEWEB)

    Xu, L.; Li, Y.; Yu, N. N.; Zhong, Y. P.; Miao, X. S., E-mail: miaoxs@mail.hust.edu.cn [Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology (HUST), Wuhan 430074 (China); School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2015-01-19

    We demonstrate the impacts of Ag doping on the local atomic structure of amorphous GeTe phase-change material. The variations of phonon vibrational modes, boding nature, and atomic structure are shown by Raman, X-ray photoelectron spectroscopy, and ab initio calculation. Combining the experiments and simulations, we observe that the number of Ge atoms in octahedral site decreases and that in tetrahedral site increases. This modification in local order of GeTe originating from the low valence element will affect the crystallization behavior of amorphous GeTe, which is verified by differential scanning calorimetry and transmission electron microscope results. This work not only gives the analysis on the structural change of GeTe with Ag dopants but also provides a method to enhance the thermal stability of amorphous phase-change materials for memory and brain-inspired computing applications.

  6. Modelling the structure factors and pair distribution functions of amorphous germanium, silicon and carbon

    International Nuclear Information System (INIS)

    Dalgic, Seyfettin; Gonzalez, Luis Enrique; Baer, Shalom; Silbert, Moises

    2002-01-01

    We present the results of calculations of the static structure factor S(k) and the pair distribution function g(r) of the tetrahedral amorphous semiconductors germanium, silicon and carbon using the structural diffusion model (SDM). The results obtained with the SDM for S(k) and g(r) are of comparable quality with those obtained by the unconstrained Reverse Monte Carlo simulations and existing ab initio molecular dynamics simulations for these systems. We have found that g(r) exhibits a small peak, or shoulder, a weak remnant of the prominent third neighbour peak present in the crystalline phase of these systems. This feature has been experimentally found to be present in recently reported high energy X-ray experiments of amorphous silicon (Phys. Rev. B 60 (1999) 13520), as well as in the previous X-ray diffraction of as-evaporated amorphous germanium (Phys. Rev. B 50 (1994) 539)

  7. Modelling the structure factors and pair distribution functions of amorphous germanium, silicon and carbon

    Energy Technology Data Exchange (ETDEWEB)

    Dalgic, Seyfettin; Gonzalez, Luis Enrique; Baer, Shalom; Silbert, Moises

    2002-12-01

    We present the results of calculations of the static structure factor S(k) and the pair distribution function g(r) of the tetrahedral amorphous semiconductors germanium, silicon and carbon using the structural diffusion model (SDM). The results obtained with the SDM for S(k) and g(r) are of comparable quality with those obtained by the unconstrained Reverse Monte Carlo simulations and existing ab initio molecular dynamics simulations for these systems. We have found that g(r) exhibits a small peak, or shoulder, a weak remnant of the prominent third neighbour peak present in the crystalline phase of these systems. This feature has been experimentally found to be present in recently reported high energy X-ray experiments of amorphous silicon (Phys. Rev. B 60 (1999) 13520), as well as in the previous X-ray diffraction of as-evaporated amorphous germanium (Phys. Rev. B 50 (1994) 539)

  8. Crystalline and amorphous carbon nitride films produced by high-energy shock plasma deposition

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  9. Deposit of thin films of nitrided amorphous carbon using the laser ablation technique

    International Nuclear Information System (INIS)

    Rebollo, P.B.; Escobar A, L.; Camps C, E.; Haro P, E.; Camacho L, M.A.; Muhl S, S.

    2000-01-01

    It is reported the synthesis and characterization of thin films of amorphous carbon (a-C) nitrided, deposited by laser ablation in a nitrogen atmosphere at pressures which are from 4.5 x 10 -4 Torr until 7.5 x 10 -2 Torr. The structural properties of the films are studied by Raman spectroscopy obtaining similar spectra at the reported for carbon films type diamond. The study of behavior of the energy gap and the ratio nitrogen/carbon (N/C) in the films, shows that the energy gap is reduced when the nitrogen incorporation is increased. It is showed that the refraction index of the thin films diminish as nitrogen pressure is increased, indicating the formation of graphitic material. (Author)

  10. Controlled synthesis of concave tetrahedral palladium nanocrystals by reducing Pd(acac)2 with carbon monoxide

    International Nuclear Information System (INIS)

    Zhu, Hai; Chi, Quan; Zhao, Yanxi; Li, Chunya; Tang, Heqing; Li, Jinlin; Huang, Tao; Liu, Hanfan

    2012-01-01

    Graphical abstract: By using CO as a reducing agent, uniform and well-defined concave tetrahedral Pd nanocrystals were successfully synthesized. CO flow rate was the most essential for the formation of the concave tetrahedral nanostructures. The morphologies and sizes of the final products can be well controlled by adjusting the flow rate of CO. Highlights: ► By using CO as a reducing agent, concave tetrahedral Pd nanocrystals were obtained. ► CO flow rate is critical to the formation of concave tetrahedral Pd nanocrystals. ► The selective adsorption of CO on (1 1 0) facets is essential to concave Pd tetrahedra. -- Abstract: CO reducing strategy to control the morphologies of palladium nanocrystals was investigated. By using CO as a reducing agent, uniform and well-defined concave tetrahedral Pd nanocrystals with a mean size of about 55 ± 2 nm were readily synthesized with Pd(acac) 2 as a precursor and PVP as a stabilizer. The structures of the as-prepared Pd nanocrystals were characterized by transmission electron microscopy (TEM), X-ray powder diffraction (XRD), ultraviolet–visible (UV–vis) absorption spectroscopy and electrochemical measurements. The results demonstrated that CO was the most essential for the formation of the concave tetrahedral Pd nanostructures. The morphologies and sizes of the final products can be well controlled by adjusting the flow rate of CO. The most appropriate CO flow rate, temperature and time for the formation of the ideal concave tetrahedral Pd nanocrystals was 0.033 mL s −1 , 100 °C and 3 h, respectively.

  11. Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

    Science.gov (United States)

    Morishita, Tetsuya

    2009-05-21

    We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

  12. Low-energy excitations in amorphous films of silicon and germanium

    International Nuclear Information System (INIS)

    Liu, X.; Pohl, R.O.

    1998-01-01

    We present measurements of internal friction and shear modulus of amorphous Si (a-Si) and amorphous Ge (a-Ge) films on double-paddle oscillators at 5500 Hz from 0.5 K up to room temperature. The temperature- independent plateau in internal friction below 10 K, which is common to all amorphous solids, also exists in these films. However, its magnitude is smaller than found for all other amorphous solids studied to date. Furthermore, it depends critically on the deposition methods. For a-Si films, it decreases in the sequence of electron-beam evaporation, sputtering, self-ion implantation, and hot-wire chemical-vapor deposition (HWCVD). Annealing can also reduce the internal friction of the amorphous films considerably. Hydrogenated a-Si with 1 at.% H prepared by HWCVD leads to an internal friction more than two orders of magnitude smaller than observed for all other amorphous solids. The internal friction increases after the hydrogen is removed by effusion. Our results are compared with earlier measurements on a-Si and a-Ge films, none of which had the sensitivity achieved here. The variability of the low-energy tunneling states in the a-Si and a-Ge films may be a consequence of the tetrahedrally bonded covalent continuous random network. The perfection of this network, however, depends critically on the preparation conditions, with hydrogen incorporation playing a particularly important role. copyright 1998 The American Physical Society

  13. 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

  14. Determination of the population of octahedral and tetrahedral interstitials in zirconium hydrides

    International Nuclear Information System (INIS)

    Fedorov, V.M.; Gogava, V.V.; Shilo, S.I.; Biryukova, E.A.

    1983-01-01

    Results of neutron investigations of ZrHsub(1.66), ZrHsub(1.75) and ZrHsub(1.98) zirconium hydrides are presented. Investigations were conducted using plane polycrystal samples by multidetector system of scattered neutron detection. Neutron diffraction method was used to determine the number of interstitial hydrogen atoms in interstitials of the lattice cell in the case of statistic atom distribution. The numbers of interstitial atoms in octahedral interstitials for zirconium hydrides were determined experimentally; the difference of potential energies of hydrogen atoms in octa- and tetrahedral interstitials was determined as well. It is shown that experimentally determined difference of potential energies of hydrogen atoms, occupying octa- and tetrahedral positions in investigated zirconium hydrides results at room temperature in the pretailing occupation of tetrahedral interstitials by hydrogen atoms (85-90%); the occupation number grows with temperature decrease and the ordering of interstitial vacancies with formation of hydrogen superstructure takes place at low temperatures

  15. Ab initio investigation of inversion in tetrahedral molecules of transition metals

    International Nuclear Information System (INIS)

    Musaev, D.G.; Boldyrev, A.I.

    1984-01-01

    Tetrahedral and plane square configurations of TiH 4 , TiF 4 , molecules and ScH 4 - , ScF 4 - anions are optimized in the frames of Hartree-Fock-Roothaan method with the bases of DZHD and DZRS type. Inversion barriers of tetrahedral molecules through plane sqUare configuration which make up 46; 70; 27 and 39 kcal/mol in TiH 4 , TiF 4 , SoH 4 - and ScF 4 - respectively are estimated. Correlation diagrams under inversion are analyzed

  16. Physics at low spin in the mass 160 region: the search for tetrahedral shapes

    International Nuclear Information System (INIS)

    Bark, R.A.; Sharpey-Schafer, J.F.; Maliage, S.M.; Madiba, T.E.; Komati, F.S.; Lawrie, E.A.; Lawrie, J.J.; Lindasy, R.; Maine, P.; Mullins, S.M.; Murray, S.H.T.; Ncapayi, N.J.; Ramashidza, T.M.; Smit, F.D.; Vymers, P.

    2010-01-01

    The low-lying, odd-spin negative parity bands in the mass 160 region have been identified as candidates for the rotation of a tetrahedral shape, as they have very weak in-band E2 transitions. We report the observation of such bands in 160 Yb and 154 Gd. They are crossed by 2 quasiparticle bands which allow band mixing calculations to be carried out to derive relative quadrupole moments. However, those studied are not consistent with zero, as required for tetrahedral shape. The aligned angular momenta of the bands suggest an octupole vibrational assignment.

  17. Structure of amorphous sulfur

    CSIR Research Space (South Africa)

    Eichinger, BE

    2001-06-01

    Full Text Available The lambda-transition of elemental sulfur occurring at about 159°C has long been associated with the conversion of cyclic S8 rings (c-S8) to amorphous polymer (a-S) via a ring opening polymerization. It is demonstrated, with the use of both density...

  18. Structures of high and low density amorphous ice by neutron diffraction

    International Nuclear Information System (INIS)

    Finney, J.L.; Hallbrucker, A.; Kohl, I.; Soper, A.K.; Bowron, D.T.

    2002-01-01

    Neutron diffraction with isotope substitution is used to determine the structures of high (HDA) and low (LDA) density amorphous ice. Both 'phases' are fully hydrogen bonded, tetrahedral networks, with local order similarities between LDA and ice Ih, and HDA and liquid water. Moving from HDA, through liquid water and LDA to ice Ih, the second shell radial order increases at the expense of spatial order. This is linked to a fifth first neighbor 'interstitial' that restricts the orientations of first shell waters. This 'lynch pin' molecule which keeps the HDA structure intact has implications for the nature of the HDA-LDA transition that bear on the current metastable water debate

  19. A tetrapyridine ligand with a rigid tetrahedral core forms metal-organic frameworks with PtS type architecture.

    Science.gov (United States)

    Caputo, Christopher B; Vukotic, V Nicholas; Sirizzotti, Natalie M; Loeb, Stephen J

    2011-08-14

    A new tetradentate, pyridine ligand with a rigid tetrahedral core can be prepared in good yield by a cross-coupling methodology. Two metal organic framework structures of Cu(II) with PtS-type topology having a carbon atom as the tetrahedral node have been characterized utilising this ligand. This journal is © The Royal Society of Chemistry 2011

  20. Atomic-scale study of the amorphous-to-crystalline phase transition mechanism in GeTe thin films

    CERN Document Server

    Mantovan, R.; Mokhles Gerami, A.; Mølholt, T. E.; Wiemer, C.; Longo, M.; Gunnlaugsson, H. P.; Johnston, K.; Masenda, H.; Naidoo, D.; Ncube, M.; Bharuth-Ram, K.; Fanciulli, M.; Gislason, H. P.; Langouche, G.; Ólafsson, S.; Weyer, G.

    The underlying mechanism driving the structural amorphous-to-crystalline transition in Group VI chalcogenides is still a matter of debate even in the simplest GeTe system. We exploit the extreme sensitivity of 57Fe emission Mössbauer spectroscopy, following dilute implantation of 57Mn (T½ = 1.5 min) at ISOLDE/CERN, to study the electronic charge distribution in the immediate vicinity  of the 57Fe probe substituting Ge (FeGe), and to interrogate the local environment of FeGe over the amorphous-crystalline phase transition in GeTe thin films. Our results show that the local structure  of as-sputtered amorphous GeTe is a combination of tetrahedral and defect-octahedral sites. The main effect of the crystallization is the conversion from tetrahedral to defect-free octahedral sites.  We discover that only the tetrahedral fraction in amorphous GeTe participates to the change of the FeGe-Te chemical bond...

  1. DNA tetrahedral scaffolds-based platform for the construction of electrochemiluminescence biosensor.

    Science.gov (United States)

    Feng, Qiu-Mei; Zhou, Zhen; Li, Mei-Xing; Zhao, Wei; Xu, Jing-Juan; Chen, Hong-Yuan

    2017-04-15

    Proximal metallic nanoparticles (NPs) could quench the electrochemiluminescence (ECL) emission of semiconductor quantum dots (QDs) due to Förster energy transfer (FRET), but at a certain distance, the coupling of light-emission with surface plasmon resonance (SPR) result in enhanced ECL. Thus, the modification strategies and distances control between QDs and metallic NPs are critical for the ECL intensity of QDs. In this strategy, a SPR enhanced ECL sensor based on DNA tetrahedral scaffolds modified platform was reported for the detection of telomerase activity. Due to the rigid three-dimensional structure, DNA tetrahedral scaffolds grafting on the electrode surface could accurately modulate the distance between CdS QDs and luminol labelled gold nanoparticles (L-Au NPs), meanwhile provide an enhanced spatial dimension and accessibility for the assembly of multiple L-Au NPs. The ECL intensities of both CdS QDs (-1.25V vs. SCE) and luminol (+0.33V vs. SCE) gradually increased along with the formation of multiple L-Au NPs at the vertex of DNA tetrahedral scaffolds induced by telomerase, bringing in a dual-potential ECL analysis. The proposed method showed high sensitivity for the identification of telomerase and was successfully applied for the differentiation of cancer cells from normal cells. This work suggests that DNA tetrahedral scaffolds could serve as an excellent choice for the construction of SPR-ECL system. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Amorphous silicon radiation detectors

    Science.gov (United States)

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

    1992-01-01

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

  3. Environmentally stable adsorbent of tetrahedral silica and non-tetrahedral alumina for removal and recovery of malachite green dye from aqueous solution

    International Nuclear Information System (INIS)

    Kannan, Chellapandian; Sundaram, Thiravium; Palvannan, Thayumanavan

    2008-01-01

    The conventional adsorbents like activated carbon, agricultural wastes, molecular sieves, etc., used for dye adsorption are unstable in the environment for long time, and hence the adsorbed dyes again gets liberated and pollute the environment. To avoid this problem, environmentally stable adsorbent of silica and alumina should be employed for malachite green adsorption. The adsorbents were characterized by Fourier transformed infrared spectroscopy (FT-IR) to confirm the tetrahedral framework of silica and non-tetrahedral framework of alumina. The adsorption equilibrium of dye on alumina and silica were 4 and 5 h, respectively, this less adsorption time on alumina might be due to the less activation energy on alumina (63.46 kJ mol -1 ) than silica (69.93 kJ mol -1 ). Adsorption increased with increase of temperature on silica, in alumina, adsorption increased up to 60 deg. C, and further increase of temperature decreased the adsorption due to the structural change of non-tetrahedral alumina in water. The optimum pH for dye adsorption on alumina was 5 and silica was 6. The dye adsorptions on both adsorbents followed pseudo-second-order kinetics. The adsorption well matched with Langmuir and Freundlich adsorption isotherms and found that adsorption capacity on alumina was more than silica. The thermodynamic studies proved that the adsorption was endothermic and chemisorptions (ΔH o > 40 kJ mol -1 ) on alumina and silica. Recovery of dye on alumina and silica were studied from 30 to 90 deg. C and observed that 52% of dye was recovered from alumina and only 3.5% from silica. The less recovery on silica proved the strong adsorption of dye on silica than alumina

  4. Environmentally stable adsorbent of tetrahedral silica and non-tetrahedral alumina for removal and recovery of malachite green dye from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Kannan, Chellapandian [Department of Chemistry, Periyar University, Salem 636011, Tamilnadu (India)], E-mail: chellapandiankannan@gmail.com; Sundaram, Thiravium [Department of Chemistry, Periyar University, Salem 636011, Tamilnadu (India); Palvannan, Thayumanavan [Department of Biochemistry, Periyar University, Salem 636011, Tamilnadu (India)

    2008-08-30

    The conventional adsorbents like activated carbon, agricultural wastes, molecular sieves, etc., used for dye adsorption are unstable in the environment for long time, and hence the adsorbed dyes again gets liberated and pollute the environment. To avoid this problem, environmentally stable adsorbent of silica and alumina should be employed for malachite green adsorption. The adsorbents were characterized by Fourier transformed infrared spectroscopy (FT-IR) to confirm the tetrahedral framework of silica and non-tetrahedral framework of alumina. The adsorption equilibrium of dye on alumina and silica were 4 and 5 h, respectively, this less adsorption time on alumina might be due to the less activation energy on alumina (63.46 kJ mol{sup -1}) than silica (69.93 kJ mol{sup -1}). Adsorption increased with increase of temperature on silica, in alumina, adsorption increased up to 60 deg. C, and further increase of temperature decreased the adsorption due to the structural change of non-tetrahedral alumina in water. The optimum pH for dye adsorption on alumina was 5 and silica was 6. The dye adsorptions on both adsorbents followed pseudo-second-order kinetics. The adsorption well matched with Langmuir and Freundlich adsorption isotherms and found that adsorption capacity on alumina was more than silica. The thermodynamic studies proved that the adsorption was endothermic and chemisorptions ({delta}H{sup o} > 40 kJ mol{sup -1}) on alumina and silica. Recovery of dye on alumina and silica were studied from 30 to 90 deg. C and observed that 52% of dye was recovered from alumina and only 3.5% from silica. The less recovery on silica proved the strong adsorption of dye on silica than alumina.

  5. Methods of amorphization and investigation of the amorphous state

    OpenAIRE

    EINFALT, TOMAŽ; PLANINŠEK, ODON; HROVAT, KLEMEN

    2013-01-01

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

  6. 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.

  7. Ion implantation and amorphous metals

    International Nuclear Information System (INIS)

    Hohmuth, K.; Rauschenbach, B.

    1981-01-01

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

  8. Origins of amorphous interstellar grains

    International Nuclear Information System (INIS)

    Hasegawa, H.

    1984-01-01

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

  9. Amorphous silicon based particle detectors

    OpenAIRE

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

    2012-01-01

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

  10. Amorphous drugs and dosage forms

    DEFF Research Database (Denmark)

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

    2013-01-01

    The transformation to an amorphous form is one of the most promising approaches to address the low solubility of drug compounds, the latter being an increasing challenge in the development of new drug candidates. However, amorphous forms are high energy solids and tend to recry stallize. New...... formulation principles are needed to ensure the stability of amorphous drug forms. The formation of solid dispersions is still the most investigated approach, but additional approaches are desirable to overcome the shortcomings of solid dispersions. Spatial separation by either coating or the use of micro-containers...... before single molecules are available for the formation of crystal nuclei, thus stabilizing the amorphous form....

  11. Atomic Scale Picture of the Ion Conduction Mechanism in Tetrahedral Network of Lanthanum Barium Gallate

    Energy Technology Data Exchange (ETDEWEB)

    Jalarvo, Niina H [ORNL; Gourdon, Olivier [ORNL; Bi, Zhonghe [ORNL; Gout, Delphine J [ORNL; Ohl, Michael E [ORNL; Paranthaman, Mariappan Parans [ORNL

    2013-01-01

    Combined experimental study of impedance spectroscopy, neutron powder diffraction and quasielastic neutron scattering was performed to shed light into the atomic scale ion migration processes in proton and oxide ion conductor; La0.8Ba1.2GaO3.9 . This material consist of tetrahedral GaO4 units, which are rather flexible and rocking motion of these units promotes the ionic migration process. The oxide ion (vacancy) conduction takes place on channels along c axis, involving a single elementary step, which occurs between adjacent tetrahedron (inter-tetrahedron jump). The proton conduction mechanism consists of intra-tetrahedron and inter-tetrahedron elementary processes. The intra-tetrahedron proton transport is the rate-limiting process, with activation energy of 0.44 eV. The rocking motion of the GaO4 tetrahedron aids the inter-tetrahedral proton transport, which has the activation energy of 0.068 eV.

  12. A tetrahedrally coordinated cobalt(II) aminophosphonate containing one-dimensional channels

    International Nuclear Information System (INIS)

    Gemmill, William R.; Smith, Mark D.; Reisner, Barbara A.

    2005-01-01

    A tetrahedrally coordinated cobalt(II) phosphonate, Co(O 3 PCH 2 CH 2 NH 2 ), has been synthesized using hydrothermal techniques. X-ray diffraction indicates that this material is a three-dimensional open framework with rings aligned along a single axis forming infinite one-dimensional channels. The framework decomposes just above 400 deg. C. Magnetic susceptibility data are consistent with weak antiferromagnetic ordering at low temperatures

  13. Urea-functionalized crystalline capsules for recognition and separation of tetrahedral oxoanions

    Energy Technology Data Exchange (ETDEWEB)

    Custelcean, Radu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division

    2012-12-21

    We reviewed the persistent ability of tripodal TREN-based tris-urea receptors (TREN = tris(2-aminoethyl)amine) to self-assemble with a variety of oxoanions into dimeric capsules upon crystallization. The capsule crystallization allows for charge-, shape-, and size-selective encapsulation of tetrahedral XO4n-anions (n = 2,3), and provides an effective way to separate these anions from competitive aqueous environments.

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

    Science.gov (United States)

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

    2012-06-22

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

  15. First-principles study of amorphous Ga4Sb6Te3 phase-change alloys

    Science.gov (United States)

    Bouzid, Assil; Gabardi, Silvia; Massobrio, Carlo; Boero, Mauro; Bernasconi, Marco

    2015-05-01

    First-principles molecular dynamics simulations within the density functional theory framework were performed to generate amorphous models of the Ga4Sb6Te3 phase change alloy by quenching from the melt. We find that Ga-Sb and Ga-Te are the most abundant bonds with only a minor amount of Sb-Te bonds participating to the alloy network. Ga and four-coordinated Sb atoms present a tetrahedral-like geometry, whereas three-coordinated Sb atoms are in a pyramidal configuration. The tetrahedral-like geometries are similar to those of the crystalline phase of the two binary compounds GaTe and GaSb. A sizable fraction of Sb-Sb bonds is also present, indicating a partial nanoscale segregation of Sb. Despite the fact that the composition Ga4Sb6Te3 lies on the pseudobinary Ga Sb -Sb2Te3 tie line, the amorphous network can be seen as a mixture of the two binary compounds GaTe and GaSb with intertwined elemental Sb.

  16. First-principles study of the amorphous In3SbTe2 phase change compound

    Science.gov (United States)

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

    2013-11-01

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

  17. Amorphous silicon ionizing particle detectors

    Science.gov (United States)

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

    1988-01-01

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

  18. First-principles study of the liquid and amorphous phases of In2Te3

    Science.gov (United States)

    Dragoni, D.; Gabardi, S.; Bernasconi, M.

    2017-08-01

    Structural, dynamical, and electronic properties of the liquid and amorphous phase of the In2Te3 compound have been studied by means of density functional molecular dynamics simulations. This system is of interest as a phase change material, undergoing a fast and reversible change between the crystalline and amorphous phases upon heating. It can be seen as a constituent of ternary InSbTe alloys which are receiving attention for application in electronic phase change memories. Amorphous models of In2Te3 300 -atom large have been generated by quenching from the melt by using different exchange and correlation functionals and different descriptions of the van der Waals interaction. It turns out the local bonding geometry of the amorphous phase is mostly tetrahedral with corner and edge sharing tetrahedra similar to those found in the crystalline phases of the InTe, In2Te3 , and In2Te5 compounds. Benchmark calculations on the crystalline α phase of In2Te3 in the defective zincblend geometry have also been performed. The calculations reveal that the high symmetric F 4 ¯3 m structure inferred experimentally from x-ray diffraction for the α phase must actually result from a random distribution of Te-Te bonds in different octahedral cages formed by the coalescence of vacancies in the In sublattice.

  19. Crystallization inhibitors for amorphous oxides

    International Nuclear Information System (INIS)

    Reznitskij, L.A.; Filippova, S.E.

    1993-01-01

    Data for the last 10 years, in which experimental results of studying the temperature stabilization of x-ray amorphous oxides (including R 3 Fe 5 O 12 R-rare earths, ZrO 2 , In 2 O 3 , Sc 2 O 3 ) and their solid solution are presented, are generalized. Processes of amorphous oxide crystallization with the production of simple oxides, solid solutions and chemical compounds with different polyhedral structure, are investigated. Energy and crystallochemical criteria for selecting the doping inhibitor-components stabilizing the amorphous state are ascertained, temperatures and enthalpies of amorpous oxide crystallization are determined, examination of certain provisions of iso,orphous miscibility theory is conducted

  20. Shutdown dose rate analysis with CAD geometry, Cartesian/tetrahedral mesh, and advanced variance reduction

    International Nuclear Information System (INIS)

    Biondo, Elliott D.; Davis, Andrew; Wilson, Paul P.H.

    2016-01-01

    Highlights: • A CAD-based shutdown dose rate analysis workflow has been implemented. • Cartesian and superimposed tetrahedral mesh are fully supported. • Biased and unbiased photon source sampling options are available. • Hybrid Monte Carlo/deterministic techniques accelerate photon transport. • The workflow has been validated with the FNG-ITER benchmark problem. - Abstract: In fusion energy systems (FES) high-energy neutrons born from burning plasma activate system components to form radionuclides. The biological dose rate that results from photons emitted by these radionuclides after shutdown—the shutdown dose rate (SDR)—must be quantified for maintenance planning. This can be done using the Rigorous Two-Step (R2S) method, which involves separate neutron and photon transport calculations, coupled by a nuclear inventory analysis code. The geometric complexity and highly attenuating configuration of FES motivates the use of CAD geometry and advanced variance reduction for this analysis. An R2S workflow has been created with the new capability of performing SDR analysis directly from CAD geometry with Cartesian or tetrahedral meshes and with biased photon source sampling, enabling the use of the Consistent Adjoint Driven Importance Sampling (CADIS) variance reduction technique. This workflow has been validated with the Frascati Neutron Generator (FNG)-ITER SDR benchmark using both Cartesian and tetrahedral meshes and both unbiased and biased photon source sampling. All results are within 20.4% of experimental values, which constitutes satisfactory agreement. Photon transport using CADIS is demonstrated to yield speedups as high as 8.5·10"5 for problems using the FNG geometry.

  1. Broadband three-dimensional diamond-shaped invisible cloaks composed of tetrahedral homogeneous blocks

    International Nuclear Information System (INIS)

    Wang Xinhua; Qu Shaobo; Wu Xiang; Wang Jiafu; Ma Hua; Xu Zhuo

    2010-01-01

    By means of embedded optical transformation, three-dimensional diamond-shaped invisible cloaks composed of tetrahedral homogeneous blocks have been designed in this paper. The constitutive parameters of the invisible cloaks can be obtained based on the form invariance of Maxwell's equations in coordinate transformation. Numerical methods using the finite element method verified the diamond-shaped cloaks. The invisible properties of the designed cloaks are nearly perfect when the original line section is sufficiently short compared with its counterpart in the after-transformed space. The designed cloaks can operate in a wide bandwidth due to the line transformation in the coordinate transformation process.

  2. A three-dimensional tetrahedral-shaped conjugated small molecule for organic solar cells

    Directory of Open Access Journals (Sweden)

    QIN Yang

    2014-04-01

    Full Text Available We report the synthesis of a novel three-dimensional tetrahedral-shaped small molecule,SO,containing a tetraphenylsilane core and cyanoester functionalized terthiophene arms.A deep lying HOMO energy level of -5.3 eV and a narrow bandgap of 1.9 eV were obtained from cyclic voltammetry measurements.Absorption,X-ray scattering and differential scanning calorimetry experiments all indicate high crystallinity of this compound.Solar cells employing SO were fabricated and evaluated.The relatively low performance was mainly ascribed to lack of appreciable phase separation,which is confirmed by optical microscopy.

  3. Electromagnetic forward modelling for realistic Earth models using unstructured tetrahedral meshes and a meshfree approach

    Science.gov (United States)

    Farquharson, C.; Long, J.; Lu, X.; Lelievre, P. G.

    2017-12-01

    Real-life geology is complex, and so, even when allowing for the diffusive, low resolution nature of geophysical electromagnetic methods, we need Earth models that can accurately represent this complexity when modelling and inverting electromagnetic data. This is particularly the case for the scales, detail and conductivity contrasts involved in mineral and hydrocarbon exploration and development, but also for the larger scale of lithospheric studies. Unstructured tetrahedral meshes provide a flexible means of discretizing a general, arbitrary Earth model. This is important when wanting to integrate a geophysical Earth model with a geological Earth model parameterized in terms of surfaces. Finite-element and finite-volume methods can be derived for computing the electric and magnetic fields in a model parameterized using an unstructured tetrahedral mesh. A number of such variants have been proposed and have proven successful. However, the efficiency and accuracy of these methods can be affected by the "quality" of the tetrahedral discretization, that is, how many of the tetrahedral cells in the mesh are long, narrow and pointy. This is particularly the case if one wants to use an iterative technique to solve the resulting linear system of equations. One approach to deal with this issue is to develop sophisticated model and mesh building and manipulation capabilities in order to ensure that any mesh built from geological information is of sufficient quality for the electromagnetic modelling. Another approach is to investigate other methods of synthesizing the electromagnetic fields. One such example is a "meshfree" approach in which the electromagnetic fields are synthesized using a mesh that is distinct from the mesh used to parameterized the Earth model. There are then two meshes, one describing the Earth model and one used for the numerical mathematics of computing the fields. This means that there are no longer any quality requirements on the model mesh, which

  4. H2O-induced trigonal-to-tetrahedral transition in boron zeolites

    International Nuclear Information System (INIS)

    Fois, E.; Gamba, A.; Trudu, F.; Tabacchi, G.

    2008-01-01

    The behaviour of a protonated boron-containing zeolite at intermediate hydration degree has been investigated by means of periodic DFT approaches. Results of a combined room-temperature Car-Parrinello molecular dynamics blue-moon path sampling simulation indicate that, in the line with experimental findings, the BO 3 /Si-OH acid site typical of dry samples is converted to a hydrated H 3 O + hydrogen bonded to tetrahedral BO 4 - at moderate water content (four H 2 O per B site) with an activation free barrier of the order of few k T.

  5. Soft Chemistry, Coloring and Polytypism in Filled Tetrahedral Semiconductors: Toward Enhanced Thermoelectric and Battery Materials.

    Science.gov (United States)

    White, Miles A; Medina-Gonzalez, Alan M; Vela, Javier

    2018-03-12

    Filled tetrahedral semiconductors are a rich family of compounds with tunable electronic structure, making them ideal for applications in thermoelectrics, photovoltaics, and battery anodes. Furthermore, these materials crystallize in a plethora of related structures that are very close in energy, giving rise to polytypism through the manipulation of synthetic parameters. This Minireview highlights recent advances in the solution-phase synthesis and nanostructuring of these materials. These methods enable the synthesis of metastable phases and polytypes that were previously unobtainable. Additionally, samples synthesized in solution phase have enhanced thermoelectric performance due to their decreased grain size. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates

    Science.gov (United States)

    Protasevich, Alexander E.; Nikitin, Andrei V.

    2018-01-01

    In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full symmetry of molecules. Unlike A.V. Nikitin, M. Rey, and Vl. G. Tyuterev who operate with the kinetic energy operator only in Radau orthogonal coordinates, we consider a general case. The matrix elements are shown to be a sum of products of one-dimensional integrals.

  7. Highly parallel demagnetization field calculation using the fast multipole method on tetrahedral meshes with continuous sources

    Science.gov (United States)

    Palmesi, P.; Exl, L.; Bruckner, F.; Abert, C.; Suess, D.

    2017-11-01

    The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Computational improvements can relieve problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. The novelty lies in extending FMM to linearly magnetized tetrahedral sources making it interesting also for other areas of computational physics. We treat the near field directly and in use (exact) numerical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.

  8. DNA-mediated self-assembly of tetrahedral plasmonic clusters for metafluids

    Science.gov (United States)

    Schade, Nicholas; Sun, Li; Lee, You-Jin; Fan, Jonathan; Capasso, Federico; Yi, Gi-Ra; Manoharan, Vinothan

    2014-03-01

    We direct the self-assembly of clusters of gold nanospheres with the goal of creating a bulk, isotropic, optical metafluid. We use spherical gold nanoparticles that are exceptionally smooth, monocrystalline, and monodisperse. These particles exhibit highly reproducible scattering spectra compared with commercially available gold colloids. We label them with DNA sequences and mix them together to self-assemble small clusters. By controlling the particle sizes and the interactions between them, we maximize the yield of tetrahedral clusters, the ideal structures for isotropic metamaterials.

  9. Tetrahedral-Mesh Simulation of Turbulent Flows with the Space-Time Conservative Schemes

    Science.gov (United States)

    Chang, Chau-Lyan; Venkatachari, Balaji; Cheng, Gary C.

    2015-01-01

    Direct numerical simulations of turbulent flows are predominantly carried out using structured, hexahedral meshes despite decades of development in unstructured mesh methods. Tetrahedral meshes offer ease of mesh generation around complex geometries and the potential of an orientation free grid that would provide un-biased small-scale dissipation and more accurate intermediate scale solutions. However, due to the lack of consistent multi-dimensional numerical formulations in conventional schemes for triangular and tetrahedral meshes at the cell interfaces, numerical issues exist when flow discontinuities or stagnation regions are present. The space-time conservative conservation element solution element (CESE) method - due to its Riemann-solver-free shock capturing capabilities, non-dissipative baseline schemes, and flux conservation in time as well as space - has the potential to more accurately simulate turbulent flows using unstructured tetrahedral meshes. To pave the way towards accurate simulation of shock/turbulent boundary-layer interaction, a series of wave and shock interaction benchmark problems that increase in complexity, are computed in this paper with triangular/tetrahedral meshes. Preliminary computations for the normal shock/turbulence interactions are carried out with a relatively coarse mesh, by direct numerical simulations standards, in order to assess other effects such as boundary conditions and the necessity of a buffer domain. The results indicate that qualitative agreement with previous studies can be obtained for flows where, strong shocks co-exist along with unsteady waves that display a broad range of scales, with a relatively compact computational domain and less stringent requirements for grid clustering near the shock. With the space-time conservation properties, stable solutions without any spurious wave reflections can be obtained without a need for buffer domains near the outflow/farfield boundaries. Computational results for the

  10. Tetrahedral 1B4Sb nanoclusters in GaP:(B, Sb)

    Energy Technology Data Exchange (ETDEWEB)

    Elyukhin, V A, E-mail: elyukhin@cinvestav.m [Departamento de Ingenieria Electrica-SEES, CINVESTAV-IPN, Avenida IPN 2508, Col. San Pedro Zacatenco, C. P. 07360, Mexico, D. F. (Mexico)

    2009-05-01

    Self-assembling conditions of 1B4Sb tetrahedral nanoclusters in GaP doped with boron and Sb isoelectronic impurities are represented in the ultradilute and dilute limits of the boron and Sb contents, respectively. The fulfilled estimates demonstrated the preferential complete or almost complete allocation of boron atoms in 1B4Sb nanoclusters at temperatures of 500 {sup 0}C and 900 {sup 0}C, respectively. The significant decrease of the sum of the free energies of the constituent compounds is the main origin of self-assembling. The reduction of the strain energy is the additional cause of this phenomenon.

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

    Science.gov (United States)

    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.

  12. Amorphous Ti-Zr

    International Nuclear Information System (INIS)

    Rabinkin, A.; Liebermann, H.; Pounds, S.; Taylor, T.

    1991-01-01

    This paper is the first report on processing, properties and potential application of amorphous titanium/zirconium-base alloys produced in the form of a good quality continuous and ductile ribbon having up to 12.5 mm width. To date, the majority of titanium brazing is accomplished using cooper and aluminum-base brazing filler metals. The brazements produced with these filler metals have rather low (∼300 degrees C) service temperature, thus impeding progress in aircraft and other technologies and industries. The attempt to develop a generation of high temperature brazing filler metals was made in the late sixties-early seventies studies in detail were a large number of Ti-, Zr-Ti-Zr, Ti-V and Zr-V-Ti based alloys. The majority of these alloys has copper and nickel as melting temperature depressants. The presence of nickel and copper converts them into eutectic alloys having [Ti(Zr)] [Cu(Ni)], intermetallic phases as major structural constituents. This, in turn, results in high alloy brittleness and poor, if any, processability by means of conventional, i.e. melting-ingot casting-deformation technology. In spite of good wettability and high joint strength achieved in dozens of promising alloys, only Ti-15Cu-15Ni is now widely used as a brazing filler metal for high service temperature. Up until now this material could not be produced as a homogeneous foil and is instead applied as a clad strip consisting of three separate metallic layers

  13. 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

  14. The Effect of Titanium Tetrahedral Coordination of Silica-Titania Catalyst on the Physical Properties of Biodiesel

    Science.gov (United States)

    Nizar, U. K.; Hidayatul, J.; Sundari, R.; Bahrizal, B.; Amran, A.; Putra, A.; Latisma DJ, L.; Dewata, I.

    2018-04-01

    This study investigates the correlation of the number of titanium tetrahedral coordination and biodiesel production. The solid-state method has been used to synthesis of silica-titania catalyst for biodiesel production, which the precursors, i.e. silica and titania commercials were heated in the temperature range of 450 - 550°C. The characterization of the prepared silica-titania has been studied by FTIR and DR UV-Vis in order to identify and calculate the presence of titanium tetrahedral coordination in silica-titania catalyst. A very small peak at around 950 cm-1 indicated the presence of titanium tetrahedral coordination through Si–O–Ti bonds. Deconvolution of DR UV-Vis spectra showed the coordination of titanium in silica-titania is more octahedral. However, the number of titanium tetrahedral coordination of the prepared silica-titania is found higher than that of TiO2 commercial. The increasing of titanium tetrahedral fraction in silica-titania affects the physical properties of biodiesel in terms of boiling point, viscosity and density, which is produced by the reaction of methanol and palm oil.

  15. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    Science.gov (United States)

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

    2016-05-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  16. Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

    International Nuclear Information System (INIS)

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

    2016-01-01

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In 3 SbTe 2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge 2 Sb 2 Te 5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  17. Verification of the three-dimensional tetrahedral grid SN code THOR

    International Nuclear Information System (INIS)

    Schunert, S.; Ferrer, R.; Azmy, Y.

    2013-01-01

    In this work current capabilities implemented in the novel, arbitrary-order, tetrahedral-grid short characteristics S N radiation transport code THOR are verified based on four benchmark problems: (1) A one-group Method of Manufactured Solution (MMS) problem on a cuboidal domain, (2) an infinite medium eigenvalue problem with up-scattering, (3) a homogeneous torus and (4) a bare cube eigenvalue problem with anisotropic scattering up to order three. The first benchmark problem exercises the various spatial discretization options available in THOR: The short characteristics method in conjunction with polynomial expansions of the source and face fluxes either using the complete or Lagrange family of arbitrary orders. Using the numerical solution's order of convergence test in the framework of a mesh refinement study, correct implementation of a selection of spatial expansion orders is demonstrated for two meshes with tetrahedral aspect ratios close to unity and 50. The second benchmark problem exercises the implementation of angular fluxes on reflective boundary faces that are implicit within a mesh sweep, and up-scattering. The third benchmark problem comprises cyclic dependencies within the mesh sweep thus exercising the algorithm devised for 'breaking' the cyclic dependencies. Finally, the fourth benchmark problem, a simple bare cube, is used to test correct implementation of the anisotropic scattering capability. For all test problems THOR obtains solutions that converge to the reference/exact solution with the expected rate thereby contributing to our confidence in the correctness of its tested features in the present implementation. (authors)

  18. Spectroscopic criteria for identification of nuclear tetrahedral and octahedral symmetries: Illustration on a rare earth nucleus

    Science.gov (United States)

    Dudek, J.; Curien, D.; Dedes, I.; Mazurek, K.; Tagami, S.; Shimizu, Y. R.; Bhattacharjee, T.

    2018-02-01

    We formulate criteria for identification of the nuclear tetrahedral and octahedral symmetries and illustrate for the first time their possible realization in a rare earth nucleus 152Sm. We use realistic nuclear mean-field theory calculations with the phenomenological macroscopic-microscopic method, the Gogny-Hartree-Fock-Bogoliubov approach, and general point-group theory considerations to guide the experimental identification method as illustrated on published experimental data. Following group theory the examined symmetries imply the existence of exotic rotational bands on whose properties the spectroscopic identification criteria are based. These bands may contain simultaneously states of even and odd spins, of both parities and parity doublets at well-defined spins. In the exact-symmetry limit those bands involve no E 2 transitions. We show that coexistence of tetrahedral and octahedral deformations is essential when calculating the corresponding energy minima and surrounding barriers, and that it has a characteristic impact on the rotational bands. The symmetries in question imply the existence of long-lived shape isomers and, possibly, new waiting point nuclei—impacting the nucleosynthesis processes in astrophysics—and an existence of 16-fold degenerate particle-hole excitations. Specifically designed experiments which aim at strengthening the identification arguments are briefly discussed.

  19. Artificial intelligence approach to planning the robotic assembly of large tetrahedral truss structures

    Science.gov (United States)

    Homemdemello, Luiz S.

    1992-01-01

    An assembly planner for tetrahedral truss structures is presented. To overcome the difficulties due to the large number of parts, the planner exploits the simplicity and uniformity of the shapes of the parts and the regularity of their interconnection. The planning automation is based on the computational formalism known as production system. The global data base consists of a hexagonal grid representation of the truss structure. This representation captures the regularity of tetrahedral truss structures and their multiple hierarchies. It maps into quadratic grids and can be implemented in a computer by using a two-dimensional array data structure. By maintaining the multiple hierarchies explicitly in the model, the choice of a particular hierarchy is only made when needed, thus allowing a more informed decision. Furthermore, testing the preconditions of the production rules is simple because the patterned way in which the struts are interconnected is incorporated into the topology of the hexagonal grid. A directed graph representation of assembly sequences allows the use of both graph search and backtracking control strategies.

  20. Impact of local symmetry breaking on the physical properties of tetrahedral liquids.

    Science.gov (United States)

    Shi, Rui; Tanaka, Hajime

    2018-02-27

    Water and silica are the most important materials with local tetrahedral symmetry. They have similar crystalline polymorphs and exhibit anomalous density maximum in the liquid state. However, water and silica also show very different characteristics. For instance, the density of water varies much more sharply than that of liquid silica near the maximum as temperature changes. More notably, silica is a very good glass-former, but water is an extremely poor one. The physical origins of these similarities and differences still remain elusive, due to the lack of a microscopic understanding of the structural ordering in these two important liquids. Here, by accessing microscopic structural information by computer simulations, we reveal that local translational symmetry breaking is responsible for the density anomalies. On the other hand, the difference in the degree of local orientational symmetry breaking between water and silica, which originates from the difference in their bonding nature, causes not only the difference in the sharpness of density anomalies, but also their distinct glass-forming abilities. Our work not only shows the crucial roles of local translational and orientational symmetry breaking in the physical properties of the two extremely important materials, water and silica, but also provides a unified scenario applicable for other tetrahedral liquids such as Si, Ge, C, BeF 2 , and GeO 2 .

  1. Evolution of stacking fault tetrahedral and work hardening effect in copper single crystals

    Science.gov (United States)

    Liu, Hai Tao; Zhu, Xiu Fu; Sun, Ya Zhou; Xie, Wen Kun

    2017-11-01

    Stacking fault tetrahedral (SFT), generated in machining of copper single crystal as one type of subsurface defects, has significant influence on the performance of workpiece. In this study, molecular dynamics (MD) simulation is used to investigate the evolution of stacking fault tetrahedral in nano-cutting of copper single crystal. The result shows that SFT is nucleated at the intersection of differently oriented stacking fault (SF) planes and SFT evolves from the preform only containing incomplete surfaces into a solid defect. The evolution of SFT contains several stress fluctuations until the complete formation. Nano-indentation simulation is then employed on the machined workpiece from nano-cutting, through which the interaction between SFT and later-formed dislocations in subsurface is studied. In the meanwhile, force-depth curves obtained from nano-indentation on pristine and machined workpieces are compared to analyze the mechanical properties. By simulation of nano-cutting and nano-indentation, it is verified that SFT is a reason of the work hardening effect.

  2. Deposit of thin films of nitrided amorphous carbon using the laser ablation technique; Deposito de peliculas delgadas de carbono amorfo nitrurado utilizando la tecnica de ablacion laser

    Energy Technology Data Exchange (ETDEWEB)

    Rebollo, P.B.; Escobar A, L.; Camps C, E. [Departamento de Fisica, Instituto Nacional de Investigaciones Nucleares, C.P. 52045 Salazar, Estado de Mexico (Mexico); Haro P, E.; Camacho L, M.A. [Departamento de Fisica, Universidad Autonoma Metropolitana Iztapalapa (Mexico); Muhl S, S. [Instituto de Investigacion en Materiales, UNAM (Mexico)

    2000-07-01

    It is reported the synthesis and characterization of thin films of amorphous carbon (a-C) nitrided, deposited by laser ablation in a nitrogen atmosphere at pressures which are from 4.5 x 10 {sup -4} Torr until 7.5 x 10 {sup -2} Torr. The structural properties of the films are studied by Raman spectroscopy obtaining similar spectra at the reported for carbon films type diamond. The study of behavior of the energy gap and the ratio nitrogen/carbon (N/C) in the films, shows that the energy gap is reduced when the nitrogen incorporation is increased. It is showed that the refraction index of the thin films diminish as nitrogen pressure is increased, indicating the formation of graphitic material. (Author)

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  4. Tetrahedral mesh generation of real terrain and topography effect on ERT image in Beishan region, Gansu province

    International Nuclear Information System (INIS)

    Lu Debao; Zhou Qiyou; Xiao Anlin; Song Zhen

    2014-01-01

    The paper starts from tetrahedral meshes generation of real terrain, a detailed way of tetradralization toward complicated terrain has been proposed based on comparing of advantage and disadvantage of several methods. DEM image has been used to help to generate tetrahedral mesh of research area. And then, forward soft Gmdata is used to calculate and analyze the topography effect on ERT Image with different kinds of terrain. Meanwhile, a quantitative way to define the topography effect was presented. Based on that, the method is used to eliminate the topography effect. The results show the method is effective and useful. (authors)

  5. A comparative chemical network study of HWCVD deposited amorphous silicon and carbon based alloys thin films

    Energy Technology Data Exchange (ETDEWEB)

    Swain, Bibhu P., E-mail: bibhuprasad.swain@gmail.com [Centre for Materials Science and Nanotechnology, Sikkim Manipal Institute of Technology, Majitar, Rangpo Sikkim (India); Swain, Bhabani S.; Hwang, Nong M. [Thin Films and Microstructure Laboratory, Department of Materials Science and Engineering, Seoul National University, Seoul (Korea, Republic of)

    2014-03-05

    Highlights: • a-SiC:H, a-SiN:H, a-C:H and a-SiCN:H films were deposited by hot wire chemical vapor deposition. • Evolution of microstructure of a-SiCN:H films deposited at different NH{sub 3} flow rate were analyzed. • The chemical network of Si and C based alloys were studied by FTIR and Raman spectroscopy. -- Abstract: Silicon and carbon based alloys were deposited by hot wire chemical vapor deposition (HWCVD). The microstructure and chemical bonding of these films were characterized by field emission scanning electron microscopy, Fourier transform infrared spectroscopy and Raman spectroscopy. The electron microscopy revealed various microstructures were observed for a-C:H, a-SiC:H, a-SiN:H, a-CN:H and a-SiCN:H films. The microstructure of SiN:H films showed agglomerate spherical grains while a-C:H films showed more fractal surface with branched microstructure. However, a-SiC:H, a-CN:H and a-SiCN:H indicated uniform but intermediate surface fractal microstructure. A series of a-SiCN:H films were deposited with variation of NH{sub 3} flow rate. The nitrogen incorporation in a-SiCN:H films alter the carbon network from sp{sup 2} to sp{sup 3} bonding The detail chemical bonding of amorphous films was analyzed by curve fitting method.

  6. 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

  7. Delaunay Tetrahedralization of the Heart Based on Integration of Open Source Codes

    International Nuclear Information System (INIS)

    Pavarino, E; Neves, L A; Machado, J M; Momente, J C; Zafalon, G F D; Pinto, A R; Valêncio, C R; Godoy, M F de; Shiyou, Y; Nascimento, M Z do

    2014-01-01

    The Finite Element Method (FEM) is a way of numerical solution applied in different areas, as simulations used in studies to improve cardiac ablation procedures. For this purpose, the meshes should have the same size and histological features of the focused structures. Some methods and tools used to generate tetrahedral meshes are limited mainly by the use conditions. In this paper, the integration of Open Source Softwares is presented as an alternative to solid modeling and automatic mesh generation. To demonstrate its efficiency, the cardiac structures were considered as a first application context: atriums, ventricles, valves, arteries and pericardium. The proposed method is feasible to obtain refined meshes in an acceptable time and with the required quality for simulations using FEM

  8. First-principles study of anharmonic phonon effects in tetrahedral semiconductors via an external electric field

    Energy Technology Data Exchange (ETDEWEB)

    Dabiri, Zohreh, E-mail: z.dabiri@stu.yazd.ac.ir [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of); Kazempour, Ali [Department of Physics, Payame Noor University, P.O. BOX 119395-3697, Tehran (Iran, Islamic Republic of); Nano Structured Coatings Institute of Yazd Payame Noor University, P.O. Code 89431-74559, Yazd (Iran, Islamic Republic of); Sadeghzadeh, Mohammad Ali [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

    2016-11-15

    The strength of phonon anharmonicity is investigated in the framework of the Density Functional Perturbation Theory via an applied constant electric field. In contrast to routine approaches, we have employed the electric field as an effective probe to quest after the quasi-harmonic and anharmonic effects. Two typical tetrahedral semiconductors (diamond and silicon) have been selected to test the efficiency of this approach. In this scheme the applied field is responsible for establishing the perturbation and also inducing the anharmonicity in systems. The induced polarization is a result of changing the electronic density while ions are located at their ground state coordinates or at a specified strain. Employing this method, physical quantities of the semiconductors are calculated in presence of the electron–phonon interaction directly and, phonon–phonon interaction, indirectly. The present approach, which is in good agreement with previous theoretical and experimental studies, can be introduced as a benchmark to simply investigate the anharmonicity and pertinent consequences in materials.

  9. Three-dimensional modeling of capsule implosions in OMEGA tetrahedral hohlraums

    International Nuclear Information System (INIS)

    Schnittman, J. D.; Craxton, R. S.

    2000-01-01

    Tetrahedral hohlraums have been proposed as a means for achieving the highly uniform implosions needed for ignition with inertial confinement fusion (ICF) [J. D. Schnittman and R. S. Craxton, Phys. Plasmas 3, 3786 (1996)]. Recent experiments on the OMEGA laser system have achieved good drive uniformity consistent with theoretical predictions [J. M. Wallace et al., Phys. Rev. Lett. 82, 3807 (1999)]. To better understand these experiments and future investigations of high-convergence ICF implosions, the three-dimensional (3-D) view-factor code BUTTERCUP has been expanded to model the time-dependent radiation transport in the hohlraum and the hydrodynamic implosion of the capsule. Additionally, a 3-D postprocessor has been written to simulate x-ray images of the imploded core. Despite BUTTERCUP's relative simplicity, its predictions for radiation drive temperatures, fusion yields, and core deformation show close agreement with experiment. (c) 2000 American Institute of Physics

  10. Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster.

    Science.gov (United States)

    Kastner, Katharina; Puscher, Bianka; Streb, Carsten

    2013-01-07

    We report the synthesis and characterization of a molecular barium vanadium oxide cluster featuring high nuclearity and high symmetry. The tetrameric, 2.3 nm cluster H(5)[Ba(10)(NMP)(14)(H(2)O)(8)[V(12)O(33)](4)Br] is based on a bromide-centred, octahedral barium scaffold which is capped by four previously unknown [V(12)O(33)](6-) clusters in a tetrahedral fashion. The compound represents the largest polyoxovanadate-based heterometallic cluster known to date. The cluster is formed in organic solution and it is suggested that the bulky N-methyl-2-pyrrolidone (NMP) solvent ligands allow the isolation of this giant molecule and prevent further condensation to a solid-state metal oxide. The cluster is fully characterized using single-crystal XRD, elemental analysis, ESI mass spectrometry and other spectroscopic techniques.

  11. Verification of the three-dimensional tetrahedral grid S{sub N} code THOR

    Energy Technology Data Exchange (ETDEWEB)

    Schunert, S. [Department of Nuclear Engineering, North Carolina State University (United States); Ferrer, R. [Studsvik Scandpower, Idaho Falls, ID (United States); Azmy, Y. [Department of Nuclear Engineering, North Carolina State University (United States)

    2013-07-01

    In this work current capabilities implemented in the novel, arbitrary-order, tetrahedral-grid short characteristics S{sub N} radiation transport code THOR are verified based on four benchmark problems: (1) A one-group Method of Manufactured Solution (MMS) problem on a cuboidal domain, (2) an infinite medium eigenvalue problem with up-scattering, (3) a homogeneous torus and (4) a bare cube eigenvalue problem with anisotropic scattering up to order three. The first benchmark problem exercises the various spatial discretization options available in THOR: The short characteristics method in conjunction with polynomial expansions of the source and face fluxes either using the complete or Lagrange family of arbitrary orders. Using the numerical solution's order of convergence test in the framework of a mesh refinement study, correct implementation of a selection of spatial expansion orders is demonstrated for two meshes with tetrahedral aspect ratios close to unity and 50. The second benchmark problem exercises the implementation of angular fluxes on reflective boundary faces that are implicit within a mesh sweep, and up-scattering. The third benchmark problem comprises cyclic dependencies within the mesh sweep thus exercising the algorithm devised for 'breaking' the cyclic dependencies. Finally, the fourth benchmark problem, a simple bare cube, is used to test correct implementation of the anisotropic scattering capability. For all test problems THOR obtains solutions that converge to the reference/exact solution with the expected rate thereby contributing to our confidence in the correctness of its tested features in the present implementation. (authors)

  12. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, N F; Sitek, A, E-mail: nfp4@bwh.harvard.ed, E-mail: asitek@bwh.harvard.ed [Department of Radiology, Brigham and Women' s Hospital-Harvard Medical School Boston, MA (United States)

    2010-09-21

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

  13. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    Science.gov (United States)

    Pereira, N. F.; Sitek, A.

    2010-09-01

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

  14. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    International Nuclear Information System (INIS)

    Pereira, N F; Sitek, A

    2010-01-01

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

  15. Results and simulations on γ-spectroscopy of deformed nuclei: cases of isomers and tetrahedral nuclei

    International Nuclear Information System (INIS)

    Vancraeyenest, A.

    2010-10-01

    The major part of this work is about the realization and complete analysis of an experiment for studying isomeric states in 138,139,140 Nd nuclei. This was performed at Jyvaeskylae laboratory (Finland) using a fusion-evaporation reaction with 48 Ca beam on a thin 96 Zr target. Experimental setup consisted in the target position gamma ray detector Jurogam II which was coupled with the RITU recoil separator and the GREAT focal plane detector array. This particularly well adapted setup permit to manage γ spectroscopy of the interest nuclei around isomeric states. Indeed, we used prompt-delayed matrices to separate rays that come onto isomeric states and these who decay from them. Then, the correlations between the two components permit to establish feeding transitions of isomeric states. Thanks to this experiment, a new isomeric state was also highlighted in 139 Nd with spin 23/2+, which was predicted and interpreted in Cranked-Nilsson-Strutinsky calculation. Finally, very clean time spectra allow to determine precisely life-time of four states in four nuclei. This Ph.d. is also made of a part of the analysis of the first experimental search for fingerprints of tetrahedral symmetry in 156 Gd using high fold gamma ray spectroscopy. Thanks to a large number of triple coincidence events, we managed a detailed spectroscopy of this nucleus. Particularly, we found out 13 new transitions in positive parity bands. As a complement of this work, we have done GEANT4 simulations about the detection limits of low intensity transitions by Agata multidetector. Indeed, tetrahedral symmetry predicts vanishing of E2 transitions at lower spin states and simulations permit to determine observation limit of these transitions with different version of Agata. (author)

  16. Amorphous titanium-oxide supercapacitors

    OpenAIRE

    Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko

    2016-01-01

    The electric capacitance of an amorphous TiO2-x surface increases proportionally to the negative sixth power of the convex diameter d. This occurs because of the van der Waals attraction on the amorphous surface of up to 7?mF/cm2, accompanied by extreme enhanced electron trapping resulting from both the quantum-size effect and an offset effect from positive charges at oxygen-vacancy sites. Here we show that a supercapacitor, constructed with a distributed constant-equipment circuit of large r...

  17. Intermediate-range structure of amorphous GeSe{sub 2} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Y. [Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Yamagata 990-8560 (Japan)], E-Mail: su105@kdeve.kj.yamagata-u.ac.jp; Usuki, T. [Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Yamagata 990-8560 (Japan); Sakurai, M. [Institute for Material Research, Tohoku University, Sendai 980-8577 (Japan); Kohara, S. [Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 769-5198 (Japan)

    2007-03-25

    Neutron and high-energy X-ray diffraction measurements have been carried out at KENS-KEK and SPring-8, in order to investigate detailed structures of amorphous GeSe{sub 2} prepared by the rapid quenching method. Considerable intermediate-range ordering is evident from the presence of a first sharp diffraction peak at low magnetides of the scattering vector. Well-defined first and second peaks are found at around 2.36 and 3.90 A in the pair distribution function g(r). A small shoulder related to the existence of edge-sharing tetrahedral units is observed at a shorter r side of the second peak in g(r). Partial distribution functions, partial structure factors and bond-angle distributions can be obtained by Reverse Monte Carlo simulation. Results suggest that there are homo-polar bonds in tetrahedral structural units, and then the glass network is constructed by not only corner-sharing but also edge-sharing tetrahedra.

  18. Production of amorphous alloys by ion implantation

    International Nuclear Information System (INIS)

    Grant, W.A.; Chadderton, L.T.; Johnson, E.

    1978-01-01

    Recent data are reported on the use of ion implantation to produce amorphous metallic alloys. In particular data on the dose dependence of the crystalline to amorphous transition induced by P + implantation of nickel is presented. (Auth.)

  19. 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.

  20. The asc trinodal platform: Two-step assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks

    KAUST Repository

    Schoedel, Alexander; Cairns, Amy; Belmabkhout, Youssef; Wojtas, Łukasz; Mohamed, Mona Hassan; Zhang, ZhenJie; Proserpio, Davide Maria; Eddaoudi, Mohamed; Zaworotko, Michael J.

    2013-01-01

    The self-assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks affords the first example of a trinodal family of metal-organic materials. Four examples of isoreticular expanded and functionalized frameworks are detailed. Gas adsorption experiments validated the permanent porosity of the parent structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The asc trinodal platform: Two-step assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks

    KAUST Repository

    Schoedel, Alexander

    2013-02-10

    The self-assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks affords the first example of a trinodal family of metal-organic materials. Four examples of isoreticular expanded and functionalized frameworks are detailed. Gas adsorption experiments validated the permanent porosity of the parent structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Amorphous titanium-oxide supercapacitors

    Science.gov (United States)

    Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko

    2016-10-01

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

  3. Radiation tolerance of amorphous semiconductors

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  4. 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)

  5. 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...

  6. 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.

  7. Spectroscopic properties of nitrogen doped hydrogenated amorphous carbon films grown by radio frequency plasma-enhanced chemical vapor deposition

    International Nuclear Information System (INIS)

    Hayashi, Y.; Yu, G.; Rahman, M. M.; Krishna, K. M.; Soga, T.; Jimbo, T.; Umeno, M.

    2001-01-01

    Nitrogen doped hydrogenated amorphous carbon thin films have been deposited by rf plasma-enhanced chemical vapor deposition using CH 4 as the source of carbon and with different nitrogen flow rates (N 2 /CH 4 gas ratios between 0 and 3), at 300 K. The dependence modifications of the optical and the structural properties on nitrogen incorporation were investigated using different spectroscopic techniques, such as, Raman spectroscopy, Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy, ultraviolet-visible (UV-VIS) spectroscopy, electron spin resonance (ESR), photoluminescence (PL) and spectroscopic ellipsometry (SE). Raman spectroscopy and IR absorption reveal an increase in sp 2 -bonded carbon or a change in sp 2 domain size with increasing nitrogen flow rate. It is found that the configuration of nitrogen atoms incorporated into an amorphous carbon network gradually changes from nitrogen atoms surrounded by three (σ bonded) to two (π bonded) neighboring carbons with increasing nitrogen flow rate. Tauc optical gap is reduced from 2.6 to 2.0 eV, and the ESR spin density and the peak-to-peak linewidth increase sharply with increasing nitrogen flow rate. Excellent agreement has been found between the measured SE data and modeled spectra, in which an empirical dielectric function of amorphous materials and a linear void distribution along the thickness have been assumed. The influence of nitrogen on the electronic density of states is explained based on the optical properties measured by UV-VIS and PL including nitrogen lone pair band. [copyright] 2001 American Institute of Physics

  8. 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

  9. Cause and Cure - Deterioration in Accuracy of CFD Simulations With Use of High-Aspect-Ratio Triangular Tetrahedral Grids

    Science.gov (United States)

    Chang, Sin-Chung; Chang, Chau-Lyan; Venkatachari, Balaji Shankar

    2017-01-01

    Traditionally high-aspect ratio triangular/tetrahedral meshes are avoided by CFD re-searchers in the vicinity of a solid wall, as it is known to reduce the accuracy of gradient computations in those regions and also cause numerical instability. Although for certain complex geometries, the use of high-aspect ratio triangular/tetrahedral elements in the vicinity of a solid wall can be replaced by quadrilateral/prismatic elements, ability to use triangular/tetrahedral elements in such regions without any degradation in accuracy can be beneficial from a mesh generation point of view. The benefits also carry over to numerical frameworks such as the space-time conservation element and solution element (CESE), where triangular/tetrahedral elements are the mandatory building blocks. With the requirement of the CESE method in mind, a rigorous mathematical framework that clearly identities the reason behind the difficulties in use of such high-aspect ratio triangular/tetrahedral elements is presented here. As will be shown, it turns out that the degree of accuracy deterioration of gradient computation involving a triangular element is hinged on the value of its shape factor Gamma def = sq sin Alpha1 + sq sin Alpha2 + sq sin Alpha3, where Alpha1; Alpha2 and Alpha3 are the internal angles of the element. In fact, it is shown that the degree of accuracy deterioration increases monotonically as the value of Gamma decreases monotonically from its maximal value 9/4 (attained by an equilateral triangle only) to a value much less than 1 (associated with a highly obtuse triangle). By taking advantage of the fact that a high-aspect ratio triangle is not necessarily highly obtuse, and in fact it can have a shape factor whose value is close to the maximal value 9/4, a potential solution to avoid accuracy deterioration of gradient computation associated with a high-aspect ratio triangular grid is given. Also a brief discussion on the extension of the current mathematical framework to the

  10. Amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.; Smith, Casey; Hussain, Muhammad Mustafa

    2013-01-01

    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.

  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. 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

  13. Magnetic excitations in amorphous ferromagnets

    International Nuclear Information System (INIS)

    Continentino, M.A.

    The propagation of magnetic excitations in amorphous ferromagnets is studied from the point of view of the theory of random frequency modulation. It is shown that the spin waves in the hydrodynamic limit are well described by perturbation theory while the roton-like magnetic excitations with wavevector about the peak in the structure factor are not. A criterion of validity of perturbation theory is found which is identical to a narrowing condition in magnetic resonance. (author) [pt

  14. Molecular dinamics of tetrahedral clelate compounds of Cd(2) in solutions

    International Nuclear Information System (INIS)

    Nivorozhkin, L.E.; Minkin, V.I.; Borisenko, N.I.; Konstantinovskij, L.E.; Korobov, M.S.; Olekhnovich, R.Ya.

    1981-01-01

    Interconversion kinetics of enantiomers of tetrahedral intracomplex compounds of metals (ICM) on the base of unsymmetric ligands in solu-- tions is studied for several series of compounds according to the temperature dependence of the shape of line of prochiral substituents using the methods of the dynamic NMR (DNMR). The use of tetracoordinated ICM in the solutions of synthesized compounds of Cd(2) with the inclusion of magnetic isotope 111 Cd(S=1/2) to study molecular dynamics and the application of the corresponding methods of calculation of the DNMR signal forms permitted to clearly separate the mechanisms of digonal twist and degenerated ligand exchange. In ICM solutions the low-barrier transformations, connected with intramolecular digonal twist, take place as well as high-barrier processes of degenerated ligand exchange. The technique suggested can be applied to the studies of ICM molecular dynamics with other magnetic isotopes of metals ( 207 Pb, 199 Hg, etc.) and rapid non-degenerated ligand exchanges [ru

  15. Tetrahedral node for Transmission-Line Modeling (TLM) applied to Bio-heat Transfer.

    Science.gov (United States)

    Milan, Hugo F M; Gebremedhin, Kifle G

    2016-12-01

    Transmission-Line Modeling (TLM) is a numerical method used to solve complex and time-domain bio-heat transfer problems. In TLM, parallelepipeds are used to discretize three-dimensional problems. The drawback in using parallelepiped shapes is that instead of refining only the domain of interest, a large additional domain would also have to be refined, which results in increased computational time and memory space. In this paper, we developed a tetrahedral node for TLM applied to bio-heat transfer that does not have the drawback associated with the parallelepiped node. The model includes heat source, blood perfusion, boundary conditions and initial conditions. The boundary conditions could be adiabatic, temperature, heat flux, or convection. The predicted temperature and heat flux were compared against results from an analytical solution and the results agreed within 2% for a mesh size of 69,941 nodes and a time step of 5ms. The method was further validated against published results of maximum skin-surface temperature difference in a breast with and without tumor and the results agreed within 6%. The published results were obtained from a model that used parallelepiped TLM node. An open source software, TLMBHT, was written using the theory developed herein and is available for download free-of-charge. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Ordering principles for tetrahedral chains in Ga- and Co-substituted YBCO intergrowths

    International Nuclear Information System (INIS)

    Milat, O.; Krekels, T.; Tendeloo, G. van; Amelinckx, S.

    1993-01-01

    A model for superstructure ordering in the ''chain'' layers of Ga (Co) substituted YBCO intergrowths with general formula (REO 2 ) N Sr 2 MCu 2 O 5 (M Co, Ga; n = 1, 2, ..) is proposed. By Ga or Co substitution for Cu, the structure of the ''chain'' layer changes: instead of the CuO 4 planar squares, the chains consist of MO 4 tetrahedra (M = Ga, Co) running along the [110] perovskite direction. The existing model for the Ga substituted ''123'' implies that all the chains are the same. Our new model is based on the results of Electron diffraction and High-resolution electron microscopy investigations. The model reveals the occurene of two types of chains as a consequence of ''opposite'' ordering between neighbouring tetrahedra. The corner linked tetrahedra in each chain appear as alternatingly rotated in opposite sense, and a chain itself, as being displaced with respect to the underlying structure in one of two senses; either forth (right) or back (left) along the chain direction. The regular alternation of chains of opposite type doubles the periodicity within a layer and induces the possibility for intrinsic disorder in the chain layer stacking sequence. The planar superstructure and a staggered stacking of the tetrahedral chain layers is found irrespective of the rest of the intergrowth structure. Superstructure ordering in the case of Co substitution is more perfect than for the Ga substitution. (orig.)

  17. A Rac1--GDP trimer complex binds zinc with tetrahedral and octahedral coordination, displacing magnesium

    Energy Technology Data Exchange (ETDEWEB)

    Prehna, G.; Stebbins, C

    2007-01-01

    The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3221 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

  18. A Rac1-GDP Trimer Complex Binds Zinc with Tetrahedral and Octahedral Coordination, Displacing Magnesium

    Energy Technology Data Exchange (ETDEWEB)

    Prehna,G.; Stebbins, E.

    2007-01-01

    The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3{sub 2}21 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

  19. Insights into Substrate Specificity and Metal Activation of Mammalian Tetrahedral Aspartyl Aminopeptidase

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yuanyuan; Farquhar, Erik R.; Chance, Mark R.; Palczewski, Krzysztof; Kiser, Philip D. (Case Western)

    2012-07-11

    Aminopeptidases are key enzymes involved in the regulation of signaling peptide activity. Here, we present a detailed biochemical and structural analysis of an evolutionary highly conserved aspartyl aminopeptidase called DNPEP. We show that this peptidase can cleave multiple physiologically relevant substrates, including angiotensins, and thus may play a key role in regulating neuron function. Using a combination of x-ray crystallography, x-ray absorption spectroscopy, and single particle electron microscopy analysis, we provide the first detailed structural analysis of DNPEP. We show that this enzyme possesses a binuclear zinc-active site in which one of the zinc ions is readily exchangeable with other divalent cations such as manganese, which strongly stimulates the enzymatic activity of the protein. The plasticity of this metal-binding site suggests a mechanism for regulation of DNPEP activity. We also demonstrate that DNPEP assembles into a functionally relevant tetrahedral complex that restricts access of peptide substrates to the active site. These structural data allow rationalization of the enzyme's preference for short peptide substrates with N-terminal acidic residues. This study provides a structural basis for understanding the physiology and bioinorganic chemistry of DNPEP and other M18 family aminopeptidases.

  20. Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

    Science.gov (United States)

    Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

    2018-04-01

    The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

  1. Split-Cell Exponential Characteristic Transport Method for Unstructured Tetrahedral Meshes

    International Nuclear Information System (INIS)

    Brennan, Charles R.; Miller, Rodney L.; Mathews, Kirk A.

    2001-01-01

    The nonlinear, exponential characteristic (EC) method is extended to unstructured meshes of tetrahedral cells in three-dimensional Cartesian coordinates. The split-cell approach developed for the linear characteristic (LC) method on such meshes is used. Exponential distributions of the source within a cell and of the inflow flux on upstream faces of the cell are assumed. The coefficients of these distributions are determined by nonlinear root solving so as to match the zeroth and first moments of the source or entering flux. Good conditioning is achieved by casting the formulas for the moments of the source, inflow flux, and solution flux as sums of positive functions and by using accurate and robust algorithms for evaluation of those functions. Various test problems are used to compare the performance of the EC and LC methods. The EC method is somewhat less accurate than the LC method in regions of net out leakage but is strictly positive and retains good accuracy with optically thick cells, as in shielding problems, unlike the LC method. The computational cost per cell is greater for the EC method, but the use of substantially coarser meshes can make the EC method less expensive in total cost. The EC method, unlike the LC method, may fail if negative cross sections or angular quadrature weights are used. It is concluded that the EC and LC methods should be practical, reliable, and complimentary schemes for these meshes

  2. Magnetic Grüneisen parameter and magnetocaloric properties of a coupled spin–electron double-tetrahedral chain

    International Nuclear Information System (INIS)

    Gálisová, Lucia; Strečka, Jozef

    2015-01-01

    Magnetocaloric effect in a double-tetrahedral chain, in which nodal lattice sites occupied by the localized Ising spins regularly alternate with three equivalent lattice sites available for mobile electrons, is exactly investigated by considering the one-third electron filling and the ferromagnetic Ising exchange interaction between the mobile electrons and their nearest Ising neighbours. The entropy and the magnetic Grüneisen parameter, which closely relate to the magnetocaloric effect, are exactly calculated in order to investigate the relation between the ground-state degeneracy and the cooling efficiency of the hybrid spin–electron system during the adiabatic demagnetization. - Highlights: • A double-tetrahedral chain of mobile electrons and localized Ising spins is studied. • Magnetic Grüneisen parameter for the system is exactly derived. • Macroscopically degenerate phases FRU and FM constitute the ground state. • MCE is three times higher nearby FRU–FM transition than in FRU phase at small fields

  3. 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.

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

    KAUST Repository

    Chaieb, Saharoui; Mughal, Asad Jahangir

    2015-01-01

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

  5. Interacting spin-1/2 tetrahedral system Cu2Te2O5X2 (X = Cl, Br)

    DEFF Research Database (Denmark)

    Jensen, Jens

    2009-01-01

    Magnetic ordering and excitations of Cu2Te2O5Cl2 are analyzed in terms of a tetramerized spin model for the tetrahedral Cu clusters of spin 1/2. The mean-field model is able to account for the main properties of the incommensurable magnetic structure observed by Zaharko et al. [Phys. Rev. B 73......-dimensional fashion. Preliminary model calculations for the Cu2Te2O5Br2 system lead to the same conclusion. Udgivelsesdato: 7. Januar...

  6. Simultaneous travel time tomography for updating both velocity and reflector geometry in triangular/tetrahedral cell model

    Science.gov (United States)

    Bai, Chao-ying; He, Lei-yu; Li, Xing-wang; Sun, Jia-yu

    2018-05-01

    To conduct forward and simultaneous inversion in a complex geological model, including an irregular topography (or irregular reflector or velocity anomaly), we in this paper combined our previous multiphase arrival tracking method (referred as triangular shortest-path method, TSPM) in triangular (2D) or tetrahedral (3D) cell model and a linearized inversion solver (referred to as damped minimum norms and constrained least squares problem solved using the conjugate gradient method, DMNCLS-CG) to formulate a simultaneous travel time inversion method for updating both velocity and reflector geometry by using multiphase arrival times. In the triangular/tetrahedral cells, we deduced the partial derivative of velocity variation with respective to the depth change of reflector. The numerical simulation results show that the computational accuracy can be tuned to a high precision in forward modeling and the irregular velocity anomaly and reflector geometry can be accurately captured in the simultaneous inversion, because the triangular/tetrahedral cell can be easily used to stitch the irregular topography or subsurface interface.

  7. 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.

  8. Amorphization of ceramics by ion beams

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  9. 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

  10. Simple shearing flow of dry soap foams with tetrahedrally close-packed structure

    Energy Technology Data Exchange (ETDEWEB)

    Reinelt, Douglas A. [Department of Mathematics, Southern Methodist University, Dallas, Texas 75275-0156 (United States); Kraynik, Andrew M. [Engineering Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87185-0834 (United States)

    2000-05-01

    The microrheology of dry soap foams subjected to quasistatic, simple shearing flow is analyzed. Two different monodisperse foams with tetrahedrally close-packed (TCP) structure are examined: Weaire-Phelan (A15) and Friauf-Laves (C15). The elastic-plastic response is evaluated by using the Surface Evolver to calculate foam structures that minimize total surface area at each value of strain. The foam geometry and macroscopic stress are piecewise continuous functions of strain. The stress scales as T/V{sup 1/3}, where T is surface tension and V is cell volume. Each discontinuity corresponds to large changes in foam geometry and topology that restore equilibrium to unstable configurations that violate Plateau's laws. The instabilities occur when the length of an edge on a polyhedral foam cell vanishes. The length can tend to zero smoothly or abruptly with strain. The abrupt case occurs when a small increase in strain changes the energy profile in the neighborhood of a foam structure from a local minimum to a saddle point, which can lead to symmetry-breaking bifurcations. In general, the new structure associated with each stable solution branch results from an avalanche of local topology changes called T1 transitions. Each T1 cascade produces different cell neighbors, reduces surface energy, and provides an irreversible, film-level mechanism for plastic yield behavior. Stress-strain curves and average stresses are evaluated by examining foam orientations that admit strain-periodic behavior. For some orientations, the deformation cycle includes Kelvin cells instead of the original TCP structure; but the foam does not remain perfectly ordered. Bifurcations during subsequent T1 cascades lead to disorder and can even cause strain localization. (c) 2000 Society of Rheology.

  11. The use of tetrahedral mesh geometries in Monte Carlo simulation of applicator based brachytherapy dose distributions

    International Nuclear Information System (INIS)

    Fonseca, Gabriel Paiva; Yoriyaz, Hélio; Landry, Guillaume; White, Shane; Reniers, Brigitte; Verhaegen, Frank; D’Amours, Michel; Beaulieu, Luc

    2014-01-01

    Accounting for brachytherapy applicator attenuation is part of the recommendations from the recent report of AAPM Task Group 186. To do so, model based dose calculation algorithms require accurate modelling of the applicator geometry. This can be non-trivial in the case of irregularly shaped applicators such as the Fletcher Williamson gynaecological applicator or balloon applicators with possibly irregular shapes employed in accelerated partial breast irradiation (APBI) performed using electronic brachytherapy sources (EBS). While many of these applicators can be modelled using constructive solid geometry (CSG), the latter may be difficult and time-consuming. Alternatively, these complex geometries can be modelled using tessellated geometries such as tetrahedral meshes (mesh geometries (MG)). Recent versions of Monte Carlo (MC) codes Geant4 and MCNP6 allow for the use of MG. The goal of this work was to model a series of applicators relevant to brachytherapy using MG. Applicators designed for 192 Ir sources and 50 kV EBS were studied; a shielded vaginal applicator, a shielded Fletcher Williamson applicator and an APBI balloon applicator. All applicators were modelled in Geant4 and MCNP6 using MG and CSG for dose calculations. CSG derived dose distributions were considered as reference and used to validate MG models by comparing dose distribution ratios. In general agreement within 1% for the dose calculations was observed for all applicators between MG and CSG and between codes when considering volumes inside the 25% isodose surface. When compared to CSG, MG required longer computation times by a factor of at least 2 for MC simulations using the same code. MCNP6 calculation times were more than ten times shorter than Geant4 in some cases. In conclusion we presented methods allowing for high fidelity modelling with results equivalent to CSG. To the best of our knowledge MG offers the most accurate representation of an irregular APBI balloon applicator. (paper)

  12. 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

  13. Inelastic scattering from amorphous solids

    International Nuclear Information System (INIS)

    Price, D.L.

    1985-08-01

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

  14. Physical characterization of sputter-deposited amorphous tungsten oxynitride thin films

    Energy Technology Data Exchange (ETDEWEB)

    Nunez, O.R.; Moreno Tarango, A.J. [Department of Mechanical Engineering, University of Texas at El Paso, El Paso, TX 79968 (United States); Murphy, N.R. [Air Force Research Laboratory, Materials and Manufacturing Directorate, Wright-Patterson Air Force Base (WPAFB), Dayton, OH 45433 (United States); Phinney, L.C.; Hossain, K. [Amethyst Research Inc., 123 Case Circle, Ardmore, OK 73401 (United States); Ramana, C.V., E-mail: rvchintalapalle@utep.edu [Department of Mechanical Engineering, University of Texas at El Paso, El Paso, TX 79968 (United States)

    2015-12-01

    Tungsten oxynitride (W–O–N) thin films were deposited onto silicon (100) and quartz substrates using direct current (DC) sputtering. Composition variations in the W–O–N films were obtained by varying the nitrogen gas flow rate from 0 to 20 sccm, while keeping the total gas flow constant at 40 sccm using 20 sccm of argon with the balance comprised of oxygen. The resulting crystallinity, optical properties, and chemical composition of the DC sputtered W–O–N films were evaluated. All the W–O–N films measured were shown to be amorphous using X-ray diffraction. Spectrophotometry results indicate that the optical parameters, namely, the transmission magnitude and band gap (E{sub g}), are highly dependent on the nitrogen content in the reactive gas mixture. Within the W–O–N system, E{sub g} was able to be precisely tailored between 2.9 eV and 1.9 eV, corresponding to fully stoichiometric WO{sub 3} and highly nitrided W–O–N, respectively. Rutherford backscattering spectrometry (RBS) coupled with X-ray photoelectron spectroscopy (XPS) measurements indicate that the composition of the films varies from WO{sub 3} to W–O–N composite oxynitride films. - Highlights: • W–O–N films of ~ 100 nm thick were sputter-deposited by varying nitrogen gas flow rate. • Nitrogen incorporation into W-oxide is effective at or after 9 sccm flow rate of nitrogen. • The band gap significantly decreases from ~ 3.0 eV to ~ 2.1 eV with progressive increase in nitrogen content. • A composite oxide-semiconductor of W–O–N is proposed to explain the optical properties.

  15. Tribological properties of nitrogen-containing amorphous carbon film produced by dc plasma chemical vapor deposition

    International Nuclear Information System (INIS)

    Zhang Wei; Wazumi, Koichiro; Tanaka, Akihiro; Koga, Yoshinori

    2003-01-01

    The nitrogen-contained amorphous carbon (a-C:N) films were deposited in a dc plasma chemical vapor deposition system with different substrate bias voltages. The structural, mechanical, and tribological properties of the a-C:N films were investigated. The influence of the bias voltage on the tribological behaviors of the a-C:N films was evaluated under various environments (dry air, O 2 , N 2 , and vacuum) using a ball-on-disk friction tester. It showed that the sp 3 C and hydrogen concentration of the a-C:N films decreases with increasing the bias voltage. However, the nitrogen concentration increases with increasing the bias voltage. As a result, the hardness and internal stress decrease and the critical load for fracturing increases as the substrate bias increases. For the tribological properties of the a-C:N films, the friction coefficient of the films slightly decreases in the environments of N 2 , O 2 , or dry air, but increases slightly in the vacuum environment by increasing the bias voltage. It indicates that the incorporated nitrogen in the a-C:N films would decrease the friction coefficient of the films in N 2 or O 2 environments, but slightly increases the friction coefficient of the films in a vacuum. The excellent wear resistance of the a-C:N films, in the level of 10 -9 -10 -8 mm 3 /Nm, can be observed in N 2 , vacuum, and dry air environments. In addition, the effect of the bias voltage on the wear rate of the a-C:N films becomes less obvious by nitrogen incorporation. So, we suggest the incorporated nitrogen, which bonded to carbon and restrained the increase of the fraction of sp 2 C-C, would restrain the wear of the a-C:N films in different environments, especially in dry air

  16. Photoexcitation-induced processes in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-07-30

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

  17. 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

  18. Challenges in amorphous silicon solar cell technology

    NARCIS (Netherlands)

    Swaaij, van R.A.C.M.M.; Zeman, M.; Korevaar, B.A.; Smit, C.; Metselaar, J.W.; Sanden, van de M.C.M.

    2000-01-01

    Hydrogenated amorphous silicon is nowadays extensively used for a range of devices, amongst others solar cells, Solar cell technology has matured over the last two decades and resulted in conversion efficiencies in excess of 15%. In this paper the operation of amorphous silicon solar cells is

  19. Photoconductivity of amorphous silicon-rigorous modelling

    International Nuclear Information System (INIS)

    Brada, P.; Schauer, F.

    1991-01-01

    It is our great pleasure to express our gratitude to Prof. Grigorovici, the pioneer of the exciting field of amorphous state by our modest contribution to this area. In this paper are presented the outline of the rigorous modelling program of the steady-state photoconductivity in amorphous silicon and related materials. (Author)

  20. 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

  1. 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

  2. Surface charges and Np(V) sorption on amorphous Al- and Fe- silicates

    International Nuclear Information System (INIS)

    Del Nero, M.; Assada, A.; Barillon, R.; Duplatre, G.; Made, B.

    2005-01-01

    Full text of publication follows: Sorption onto Si-rich alteration layers of crystalline minerals and nuclear glasses, and onto amorphous secondary silicates of rocks and soils, are expected to retard the migration of actinides in the near- and far-field of HLW repositories. We present experimental and modeling studies on the effects of silicate structure and bulk chemistry, and of solution chemistry, on charges and adsorption of neptunyl ions at surfaces of synthetic, amorphous or poorly ordered silica, Al-silicates and Fe-silicates. The Al-silicates display similar pH-dependent surface charges characterized by predominant Si-O - Si sites, and similar surface affinities for neptunyl ions, irrespective to their Si/Al molar ratio (varying from 10 to 4.3). Such experimental features are explained by incorporation of Al atoms in tetrahedral position in the silicate lattice, leading to only trace amounts of high-affinity Al-OH surface groups due to octahedral Al. By contrast, the structure of the Fe-silicates ensures the occurrence of high-affinity Fe-OH surface groups, whose concentration is shown by proton adsorption measurements to increase with decreasing of the silicate Si/Fe molar ratio (from 10 to 2.3). Nevertheless, experimental data of the adsorption of neptunyl and electrolyte ions show unexpectedly weak effect of the Si/Fe ratio, and suggest predominant Si-OH surface groups. A possible explanation is that aqueous silicate anions, released by dissolution, adsorb at OH Fe - surface groups and / or precipitate as silica gel coatings, because experimental solutions were found at near-equilibrium with respect to amorphous silica. Therefore, the environmental sorption of Np(V) onto Si-rich, amorphous or poorly ordered Al-silicates may primarily depend on pH and silicate specific surface areas, given the low overall chemical affinity of such phases for dissolved metals. By contrast, the sorption of Np(V) on natural, amorphous or poorly ordered Fe-silicates may be a

  3. Neutron irradiation induced amorphization of silicon carbide

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  4. Structure, thermodynamics, and crystallization of amorphous hafnia

    International Nuclear Information System (INIS)

    Luo, Xuhui; Demkov, Alexander A.

    2015-01-01

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

  5. Amorphous chalcogenides as random octahedrally bonded solids: I. Implications for the first sharp diffraction peak, photodarkening, and Boson peak

    Science.gov (United States)

    Lukyanov, Alexey; Lubchenko, Vassiliy

    2017-09-01

    We develop a computationally efficient algorithm for generating high-quality structures for amorphous materials exhibiting distorted octahedral coordination. The computationally costly step of equilibrating the simulated melt is relegated to a much more efficient procedure, viz., generation of a random close-packed structure, which is subsequently used to generate parent structures for octahedrally bonded amorphous solids. The sites of the so-obtained lattice are populated by atoms and vacancies according to the desired stoichiometry while allowing one to control the number of homo-nuclear and hetero-nuclear bonds and, hence, effects of the mixing entropy. The resulting parent structure is geometrically optimized using quantum-chemical force fields; by varying the extent of geometric optimization of the parent structure, one can partially control the degree of octahedrality in local coordination and the strength of secondary bonding. The present methodology is applied to the archetypal chalcogenide alloys AsxSe1-x. We find that local coordination in these alloys interpolates between octahedral and tetrahedral bonding but in a non-obvious way; it exhibits bonding motifs that are not characteristic of either extreme. We consistently recover the first sharp diffraction peak (FSDP) in our structures and argue that the corresponding mid-range order stems from the charge density wave formed by regions housing covalent and weak, secondary interactions. The number of secondary interactions is determined by a delicate interplay between octahedrality and tetrahedrality in the covalent bonding; many of these interactions are homonuclear. The present results are consistent with the experimentally observed dependence of the FSDP on arsenic content, pressure, and temperature and its correlation with photodarkening and the Boson peak. They also suggest that the position of the FSDP can be used to infer the effective particle size relevant for the configurational equilibration in

  6. Locomotion of Amorphous Surface Robots

    Science.gov (United States)

    Bradley, Arthur T. (Inventor)

    2018-01-01

    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.

  7. LiBSi2: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels.

    Science.gov (United States)

    Zeilinger, Michael; van Wüllen, Leo; Benson, Daryn; Kranak, Verina F; Konar, Sumit; Fässler, Thomas F; Häussermann, Ulrich

    2013-06-03

    Silicon swallows up boron: The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi2 was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels (see picture). LiBSi2 is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts.

  8. LiBSi{sub 2}: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels

    Energy Technology Data Exchange (ETDEWEB)

    Zeilinger, Michael; Faessler, Thomas F. [Department of Chemistry, Technische Universitaet Muenchen, Garching (Germany); Wuellen, Leo van [Department of Physics, University of Augsburg (Germany); Benson, Daryn [Department of Physics, Arizona State University, Tempe, AZ (United States); Kranak, Verina F.; Konar, Sumit; Haeussermann, Ulrich [Department of Materials and Environmental Chemistry, Stockholm University (Sweden)

    2013-06-03

    Silicon swallows up boron. The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi{sub 2} was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels. LiBSi{sub 2} is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-30

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

  10. Crystalline to amorphous transformation in silicon

    International Nuclear Information System (INIS)

    Cheruvu, S.M.

    1982-09-01

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

  11. 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.

  12. Synthesis of amorphous acid iron phosphate nanoparticles

    International Nuclear Information System (INIS)

    Palacios, E.; Leret, P.; Fernández, J. F.; Aza, A. H. De; Rodríguez, M. A.

    2012-01-01

    A simple method to precipitate nanoparticles of iron phosphate with acid character has been developed in which the control of pH allows to obtain amorphous nanoparticles. The acid aging of the precipitated amorphous nanoparticles favored the P–O bond strength that contributes to the surface reordering, the surface roughness and the increase of the phosphate acid character. The thermal behavior of the acid iron phosphate nanoparticles has been also studied and the phosphate polymerization at 400 °C produces strong compacts of amorphous nanoparticles with interconnected porosity.

  13. Structure of a new dense amorphous ice

    International Nuclear Information System (INIS)

    Finney, J.L.; Bowron, D.T.; Soper, A.K.; Loerting, T.; Mayer, E.; Hallbrucker, A.

    2002-01-01

    The detailed structure of a new dense amorphous ice, VHDA, is determined by isotope substitution neutron diffraction. Its structure is characterized by a doubled occupancy of the stabilizing interstitial location that was found in high density amorphous ice, HDA. As would be expected for a thermally activated unlocking of the stabilizing 'interstitial', the transition from VHDA to LDA (low-density amorphous ice) is very sharp. Although its higher density makes VHDA a better candidate than HDA for a physical manifestation of the second putative liquid phase of water, as for the HDA case, the VHDA to LDA transition also appears to be kinetically controlled

  14. Peculiarities of Vibration Characteristics of Amorphous Ices

    Science.gov (United States)

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

    2012-03-01

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

  15. The Case for Tetrahedral Oxy-subhydride (TOSH Structures in the Exclusion Zones of Anchored Polar Solvents Including Water

    Directory of Open Access Journals (Sweden)

    Klaus Oehr

    2014-11-01

    Full Text Available We hypothesize a mechanistic model of how negatively-charged exclusion zones (EZs are created. While the growth of EZs is known to be associated with the absorption of ambient photonic energy, the molecular dynamics giving rise to this process need greater elucidation. We believe they arise due to the formation of oxy-subhydride structures (OH−(H2O4 with a tetrahedral (sp3 (OH−(H2O3 core. Five experimental data sets derived by previous researchers were assessed in this regard: (1 water-derived EZ light absorbance at specific infrared wavelengths, (2 EZ negative potential in water and ethanol, (3 maximum EZ light absorbance at 270 nm ultraviolet wavelength, (4 ability of dimethyl sulphoxide but not ether to form an EZ, and (5 transitory nature of melting ice derived EZs. The proposed tetrahedral oxy-subhydride structures (TOSH appear to adequately account for all of the experimental evidence derived from water or other polar solvents.

  16. 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 %).

  17. 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.

  18. Amorphous uranium alloy and use thereof

    International Nuclear Information System (INIS)

    Gambino, R.J.; McElfresh, M.W.; McGuire, T.R.; Plaskett, T.S.

    1991-01-01

    An amorphous alloy containing uranium and a member selected from the group N, P, As, Sb, Bi, S, Se, Te, Po and mixtures thereof; and use thereof for storage medium, light modulator or optical isolator. (author) figs

  19. Magnetomechanical coupling in thermal amorphous solids

    Science.gov (United States)

    Hentschel, H. George E.; Ilyin, Valery; Mondal, Chandana; Procaccia, Itamar

    2018-05-01

    Standard approaches to magnetomechanical interactions in thermal magnetic crystalline solids involve Landau functionals in which the lattice anisotropy and the resulting magnetization easy axes are taken explicitly into account. In glassy systems one needs to develop a theory in which the amorphous structure precludes the existence of an easy axis, and in which the constituent particles are free to respond to their local amorphous surroundings and the resulting forces. We present a theory of all the mixed responses of an amorphous solid to mechanical strains and magnetic fields. Atomistic models are proposed in which we test the predictions of magnetostriction for both bulk and nanofilm amorphous samples in the paramagnetic phase. The application to nanofilms with emergent self-affine free interfaces requires a careful definition of the film "width" and its change due to the magnetostriction effect.

  20. Using containerless methods to develop amorphous pharmaceuticals.

    Science.gov (United States)

    Weber, J K R; Benmore, C J; Suthar, K J; Tamalonis, A J; Alderman, O L G; Sendelbach, S; Kondev, V; Yarger, J; Rey, C A; Byrn, S R

    2017-01-01

    Many pipeline drugs have low solubility in their crystalline state and require compounding in special dosage forms to increase bioavailability for oral administration. The use of amorphous formulations increases solubility and uptake of active pharmaceutical ingredients. These forms are rapidly gaining commercial importance for both pre-clinical and clinical use. Synthesis of amorphous drugs was performed using an acoustic levitation containerless processing method and spray drying. The structure of the products was investigated using in-situ high energy X-ray diffraction. Selected solvents for processing drugs were investigated using acoustic levitation. The stability of amorphous samples was measured using X-ray diffraction. Samples processed using both spray drying and containerless synthesis were compared. We review methods for making amorphous pharmaceuticals and present data on materials made by containerless processing and spray drying. It was shown that containerless processing using acoustic levitation can be used to make phase-pure forms of drugs that are known to be difficult to amorphize. The stability and structure of the materials was investigated in the context of developing and making clinically useful formulations. Amorphous compounds are emerging as an important component of drug development and for the oral delivery of drugs with low solubility. Containerless techniques can be used to efficiently synthesize small quantities of pure amorphous forms that are potentially useful in pre-clinical trials and for use in the optimization of clinical products. Developing new pharmaceutical products is an essential enterprise to improve patient outcomes. The development and application of amorphous pharmaceuticals to increase absorption is rapidly gaining importance and it provides opportunities for breakthrough research on new drugs. There is an urgent need to solve problems associated with making formulations that are both stable and that provide high

  1. 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

  2. Immobilization technology for krypton in amorphous zeolite

    International Nuclear Information System (INIS)

    Takusagawa, Atsushi; Ishiyama, Keiichi

    1989-01-01

    Radioactive krypton recovered from the offgas of a reprocessing plant requires long-term storage on the order of 100 years. Immobilization technology for krypton into amorphous zeolite 5A is considered one of the best methods for long-term storage. In this report, conditions for immobilization treatment and stability of amorphous zeolite 5A loaded krypton against heat, radiation and water are discussed, and a treatment system using this technology is described. (author)

  3. 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.

  4. 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

  5. Calculation of energetic characteristics of 3d-transition metal ion aquacomplexes in tetrahedral and octahedral coordination by broadened Hukkel method

    International Nuclear Information System (INIS)

    Zhogolev, D.A.; Bunyatyan, B.Kh.; Yatsimirskij, K.B.

    1975-01-01

    Aquacomplexes formation energies of bi- and trivalent ions of 3d transition metals from Sc to Ni in the tetrahedral and octahedral coordinations have been calculated to compare their energetic advantages. Unlike ions of alkali metals and halogens, a tendency for higher or at least equal energetic effect of the formation of a tetrahedral complex, compared to octahedral, is characteristic of the ions under study. This can be explained by an increase in the covalency degree of the bond ion-ligand and by a considerable charge transfer from ligands to the central ion in the case of transition elements

  6. Ge L{sub 3}-edge x-ray absorption near-edge structure study of structural changes accompanying conductivity drift in the amorphous phase of Ge{sub 2}Sb{sub 2}Te{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Mitrofanov, K. V. [Nanoelectronics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562 (Japan); Kolobov, A. V., E-mail: a.kolobov@aist.go.jp; Fons, P. [Nanoelectronics Research Institute and Green Nanoelectronics Center, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562, Japan and Synchrotron Radiation Research Institute (JASRI), SPring-8, 1-1-1, Kouto, Sayo, Hyogo 679-5198 (Japan); Wang, X.; Tominaga, J. [Nanoelectronics Research Institute and Green Nanoelectronics Center, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562 (Japan); Tamenori, Y.; Uruga, T. [Synchrotron Radiation Research Institute (JASRI), SPring-8, 1-1-1, Kouto, Sayo, Hyogo 679-5198 (Japan); Ciocchini, N.; Ielmini, D. [DEIB - Politecnico di Milano, Piazza L. Da Vinci 32, 20133 Milano (Italy)

    2014-05-07

    A gradual uncontrollable increase in the resistivity of the amorphous phase of phase-change alloys, such as Ge{sub 2}Sb{sub 2}Te{sub 5}, known as drift, is a serious technological issue for application of phase-change memory. While it has been proposed that drift is related to structural relaxation, no direct structural results have been reported so far. Here, we report the results of Ge L{sub 3}-edge x-ray absorption measurements that suggest that the drift in electrical conductivity is associated with the gradual conversion of tetrahedrally coordinated Ge sites into pyramidal sites, while the system still remains in the amorphous phase. Based on electronic configuration arguments, we propose that during this process, which is governed by the existence of lone-pair electrons, the concentration of free carriers in the system decreases resulting in an increase in resistance despite the structural relaxation towards the crystalline phase.

  7. Controlled nitrogen incorporation in GaNSb alloys

    Directory of Open Access Journals (Sweden)

    M. J. Ashwin

    2011-09-01

    Full Text Available The incorporation of N in molecular-beam epitaxy of GaNxSb1−x alloys with x ⩽ 0.022 has been investigated as a function of temperature (325–400°C and growth rate 0.25–1.6 μmh−1. At fixed growth rate, the incorporated N fraction increases as the temperature is reduced until a maximum N content for the particular growth rate reached. At each temperature, there is a range of growth rates over which the N content is inversely proportional to the growth rate; the results are understood in terms of a kinetic model. The systematic growth rate- and temperature-dependence enables the N content and resulting band gap to be controlled.

  8. 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

  9. 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

  10. Direct Observation of Very Large Zero-Field Splitting in a Tetrahedral Ni(II)Se4 Coordination Complex.

    Science.gov (United States)

    Jiang, Shang-Da; Maganas, Dimitrios; Levesanos, Nikolaos; Ferentinos, Eleftherios; Haas, Sabrina; Thirunavukkuarasu, Komalavalli; Krzystek, J; Dressel, Martin; Bogani, Lapo; Neese, Frank; Kyritsis, Panayotis

    2015-10-14

    The high-spin (S = 1) tetrahedral Ni(II) complex [Ni{(i)Pr2P(Se)NP(Se)(i)Pr2}2] was investigated by magnetometry, spectroscopic, and quantum chemical methods. Angle-resolved magnetometry studies revealed the orientation of the magnetization principal axes. The very large zero-field splitting (zfs), D = 45.40(2) cm(-1), E = 1.91(2) cm(-1), of the complex was accurately determined by far-infrared magnetic spectroscopy, directly observing transitions between the spin sublevels of the triplet ground state. These are the largest zfs values ever determined--directly--for a high-spin Ni(II) complex. Ab initio calculations further probed the electronic structure of the system, elucidating the factors controlling the sign and magnitude of D. The latter is dominated by spin-orbit coupling contributions of the Ni ions, whereas the corresponding effects of the Se atoms are remarkably smaller.

  11. Calculation of fluctuations and photoemission properties in a tetrahedral-cluster model for an intermediate-valence system

    International Nuclear Information System (INIS)

    Reich, A.; Falicov, L.M.

    1986-01-01

    An exact solution of a four-site tetrahedral-crystal model, the smallest face-centered-cubic crystal, is presented in the case of an intermediate-valence system. The model consists of the following: (a) one extended orbital and one localized orbital per atom, (b) an interatomic transfer term between extended orbitals, (c) an interatomic hybridization between the localized and extended orbitals, (d) strong intra-atomic Coulomb repulsion between opposite-spin localized states, and (e) intermediate-strength intra-atomic Coulomb repulsion between the localized and extended states. These competing effects are examined as they manifest themselves in the intermediate-valence, photoemission, inverse-photoemission, and thermodynamic properties

  12. The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

    Science.gov (United States)

    Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

    2016-01-01

    Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

  13. 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.

  14. Thermal stability of amorphous carbon films grown by pulsed laser deposition

    Science.gov (United States)

    Friedmann, T. A.; McCarty, K. F.; Barbour, J. C.; Siegal, M. P.; Dibble, Dean C.

    1996-03-01

    The thermal stability in vacuum of amorphous tetrahedrally coordinated carbon (a-tC) films grown on Si has been assessed by in situ Raman spectroscopy. Films were grown in vacuum on room-temperature substrates using laser fluences of 12, 22, and 45 J/cm2 and in a background gas of either hydrogen or nitrogen using a laser fluence of 45 J/cm2. The films grown in vacuum at high fluence (≳20J/cm2) show little change in the a-tC Raman spectra with temperature up to 800 °C. Above this temperature the films convert to glassy carbon (nanocrystalline graphite). Samples grown in vacuum at lower fluence or in a background gas (H2 or N2) at high fluence are not nearly as stable. For all samples, the Raman signal from the Si substrate (observed through the a-tC film) decreases in intensity with annealing temperature indicating that the transparency of the a-tC films is decreasing with temperature. These changes in transparency begin at much lower temperatures (˜200 °C) than the changes in the a-tC Raman band shape and indicate that subtle changes are occurring in the a-tC films at lower temperatures.

  15. Evolution of sp2 networks with substrate temperature in amorphous carbon films: Experiment and theory

    International Nuclear Information System (INIS)

    Gago, R.; Vinnichenko, M.; Jaeger, H.U.; Maitz, M.F.; Belov, A.Yu.; Jimenez, I.; Huang, N.; Sun, H.

    2005-01-01

    The evolution of sp 2 hybrids in amorphous carbon (a-C) films deposited at different substrate temperatures was studied experimentally and theoretically. The bonding structure of a-C films prepared by filtered cathodic vacuum arc was assessed by the combination of visible Raman spectroscopy, x-ray absorption, and spectroscopic ellipsometry, while a-C structures were generated by molecular-dynamics deposition simulations with the Brenner interatomic potential to determine theoretical sp 2 site distributions. The experimental results show a transition from tetrahedral a-C (ta-C) to sp 2 -rich structures at ∼500 K. The sp 2 hybrids are mainly arranged in chains or pairs whereas graphitic structures are only promoted for sp 2 fractions above 80%. The theoretical analysis confirms the preferred pairing of isolated sp 2 sites in ta-C, the coalescence of sp 2 clusters for medium sp 2 fractions, and the pronounced formation of rings for sp 2 fractions >80%. However, the dominance of sixfold rings is not reproduced theoretically, probably related to the functional form of the interatomic potential used

  16. 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.

  17. 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.

  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 Diamond MEMS and Sensors

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-06-01

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

  20. Influence of the exchange and correlation functional on the structure of amorphous InSb and In{sub 3}SbTe{sub 2} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gabardi, Silvia; Caravati, Sebastiano; Bernasconi, Marco, E-mail: marco.bernasconi@mater.unimib.it [Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via R. Cozzi 55, I-20125 Milano (Italy); Los, Jan H.; Kühne, Thomas D. [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany)

    2016-05-28

    We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In{sub 3}SbTe{sub 2} compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge{sub 2}Sb{sub 2}Te{sub 5} phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

  1. A comparative study of amorphous InGaZnO thin-film transistors with HfOxNy and HfO2 gate dielectrics

    International Nuclear Information System (INIS)

    Zou, Xiao; Tong, Xingsheng; Fang, Guojia; Yuan, Longyan; Zhao, Xingzhong

    2010-01-01

    High-κ HfO x N y and HfO 2 films are applied to amorphous InGaZnO (a-IGZO) devices as gate dielectric using radio-frequency reactive sputtering. The electrical characteristics and reliability of a-IGZO metal–insulator–semiconductor (MIS) capacitors and thin-film transistors (TFTs) are then investigated. Experimental results indicate that the nitrogen incorporation into HfO 2 can effectively improve the interface quality and enhance the reliability of the devices. Electrical properties with an interface-state density of 5.2 × 10 11 eV −1 cm −2 , capacitance equivalent thickness of 1.65 nm, gate leakage current density of 3.4 × 10 −5 A cm −2 at V fb +1 V, equivalent permittivity of 23.6 and hysteresis voltage of 110 mV are obtained for an Al/HfO x N y /a-IGZO MIS capacitor. Superior performance of HfO x N y /a-IGZO TFTs has also been achieved with a low threshold voltage of 0.33 V, a high saturation mobility of 12.1 cm 2 V −1 s −1 and a large on–off current ratio up to 7 × 10 7 (W/L = 500/20 µm) at 3 V

  2. 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

  3. Relaxation processes during amorphous metal alloys heating

    International Nuclear Information System (INIS)

    Malinochka, E.Ya.; Durachenko, A.M.; Borisov, V.T.

    1982-01-01

    Behaviour of Te+15 at.%Ge and Fe+13 at.%P+7 at.%C amorphous metal alloys during heating has been studied using the method of differential scanning calorimetry (DSC) as the most convenient one for determination of the value of heat effects, activation energies, temperature ranges of relaxation processes. Thermal effects corresponding to high-temperature relaxation processes taking place during amorphous metal alloys (AMA) heating are detected. The change of ratio of relaxation peaks values on DSC curves as a result of AMA heat treatment can be explained by the presence of a number of levels of inner energy in amorphous system, separated with potential barriers, the heights of which correspond to certain activation energies of relaxation processes

  4. 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

  5. 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

  6. Analysis of an ideal amorphous solid

    International Nuclear Information System (INIS)

    To, L.T.; Stachurski, Z.H.

    2004-01-01

    Full text: In geometrical terms, amorphous solids are fundamentally different from crystalline solids in that they can not be constructed by the crystallographic method of translation of the basis along a lattice. Therefore, to study amorphous structures we must invoke concepts and use measures different to those used for ordered structures. Nevertheless, an ideal amorphous solid must share together with the ideal crystalline solid in the same definition of the term 'ideal'. In both cases it must be a perfect body, in which perfection is carried through in every detail to an unlimited (infinite) size without fault or defect. The latest results on this research will be presented. To qualify for a solid, rigid body, close packing of the spheres is required. For an ideal amorphous solids composed of hard spheres of identical size, we impose a stricter condition for the packing, namely, to be such that all spheres are in fixed positions (no loose spheres). To define the ideal solid, we must define what we mean by a perfect amorphous structure. Here, perfection is defined by, first the definition of imperfections, and next by the requirement of absence of imperfections of any kind. We envisage two types of defects: (i) geometrical, and (ii) statistical. Geometrical defects are: a sphere of different size, a loose sphere, and a vacancy. A statistical defect is defined with respect to two statistical functions: Ψ(N C ), and Φ(S β ). The former describes the probability of a given sphere having nc number of touching contacts, and the latter describes the disposition of the contacts on the surface of the sphere. Defects relating to the two functions will be described. The results for the functions, Ψ(N C ), and Φ(S β ), for the corresponding radial distribution function, and so called blocking number will be presented from simulations of an ideal amorphous solid

  7. Definition and properties of ideal amorphous structures

    International Nuclear Information System (INIS)

    Stachurski, Z.H.

    2002-01-01

    Full text: Amorphous structure is usually defined by what it is not (ie, no crystalline peaks in XRS, no bond correlation in NMR), rather than by what it is. The interest in defining the structure of non-crystalline materials is long standing; packing geometry of spheres, molecular structure of glassy SiO 2 , or the structure of atactic polymers are prime examples. The earliest definitions of amorphous structure were in terms of a microcrystallite model of Valenkov, or continuous random network by Zachariasen. The random close packing of spheres of equal size, and an amorphous structure, composed of freely jointed linear chains of hard spheres, has been described mathematically in terms of a linear homogeneous Poisson process. This paper aims to describe some geometrical, kinematic, and topological properties of these two ideal amorphous structures, which belong to the same amorphous class. The geometry of packing is elucidated, and the use of Voronoi tessellation method for measuring the structures is described. The ideal amorphous solid has no symmetry elements; its volume can not be divided into identical unit cells. However, there is a volume element small enough to allow the distinction of its nanoscopic inhomogeneities, and sufficiently large enough to represent, accurately the overall behaviour. We define this volume element, the representative volume element. Suitable boundary conditions must be prescribed for a choice of RVE, and satisfy certain requirements. Topologically, a catchment region on the Born-Oppenheimer potential energy surface over nuclear configuration space, is defined by Mezey and Bader as an energetically stable geometry of the open region of R 3 traversed by all the trajectories which terminate at a local maximum. Two topological properties will be described: (i) the boundaries of the catchment region as a direct geometrical correspondence to the Voronoi polyhedron for a given atom in a given structure, and (ii) the constriction points

  8. On the properties of nanocomposite amorphous carbon films prepared by off-plane double bend filtered cathodic vacuum arc

    International Nuclear Information System (INIS)

    Tay, B.K.; Zhang, P.

    2002-01-01

    It is known to deposit hard thin films, such as tetrahedral amorphous carbon (ta-C), using a filtered cathode vacuum arc (FCVA). These ta-C films have interesting and useful properties because of the high sp 3 fraction of carbon atoms (up to 87%) in the film. However, the high internal stress in the films can limit their applications as the film may flake away from the substrate. In order to reduce the internal stress of the ta-C films and in an attempt to improve adhesion of thick films of this type, growth modifications such as incorporating metal into the ta-C films have been carried out. Nanocomposite amorphous carbon films were deposited by FCVA technique using metal-carbon composite target. Atomic force microscopy, Raman, and X-ray photoelectron spectroscopy were used to characterize the morphology and structure of the films. Nanoindenter and surface profilometer were used to determine the hardness, Young's modulus, and internal stress. The same metal composition targets for different elements results in different metal composition in the corresponding nanocomposite amorphous carbon films. We attribute this observation to the dynamic balance deposition effect of the FCVA deposition process. The influence of the type of metallic elements and its composition in the films on the structural, mechanical properties, surface energy and field emission (FE) performance was studied. The incorporation of metal into the films results in the decrease of sp 3 fraction, internal stress in the films, but the hardness and Young's modulus remains at high level. The surface energy of the films increases with incorporating Ni atoms, but decreases after incorporating Fe and Al atoms into the films. After heat-treatment, the incorporation of metal into ta-C films can greatly improve the FE performance

  9. Amorphous ice. A microporous solid: astrophysical implications

    International Nuclear Information System (INIS)

    Mayer, E.; Pletzer, R.

    1987-01-01

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

  10. Amorphous Alloy: Promising Precursor to Form Nanoflowerpot

    Directory of Open Access Journals (Sweden)

    Guo Lan

    2014-01-01

    Full Text Available Nanoporous copper is fabricated by dealloying the amorphous Ti2Cu alloy in 0.03 M HF electrolyte. The pore and ligament sizes of the nanoporous copper can be readily tailored by controlling the dealloying time. The as-prepared nanoporous copper provides fine and uniform nanoflowerpots to grow highly dispersed Au nanoflowers. The blooming Au nanoflowers in the nanoporous copper flowerpots exhibit both high catalytic activity and stability towards the oxidation of glucose, indicating that the amorphous alloys are ideal precursors to form nanoflowerpot which can grow functional nanoflowers.

  11. 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.

  12. Phonon excitations in multicomponent amorphous solids

    International Nuclear Information System (INIS)

    Vakarchuk, I.A.; Migal', V.M.; Tkachuk, V.M.

    1988-01-01

    The method of two-time temperature-dependent Green's functions is used to investigate phonon excitations in multicomponent amorphous solids. The equation obtained for the energy spectrum of the phonon excitations takes into account the damping associated with scattering of phonons by structure fluctuations. The quasicrystal approximation is considered, and as an example explicit expressions are obtained for the case of a two-component amorphous solid for the frequencies of the acoustical and optical modes and for the longitudinal and transverse velocities of sound. The damping is investigated

  13. Paramagnetic defects in hydrogenated amorphous carbon powders

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  14. Porosity and mechanical properties of amorphous alloys

    International Nuclear Information System (INIS)

    Betekhtin, V.I.; Kadomtsev, A.G.; Amosova, O.V.

    2003-01-01

    The obtained experimental data on the effect of the inherent submicroporosity and its change under impact of high hydrostatic pressure or annealing on the strength, microdestruction, embrittlement temperature, the first crystallization stage and peculiarities of the surface crystallization of the amorphous alloys are analyzed. The conclusion is made on the basis of the studies on the peculiarities of the voluminous and surface crystallization of the Fe 56 Co 24 Si 5 B 15 , Fe 78 Ni 2 Si 8 B 12 , Fe 85 B 15 , Fe 58 Ni 20 Si 9 B 13 amorphous alloys that the increase in the inherent submicroporosity is one of the essential factors facilitating crystallization [ru

  15. Amorphous Phase Mediated Crystallization: Fundamentals of Biomineralization

    Directory of Open Access Journals (Sweden)

    Wenjing Jin

    2018-01-01

    Full Text Available Many biomineralization systems start from transient amorphous precursor phases, but the exact crystallization pathways and mechanisms remain largely unknown. The study of a well-defined biomimetic crystallization system is key for elucidating the possible mechanisms of biomineralization and monitoring the detailed crystallization pathways. In this review, we focus on amorphous phase mediated crystallization (APMC pathways and their crystallization mechanisms in bio- and biomimetic-mineralization systems. The fundamental questions of biomineralization as well as the advantages and limitations of biomimetic model systems are discussed. This review could provide a full landscape of APMC systems for biomineralization and inspire new experiments aimed at some unresolved issues for understanding biomineralization.

  16. 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

  17. Thermal conductivity of sputtered amorphous Ge films

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  18. 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)

  19. Inverted amorphous silicon solar cell utilizing cermet layers

    Science.gov (United States)

    Hanak, Joseph J.

    1979-01-01

    An amorphous silicon solar cell incorporating a transparent high work function metal cermet incident to solar radiation and a thick film cermet contacting the amorphous silicon opposite to said incident surface.

  20. From empirical to ab initio: transferable potentials in the atomistic simulation of amorphous carbons

    International Nuclear Information System (INIS)

    Marks, N.A.; Goringe, C.M.; McKenzie, D.R.; McCulloch, D.G.; Royal Melbourne Institute of Technology University, Melbourne, VIC

    2000-01-01

    Full text: Silicon is often described as the prototype covalent material, and when it comes to developing atomistic models this situation is well described by the sentiment that 'everything works for silicon'. The same cannot be said for carbon though, where the interaction potential has always proved problematical, be it with empirical, tight-binding or ab initio methods. Thus far the most decisive contributions to understanding amorphous carbon networks have come from ab initio simulations using the Car-Parrinello method, where the fully quantum treatment of the valence electrons has provided unexpected insight into the local structure. However such first principles calculations are restricted spatially and temporally to systems with approximately 100 atoms and times of order one picosecond. There is therefore demand for less expensive techniques capable of resolving important questions whose solution can only to found with larger simulations running for longer times. In the case of tetrahedral amorphous carbon, such issues include the release of compressive stress through annealing, the origin of graphitic surface layers and the nature of the film growth process and thermal spike. Against this background tight-binding molecular dynamics has emerged as a popular alternative to first principles methods, and our group has an ongoing program to understand film growth using one of the efficient variants of tight-binding. Another direction of research is a new empirical potential based on the Environment Dependent Interaction Potential (EDIP) recently developed for silicon. The EDIP approach represents a promising direction for empirical potentials through its use of ab initio data to motivate the functional form as well as the more conventional parametrisation. By inverting ab initio cohesive energy curves the authors of EDIP arrived at a pair potential expression which reduces to the well-known Stillinger-Weber form at integer coordination, while providing

  1. 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)

  2. A parallel electrostatic Particle-in-Cell method on unstructured tetrahedral grids for large-scale bounded collisionless plasma simulations

    Science.gov (United States)

    Averkin, Sergey N.; Gatsonis, Nikolaos A.

    2018-06-01

    An unstructured electrostatic Particle-In-Cell (EUPIC) method is developed on arbitrary tetrahedral grids for simulation of plasmas bounded by arbitrary geometries. The electric potential in EUPIC is obtained on cell vertices from a finite volume Multi-Point Flux Approximation of Gauss' law using the indirect dual cell with Dirichlet, Neumann and external circuit boundary conditions. The resulting matrix equation for the nodal potential is solved with a restarted generalized minimal residual method (GMRES) and an ILU(0) preconditioner algorithm, parallelized using a combination of node coloring and level scheduling approaches. The electric field on vertices is obtained using the gradient theorem applied to the indirect dual cell. The algorithms for injection, particle loading, particle motion, and particle tracking are parallelized for unstructured tetrahedral grids. The algorithms for the potential solver, electric field evaluation, loading, scatter-gather algorithms are verified using analytic solutions for test cases subject to Laplace and Poisson equations. Grid sensitivity analysis examines the L2 and L∞ norms of the relative error in potential, field, and charge density as a function of edge-averaged and volume-averaged cell size. Analysis shows second order of convergence for the potential and first order of convergence for the electric field and charge density. Temporal sensitivity analysis is performed and the momentum and energy conservation properties of the particle integrators in EUPIC are examined. The effects of cell size and timestep on heating, slowing-down and the deflection times are quantified. The heating, slowing-down and the deflection times are found to be almost linearly dependent on number of particles per cell. EUPIC simulations of current collection by cylindrical Langmuir probes in collisionless plasmas show good comparison with previous experimentally validated numerical results. These simulations were also used in a parallelization

  3. TU-AB-202-05: GPU-Based 4D Deformable Image Registration Using Adaptive Tetrahedral Mesh Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Z; Zhuang, L [Wayne State University, Detroit, MI (United States); Gu, X; Wang, J [UT Southwestern Medical Center, Dallas, TX (United States); Chen, H; Zhen, X [Southern Medical University, Guangzhou, Guangdong (China)

    2016-06-15

    Purpose: Deformable image registration (DIR) has been employed today as an automated and effective segmentation method to transfer tumor or organ contours from the planning image to daily images, instead of manual segmentation. However, the computational time and accuracy of current DIR approaches are still insufficient for online adaptive radiation therapy (ART), which requires real-time and high-quality image segmentation, especially in a large datasets of 4D-CT images. The objective of this work is to propose a new DIR algorithm, with fast computational speed and high accuracy, by using adaptive feature-based tetrahedral meshing and GPU-based parallelization. Methods: The first step is to generate the adaptive tetrahedral mesh based on the image features of a reference phase of 4D-CT, so that the deformation can be well captured and accurately diffused from the mesh vertices to voxels of the image volume. Subsequently, the deformation vector fields (DVF) and other phases of 4D-CT can be obtained by matching each phase of the target 4D-CT images with the corresponding deformed reference phase. The proposed 4D DIR method is implemented on GPU, resulting in significantly increasing the computational efficiency due to its parallel computing ability. Results: A 4D NCAT digital phantom was used to test the efficiency and accuracy of our method. Both the image and DVF results show that the fine structures and shapes of lung are well preserved, and the tumor position is well captured, i.e., 3D distance error is 1.14 mm. Compared to the previous voxel-based CPU implementation of DIR, such as demons, the proposed method is about 160x faster for registering a 10-phase 4D-CT with a phase dimension of 256×256×150. Conclusion: The proposed 4D DIR method uses feature-based mesh and GPU-based parallelism, which demonstrates the capability to compute both high-quality image and motion results, with significant improvement on the computational speed.

  4. TU-AB-202-05: GPU-Based 4D Deformable Image Registration Using Adaptive Tetrahedral Mesh Modeling

    International Nuclear Information System (INIS)

    Zhong, Z; Zhuang, L; Gu, X; Wang, J; Chen, H; Zhen, X

    2016-01-01

    Purpose: Deformable image registration (DIR) has been employed today as an automated and effective segmentation method to transfer tumor or organ contours from the planning image to daily images, instead of manual segmentation. However, the computational time and accuracy of current DIR approaches are still insufficient for online adaptive radiation therapy (ART), which requires real-time and high-quality image segmentation, especially in a large datasets of 4D-CT images. The objective of this work is to propose a new DIR algorithm, with fast computational speed and high accuracy, by using adaptive feature-based tetrahedral meshing and GPU-based parallelization. Methods: The first step is to generate the adaptive tetrahedral mesh based on the image features of a reference phase of 4D-CT, so that the deformation can be well captured and accurately diffused from the mesh vertices to voxels of the image volume. Subsequently, the deformation vector fields (DVF) and other phases of 4D-CT can be obtained by matching each phase of the target 4D-CT images with the corresponding deformed reference phase. The proposed 4D DIR method is implemented on GPU, resulting in significantly increasing the computational efficiency due to its parallel computing ability. Results: A 4D NCAT digital phantom was used to test the efficiency and accuracy of our method. Both the image and DVF results show that the fine structures and shapes of lung are well preserved, and the tumor position is well captured, i.e., 3D distance error is 1.14 mm. Compared to the previous voxel-based CPU implementation of DIR, such as demons, the proposed method is about 160x faster for registering a 10-phase 4D-CT with a phase dimension of 256×256×150. Conclusion: The proposed 4D DIR method uses feature-based mesh and GPU-based parallelism, which demonstrates the capability to compute both high-quality image and motion results, with significant improvement on the computational speed.

  5. Vibrational spectra for hydrogenated amorphous semiconductors

    International Nuclear Information System (INIS)

    Kamitakahara, W.A.; Bouchard, A.M.; Biswas, R.; Gompf, F.; Suck, J.B.

    1990-01-01

    Hydrogen vibration spectra have been measured by neutron scattering for several amorphous semiconductor materials, including a-Ge:H and a-SiC:H samples containing about 10 at. % H. The data for a-Ge:H are compared in detail with the results of realistic computer simulations

  6. Film adhesion in amorphous silicon solar cells

    Indian Academy of Sciences (India)

    TECS

    Film adhesion in amorphous silicon solar cells. A R M YUSOFF*, M N SYAHRUL and K HENKEL. Malaysia Energy Centre, 8th Floor, North Wing, Sapura @ Mines, 7, Jalan Tasik, The Mines Resort City,. 43300 Seri Kembangan, Selangor Darul Ehsan. MS received 11 April 2007. Abstract. A major issue encountered ...

  7. 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

  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. Noise and degradation of amorphous silicon devices

    NARCIS (Netherlands)

    Bakker, J.P.R.

    2003-01-01

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

  10. Radiative recombination of excitons in amorphous semiconductors

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-04-15

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

  11. Bulk amorphous Mg-based alloys

    DEFF Research Database (Denmark)

    Pryds, Nini

    2004-01-01

    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...

  12. Anodic electrochemical treatment of amorphous alloys

    International Nuclear Information System (INIS)

    Isaev, N.I.; Yakovlev, V.B.; Osipov, Eh.K.; Isaev, A.V.; Trofimova, E.A.; Vasil'ev, V.Yu.

    1983-01-01

    The aim of the investigation is to reveal peculiarities of the process of anodic oxidation and properties of anode oxide films, formed on the surface of amorphous alloys. Amorphous alloys on the base of rectifying metals of Zr-Ni, Zr-Cu-Ni, Zr-Al-Ni, Zr-Cu-Sn, Zr-Al, Zr-Mo systems are studied. Electrolytes which do not dissolve or weakly dissolve oxide film, such as boric acid electrolyte (40-45 g/l H 3 BO 3 and 18 cm 3 /l of the 25% aqueous NH 4 OH solution) and 20% H 2 SO 4 solution, are used for oxidation. Results of investigations, carried out on amorphous alloys, contaning noticeable quantities of non-rectifying components - Cu, Ni, Sn, Fe, Mo etc - have shown that non-rectifying components harden a process of anodic oxidation and decrease the current efficiency. Amorphous alloys, containing only rectifying components are oxidated in anodic way, the regularities of film growth being similar to those obtained for crystalline materials

  13. Amorphous bimetallic alloys prepared by steam condensation

    International Nuclear Information System (INIS)

    Drago, V.

    1988-01-01

    Amorphous alloys of MnSn are prepared by steam condensation, in a substratum with a temperature near of the liquid helium. The magnetic and paramagnetic hyperfine spectrum and the ordination temperature by Moessbauer effect 119Sn are measured. A diagram of magnetic phase is proposed, basing on the measures of Moessbauer effect. (C.G.C.) [pt

  14. Structural morphology of amorphous conducting carbon film

    Indian Academy of Sciences (India)

    Unknown

    moves from low preparation temperature to high preparation temperature. The amorphous .... nm and the interac- tion between the pi-electron clouds of the two layers re- .... sp2 configuration forms to minimize stress and making. C900 films ...

  15. 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

  16. 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

  17. 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

  18. Type 1 diabetes epidemic in Finland is triggered by zinc-containing amorphous silica nanoparticles.

    Science.gov (United States)

    Junnila, S K

    2015-04-01

    Type 1 diabetes (T1D), an autoimmune disease, breaks out in some of the children who has genetic susceptibility to T1D. Besides genetic susceptibility some environmental factor(s) are required to trigger the disease. The incidence of T1D in Finland is highest in the world, so we must seek an environmental factor, that is typical for Finland and can declare many aspects of T1D epidemiology and biology. In the literature most popular trigger has been enterovirus infections. It is difficult however to find why enteroviruses would be in this role in Finland in contrary to neighbouring countries e.g. Sweden. Colloidal amorphous silica (ASi) is typical for Finnish environment in consequency of the geohistory of Finland, great part of Finland is an ancient lake and sea bottom. ASi concentrations in natural waters are high in April-June and in November, only traces can be found in the rest of months. Pure colloidal ASi is not a strong trigger for T1D, but ASi particle which has surface adsorbed tetrahedrally coordinated zinc (ASiZn) is probably the trigger which has kept it's secret up to date. Zn functions as address label which conducts the ASiZn particle to the beta cell, whose content of zinc is highest in the body. ASi particle adheres to membrane proteins distorting their tertiary structure revealing new epitopes. If the fetus has not met these epitopes at proper time during intrauterine development, the consequence is that the negative selection of lymphocytes in the thymus and bone marrow and fetal liver is not perfect. When a child later in postnatal life becomes predisposed to ASiZn particles the immune system reacts to these as to nonself proteins. As a consequence the insulin producing beta cells are destroyed. Many observations from diabetes research support the hypothesis, some to mentioned. 1. Three common autoantigens (ZnT8, ICA512/IA-2, GAD65) are membrane proteins whose function zinc regulates. 2. Geographical variation in Finland is convergent with

  19. 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)

  20. 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.

  1. Research Progress on Fe-based Amorphous Coatings

    Directory of Open Access Journals (Sweden)

    LIANG Xiu-bing

    2017-09-01

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

  2. Cause and Cure-Deterioration in Accuracy of CFD Simulations with Use of High-Aspect-Ratio Triangular/Tetrahedral Grids

    Science.gov (United States)

    Chang, Sin-Chung; Chang, Chau-Lyan; Venkatachari, Balaji

    2017-01-01

    In the multi-dimensional space-time conservation element and solution element16 (CESE) method, triangles and tetrahedral mesh elements turn out to be the most natural building blocks for 2D and 3D spatial grids, respectively. As such, the CESE method is naturally compatible with the simplest 2D and 3D unstructured grids and thus can be easily applied to solve problems with complex geometries. However, because (a) accurate solution of a high-Reynolds number flow field near a solid wall requires that the grid intervals along the direction normal to the wall be much finer than those in a direction parallel to the wall and, as such, the use of grid cells with extremely high aspect ratio (103 to 106) may become mandatory, and (b) unlike quadrilateral hexahedral grids, it is well-known that accuracy of gradient computations involving triangular tetrahedral grids tends to deteriorate rapidly as cell aspect ratio increases. As a result, the use of triangular tetrahedral grid cells near a solid wall has long been deemed impractical by CFD researchers. In view of (a) the critical role played by triangular tetrahedral grids in the CESE development, and (b) the importance of accurate resolution of high-Reynolds number flow field near a solid wall, as will be presented in the main paper, a comprehensive and rigorous mathematical framework that clearly identifies the reasons behind the accuracy deterioration as described above has been developed for the 2D case involving triangular cells. By avoiding the pitfalls identified by the 2D framework, and its 3D extension, it has been shown numerically.

  3. A Deep Penetration Problem Calculation Using AETIUS:An Easy Modeling Discrete Ordinates Transport Code UsIng Unstructured Tetrahedral Mesh, Shared Memory Parallel

    Science.gov (United States)

    KIM, Jong Woon; LEE, Young-Ouk

    2017-09-01

    As computing power gets better and better, computer codes that use a deterministic method seem to be less useful than those using the Monte Carlo method. In addition, users do not like to think about space, angles, and energy discretization for deterministic codes. However, a deterministic method is still powerful in that we can obtain a solution of the flux throughout the problem, particularly as when particles can barely penetrate, such as in a deep penetration problem with small detection volumes. Recently, a new state-of-the-art discrete-ordinates code, ATTILA, was developed and has been widely used in several applications. ATTILA provides the capabilities to solve geometrically complex 3-D transport problems by using an unstructured tetrahedral mesh. Since 2009, we have been developing our own code by benchmarking ATTILA. AETIUS is a discrete ordinates code that uses an unstructured tetrahedral mesh such as ATTILA. For pre- and post- processing, Gmsh is used to generate an unstructured tetrahedral mesh by importing a CAD file (*.step) and visualizing the calculation results of AETIUS. Using a CAD tool, the geometry can be modeled very easily. In this paper, we describe a brief overview of AETIUS and provide numerical results from both AETIUS and a Monte Carlo code, MCNP5, in a deep penetration problem with small detection volumes. The results demonstrate the effectiveness and efficiency of AETIUS for such calculations.

  4. Finite-element design and optimization of a three-dimensional tetrahedral porous titanium scaffold for the reconstruction of mandibular defects.

    Science.gov (United States)

    Luo, Danmei; Rong, Qiguo; Chen, Quan

    2017-09-01

    Reconstruction of segmental defects in the mandible remains a challenge for maxillofacial surgery. The use of porous scaffolds is a potential method for repairing these defects. Now, additive manufacturing techniques provide a solution for the fabrication of porous scaffolds with specific geometrical shapes and complex structures. The goal of this study was to design and optimize a three-dimensional tetrahedral titanium scaffold for the reconstruction of mandibular defects. With a fixed strut diameter of 0.45mm and a mean cell size of 2.2mm, a tetrahedral structural porous scaffold was designed for a simulated anatomical defect derived from computed tomography (CT) data of a human mandible. An optimization method based on the concept of uniform stress was performed on the initial scaffold to realize a minimal-weight design. Geometric and mechanical comparisons between the initial and optimized scaffold show that the optimized scaffold exhibits a larger porosity, 81.90%, as well as a more homogeneous stress distribution. These results demonstrate that tetrahedral structural titanium scaffolds are feasible structures for repairing mandibular defects, and that the proposed optimization scheme has the ability to produce superior scaffolds for mandibular reconstruction with better stability, higher porosity, and less weight. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

  5. 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.

  6. Compaction of amorphous iron–boron powder

    DEFF Research Database (Denmark)

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

    1993-01-01

    Large scale practical use of bulk amorphous alloys requires the capability of molding the material to a desired design, for instance by compaction of an amorphous powder. This is a difficult task because the sintering temperature is limited by the crystallization temperature of the alloy.1 Here we......, should facilitate a compaction. The passivation layer, however, impedes a compaction. Isostatic pressing at 540 K at a pressure of 200 MPa clearly illustrated this; pellets pressed from passivated powder were much more brittle than pellets pressed from unpassivated powder. The density of the pellets...... was very low ([approximately-equal-to]25% of the density of bulk FeB). We have designed a die for uniaxial pressing in which the compaction can be performed without exposing the powder to air and have obtained densities larger than 60% of that of bulk FeB. We have reported studies of the dependence...

  7. Study of an amorphous alloy core transformer

    Science.gov (United States)

    Nafalski, A.; Frost, D. C.

    1994-05-01

    Amorphous core transformers (ACT) have become a technological and commercial reality and there are an estimated 400,000 units installed worldwide [1]. Their applications reflect changes in buying practices, where the efficiency evaluation is an important factor in the purchasing decision for distribution transformers. Use of the total ownership cost (TOC) concept facilities the selection of a transformer on the basis of its performance. This concept is used in this paper to investigate the feasibility of applying a distribution ACT in Western Australian (WA). A 10 kVA ACT, evaluated by the TOC method, was compared with a traditional silicon iron core transformer of the same rating. The cost of amorphous metal (relative to alternative materials), the distribution load profile, and the values of capitalised loss costs are factors which affect the cost effectiveness of ACTs.

  8. Nature of amorphous polymorphism of water

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  9. 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.

  10. Mg amorphous alloys for biodegradable implants

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  11. 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

  12. Posterior amorphous corneal dystrophy: case report

    OpenAIRE

    Oliveira, Lauro Augusto de [UNIFESP; Vieira, Luiz Antônio [UNIFESP; Freitas, Denise de [UNIFESP; Sousa, Luciene Barbosa de [UNIFESP

    2006-01-01

    O objetivo deste trabalho é alertar o oftalmologista da possibilidade de se deparar com casos raros de distrofias corneanas. Neste caso correlacionamos os achados clínicos da distrofia amorfa posterior com refração, topografia e biomicroscopia ultra-sônica.The purpose of this paper is to warn the ophthalmologist about the possibility of facing rare cases of corneal dystrophies. Clinical findings of a case of posterior amorphous dystrophy were correlated with refraction, topography, and ultras...

  13. 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

  14. 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

  15. Nanopillar arrays of amorphous carbon nitride

    Science.gov (United States)

    Sai Krishna, Katla; Pavan Kumar, B. V. V. S.; Eswaramoorthy, Muthusamy

    2011-07-01

    Nanopillar arrays of amorphous carbon nitride have been prepared using anodic aluminum oxide (AAO) membrane as a template. The amine groups present on the surface of these nanopillars were exploited for functionalization with oleic acid in order to stabilize the nanostructure at the aqueous-organic interface and also for the immobilization of metal nanoparticles and protein. These immobilised nanoparticles were found to have good catalytic activity.

  16. Fluctuation microscopy analysis of amorphous silicon models

    Energy Technology Data Exchange (ETDEWEB)

    Gibson, J.M., E-mail: jmgibson@fsu.edu [Northeastern University, Department of Physics, Boston MA 02115 (United States); FAMU/FSU Joint College of Engineering, 225 Pottsdamer Street, Tallahassee, FL 32310 (United States); Treacy, M.M.J. [Arizona State University, Department of Physics, Tempe AZ 85287 (United States)

    2017-05-15

    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.

  17. Amorphous silicon as high index photonic material

    Science.gov (United States)

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

    2009-05-01

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

  18. Irradiation-induced amorphization process in graphite

    Energy Technology Data Exchange (ETDEWEB)

    Abe, Hiroaki [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

    1996-04-01

    Effects of the element process of irradiation damage on irradiation-induced amorphization processes of graphite was studied. High orientation thermal decomposed graphite was cut about 100 nm width and used as samples. The irradiation experiments are carried out under the conditions of electronic energy of 100-400 KeV, ion energy of 200-600 KeV, ionic species Xe, Ar, Ne, C and He and the irradiation temperature at from room temperature to 900 K. The critical dose ({phi}a) increases exponentially with increasing irradiation temperature. The displacement threshold energy of graphite on c-axis direction was 27 eV and {phi}a{sup e} = 0.5 dpa. dpa is the average number of displacement to atom. The critical dose of ion irradiation ({phi}a{sup i}) was 0.2 dpa at room temperature, and amorphous graphite was produced by less than half of dose of electronic irradiation. Amorphization of graphite depending upon temperature is discussed. (S.Y.)

  19. Formation of iron disilicide on amorphous silicon

    Science.gov (United States)

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

    1991-11-01

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

  20. Inelastic neutron scattering of amorphous ice

    International Nuclear Information System (INIS)

    Fukazawa, Hiroshi; Ikeda, Susumu; Suzuki, Yoshiharu

    2001-01-01

    We measured the inelastic neutron scattering from high-density amorphous (HDA) and low-density amorphous (LDA) ice produced by pressurizing and releasing the pressure. We found a clear difference between the intermolecular vibrations in HDA and those in LDA ice: LDA ice has peaks at 22 and 33 meV, which are also seen in the spectrum of lattice vibrations in ice crystal, but the spectrum of HDA ice does not have these peaks. The excitation energy of librational vibrations in HDA ice is 10 meV lower than that in LDA ice. These results imply that HDA ice includes 2- and 5-coordinated hydrogen bonds that are created by breakage of hydrogen bonds and migration of water molecules into the interstitial site, while LDA ice contains mainly 4-coordinated hydrogen bonds and large cavities. Furthermore, we report the dynamical structure factor in the amorphous ice and show that LDA ice is more closely related to the ice crystal structure than to HDA ice. (author)

  1. 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.

  2. 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.

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

    Science.gov (United States)

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

    2015-12-03

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

  4. Three-dimensional dynamic rupture simulation with a high-order discontinuous Galerkin method on unstructured tetrahedral meshes

    KAUST Repository

    Pelties, Christian

    2012-02-18

    Accurate and efficient numerical methods to simulate dynamic earthquake rupture and wave propagation in complex media and complex fault geometries are needed to address fundamental questions in earthquake dynamics, to integrate seismic and geodetic data into emerging approaches for dynamic source inversion, and to generate realistic physics-based earthquake scenarios for hazard assessment. Modeling of spontaneous earthquake rupture and seismic wave propagation by a high-order discontinuous Galerkin (DG) method combined with an arbitrarily high-order derivatives (ADER) time integration method was introduced in two dimensions by de la Puente et al. (2009). The ADER-DG method enables high accuracy in space and time and discretization by unstructured meshes. Here we extend this method to three-dimensional dynamic rupture problems. The high geometrical flexibility provided by the usage of tetrahedral elements and the lack of spurious mesh reflections in the ADER-DG method allows the refinement of the mesh close to the fault to model the rupture dynamics adequately while concentrating computational resources only where needed. Moreover, ADER-DG does not generate spurious high-frequency perturbations on the fault and hence does not require artificial Kelvin-Voigt damping. We verify our three-dimensional implementation by comparing results of the SCEC TPV3 test problem with two well-established numerical methods, finite differences, and spectral boundary integral. Furthermore, a convergence study is presented to demonstrate the systematic consistency of the method. To illustrate the capabilities of the high-order accurate ADER-DG scheme on unstructured meshes, we simulate an earthquake scenario, inspired by the 1992 Landers earthquake, that includes curved faults, fault branches, and surface topography. Copyright 2012 by the American Geophysical Union.

  5. 3-D minimum-structure inversion of magnetotelluric data using the finite-element method and tetrahedral grids

    Science.gov (United States)

    Jahandari, H.; Farquharson, C. G.

    2017-11-01

    Unstructured grids enable representing arbitrary structures more accurately and with fewer cells compared to regular structured grids. These grids also allow more efficient refinements compared to rectilinear meshes. In this study, tetrahedral grids are used for the inversion of magnetotelluric (MT) data, which allows for the direct inclusion of topography in the model, for constraining an inversion using a wireframe-based geological model and for local refinement at the observation stations. A minimum-structure method with an iterative model-space Gauss-Newton algorithm for optimization is used. An iterative solver is employed for solving the normal system of equations at each Gauss-Newton step and the sensitivity matrix-vector products that are required by this solver are calculated using pseudo-forward problems. This method alleviates the need to explicitly form the Hessian or Jacobian matrices which significantly reduces the required computation memory. Forward problems are formulated using an edge-based finite-element approach and a sparse direct solver is used for the solutions. This solver allows saving and re-using the factorization of matrices for similar pseudo-forward problems within a Gauss-Newton iteration which greatly minimizes the computation time. Two examples are presented to show the capability of the algorithm: the first example uses a benchmark model while the second example represents a realistic geological setting with topography and a sulphide deposit. The data that are inverted are the full-tensor impedance and the magnetic transfer function vector. The inversions sufficiently recovered the models and reproduced the data, which shows the effectiveness of unstructured grids for complex and realistic MT inversion scenarios. The first example is also used to demonstrate the computational efficiency of the presented model-space method by comparison with its data-space counterpart.

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

    Science.gov (United States)

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

    2017-09-01

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

  7. Study of structural relaxation in amorphous alloys prepared by sputtering

    International Nuclear Information System (INIS)

    Habibi, S.; Banaee, N.; Majidy, S.

    2004-01-01

    Full text: We have prepared amorphous alloy of Al x Cu 1-x (with X= 93, 90, 80, 70, 30) using sputtering system. The rate of growth was 0.7 nm/sec. X-ray diffractometer was used to conform the amorphous nature of the prepared specimens. High temperature annealing can change amorphous to crystalline structure, while low temperature annealing may transform amorphous state to a more stable amorphous state via structural relaxation of the specimen and enhancing the properties of the alloys, such as mechanical ductility etc. Here we have annealed the alloys at temperatures 100, 150, 200, 250, 300 and 350 C for 1 hour. We observed that microhardness of the specimen increases with annealing and gets maximum value at 300 C. Our XRD experiments and also earlier Moessbauer studies show that while the average interatomic distances reduces due to annealing, structure remains amorphous

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

    Directory of Open Access Journals (Sweden)

    CHEN Ming-hui

    2017-01-01

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

  9. Amorphization reaction in thin films of elemental Cu and Y

    Science.gov (United States)

    Johnson, R. W.; Ahn, C. C.; Ratner, E. R.

    1989-10-01

    Compositionally modulated thin films of Cu and Y were prepared in an ultrahigh-vacuum dc ion-beam deposition chamber. The amorphization reaction was monitored by in situ x-ray-diffraction measurements. Growth of amorphous Cu1-xYx is observed at room temperature with the initial formation of a Cu-rich amorphous phase. Further annealing in the presence of unreacted Y leads to Y enrichment of the amorphous phase. Growth of crystalline CuY is observed for T=469 K. Transmission-electron-microscopy measurements provide real-space imaging of the amorphous interlayer and growth morphology. Models are developed, incorporating metastable interfacial and bulk free-energy diagrams, for the early stage of the amorphization reaction.

  10. 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

  11. Recent advances in co-amorphous drug formulations

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  12. Effect of substrate temperature on the structure of amorphous oxygenated hydrocarbon films grown with a pulsed supersonic methane plasma flow

    Energy Technology Data Exchange (ETDEWEB)

    Fedoseeva, Yu. V., E-mail: fedoseeva@niic.nsc.ru [Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Pozdnyakov, G.A. [Khristianovich Institute of Theoretical and Applied Mechanics, SB RAS, Novosibirsk 630090 (Russian Federation); Okotrub, A.V.; Kanygin, M.A. [Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Nastaushev, Yu. V. [Rzhanov Institute of Semiconductor Physics SB RAS, Novosibirsk 630090 (Russian Federation); Vilkov, O.Y. [St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Bulusheva, L.G. [Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation)

    2016-11-01

    Highlights: • A deposition of supersonic methane plasma flow on silicon substrate produces amorphous oxygenated hydrocarbon (CO{sub x}H{sub y}) film. • The thickness, composition, and wettability of the film depend on the substrate temperature. • A rise of the substrate temperature from 500 to 700 °C promotes the sp{sup 3}-hybridization carbon formation. - Abstract: Since amorphous oxygenated hydrocarbon (CO{sub x}H{sub y}) films are promising engineering materials a study of the structure and composition of the films depending on the conditions of synthesis is important for controlling of their physicochemical properties. Here, we used the methods of scanning and transmission electron microscopy, X-ray photoelectron, near-edge X-ray absorption fine structure, Fourier transform infrared and Raman spectroscopy to reveal changes in the chemical connectivity of CO{sub x}H{sub y} films grown on silicon substrates heated to 300, 500, and 700 °C using a supersonic flow of methane plasma. It was found that the CO{sub x}H{sub y} films, deposited at 300 and 500 °C, were mainly composed of the sp{sup 2}-hybridized carbon areas with various oxygen species. A rise of the substrate temperature caused an increase of the portion of tetrahedral carbon atoms as well as carboxyl and hydroxyl groups. With growth of the substrate temperature, the film thickness reduced monotonically from 400 to 180 nm, while the film adhesion improved substantially. The films, deposited at lower temperatures, showed high hydrophilicity due to porosity and presence of oxygenated groups both at the surface and in the bulk.

  13. Melting and Pressure-Induced Amorphization of Quartz

    OpenAIRE

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

    1997-01-01

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

  14. 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

  15. 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.

  16. Obstacles using amorphous materials for volume applications

    Energy Technology Data Exchange (ETDEWEB)

    Kiessling, Albert [Festo AG and Co. KG, 73734, Esslingen (Germany); Reininger, Thomas, E-mail: drn@de.festo.com [Festo AG and Co. KG, 73734, Esslingen (Germany)

    2012-10-15

    This contribution is especially focussed on the attempt to use amorphous or nanocrystalline metals in position sensor applications and to describe the difficulties and obstacles encountered in coherence with the development of appropriate industrial high volume series products in conjunction with the related quality requirements. The main motivation to do these investigations was to beat the generally known sensors especially silicon based Hall-sensors as well as AMR- and GMR-sensors - well known from mobile phones and electronic storage devices like hard discs and others - in terms of cost-effectiveness and functionality.

  17. A simple fluxgate magnetometer using amorphous alloys

    International Nuclear Information System (INIS)

    Ghatak, S.K.; Mitra, A.

    1992-01-01

    A simple fluxgate magnetometer is developed using low magnetostrictive ferromagnetic amorphous alloy acting as a sensing element. It uses the fact that the magnetization of sensing element symmetrically magnetized by a sinusoidal field contains even harmonic components in presence of dc signal field H and the amplitude of the second harmonic component of magnetization is proportional to H. The sensitivity and linearity of the magnetometer with signal field are studied for parallel configuration and the field ranging from 10 nT to 10 μT can be measured. The functioning of the magnetometer is demonstrated by studying the shielding and flux-trapping phenomena in high-Tc superconductor. (orig.)

  18. Mechanism for hydrogen diffusion in amorphous silicon

    International Nuclear Information System (INIS)

    Biswas, R.; Li, Q.; Pan, B.C.; Yoon, Y.

    1998-01-01

    Tight-binding molecular-dynamics calculations reveal a mechanism for hydrogen diffusion in hydrogenated amorphous silicon. Hydrogen diffuses through the network by successively bonding with nearby silicons and breaking their Si endash Si bonds. The diffusing hydrogen carries with it a newly created dangling bond. These intermediate transporting states are densely populated in the network, have lower energies than H at the center of stretched Si endash Si bonds, and can play a crucial role in hydrogen diffusion. copyright 1998 The American Physical Society

  19. On the crystallization of amorphous germanium films

    Science.gov (United States)

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

    1993-06-01

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

  20. Impulse holograms in amorphous semiconductor films

    International Nuclear Information System (INIS)

    Ozols, A.; Ivanovs, G.; Lazarevs, S.

    2002-01-01

    Impulse hologram recording in amorphous chalcogenide semiconductor films with pulse duration from minutes to picoseconds is considered. Nanosecond pulses are shown to be optimal due to the nonlinearity to films. Millisecond impulse hologram recording is experimentally studied. It is found that about 500 times lower exposure is needed to reach the same diffraction efficiency when compared to CW case. The millisecond recording is non-permanent. A nonlinear photoinduced recharging of localized states in the band gap is found to be responsible for the millisecond recording. It can be applied for non-permanent optical storage and optical information processing. (authors)

  1. 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

  2. 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%.

  3. Amorphous track models: a numerical comparison study

    DEFF Research Database (Denmark)

    Greilich, Steffen; Grzanka, Leszek; Hahn, Ute

    in carbon ion treatment at the particle facility HIT in Heidelberg. Apparent differences between the LEM and the Katz model are the way how interactions of individual particle tracks and how extended targets are handled. Complex scenarios, however, can mask the actual effect of these differences. Here, we......Amorphous track models such as Katz' Ion-Gamma-Kill (IGK) approach [1, 2] or the Local Effect Model (LEM) [3, 4] had reasonable success in predicting the response of solid state dosimeters and radiobiological systems. LEM is currently applied in radiotherapy for biological dose optimization...

  4. Photoconductivity response time in amorphous semiconductors

    Science.gov (United States)

    Adriaenssens, G. J.; Baranovskii, S. D.; Fuhs, W.; Jansen, J.; Öktü, Ö.

    1995-04-01

    The photoconductivity response time of amorphous semiconductors is examined theoretically on the basis of standard definitions for free- and trapped-carrier lifetimes, and experimentally for a series of a-Si1-xCx:H alloys with xgeneration rate and temperature. As no satisfactory agreement between models and experiments emerges, a simple theory is developed that can account for the experimental observations on the basis of the usual multiple-trappping ideas, provided a small probability of direct free-carrier recombination is included. The theory leads to a stretched-exponential photocurrent decay.

  5. 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...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-05-01

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

  7. 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

  8. Accelerated Physical Stability Testing of Amorphous Dispersions.

    Science.gov (United States)

    Mehta, Mehak; Suryanarayanan, Raj

    2016-08-01

    The goal was to develop an accelerated physical stability testing method of amorphous dispersions. Water sorption is known to cause plasticization and may accelerate drug crystallization. In an earlier investigation, it was observed that both the increase in mobility and decrease in stability in amorphous dispersions was explained by the "plasticization" effect of water (Mehta et al. Mol. Pharmaceutics 2016, 13 (4), 1339-1346). In this work, the influence of water concentration (up to 1.8% w/w) on the correlation between mobility and crystallization in felodipine dispersions was investigated. With an increase in water content, the α-relaxation time as well as the time for 1% w/w felodipine crystallization decreased. The relaxation times of the systems, obtained with different water concentration, overlapped when the temperature was scaled (Tg/T). The temperature dependencies of the α-relaxation time as well as the crystallization time were unaffected by the water concentration. Thus, the value of the coupling coefficient, up to a water concentration of 1.8% w/w, was approximately constant. Based on these findings, the use of "water sorption" is proposed to build predictive models for crystallization in slow crystallizing dispersions.

  9. Structural Analyses of Phase Stability in Amorphous and Partially Crystallized Ge-Rich GeTe Films Prepared by Atomic Layer Deposition.

    Science.gov (United States)

    Gwon, Taehong; Mohamed, Ahmed Yousef; Yoo, Chanyoung; Park, Eui-Sang; Kim, Sanggyun; Yoo, Sijung; Lee, Han-Koo; Cho, Deok-Yong; Hwang, Cheol Seong

    2017-11-29

    The local bonding structures of Ge x Te 1-x (x = 0.5, 0.6, and 0.7) films prepared through atomic layer deposition (ALD) with Ge(N(Si(CH 3 ) 3 ) 2 ) 2 and ((CH 3 ) 3 Si) 2 Te precursors were investigated using Ge K-edge X-ray absorption spectroscopy (XAS). The results of the X-ray absorption fine structure analyses show that for all of the compositions, the as-grown films were amorphous with a tetrahedral Ge coordination of a mixture of Ge-Te and Ge-Ge bonds but without any signature of Ge-GeTe decomposition. The compositional evolution in the valence band electronic structures probed through X-ray photoelectron spectroscopy suggests a substantial chemical influence of additional Ge on the nonstoichiometric GeTe. This implies that the ALD process can stabilize Ge-abundant bonding networks like -Te-Ge-Ge-Te- in amorphous GeTe. Meanwhile, the XAS results on the Ge-rich films that had undergone post-deposition annealing at 350 °C show that the parts of the crystalline Ge-rich GeTe became separated into Ge crystallites and rhombohedral GeTe in accordance with the bulk phase diagram, whereas the disordered GeTe domains still remained, consistent with the observations of transmission electron microscopy and Raman spectroscopy. Therefore, amorphousness in GeTe may be essential for the nonsegregated Ge-rich phases and the low growth temperature of the ALD enables the achievement of the structurally metastable phases.

  10. 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

  11. 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)

  12. Mechanics of amorphous solids—identification and constitutive modelling

    NARCIS (Netherlands)

    van Dommelen, J.A.W.; Estevez, R.

    2018-01-01

    Both polymers and metals can be in an organised crystalline or amorphous glassy state, where for polymers usually at least a part of the structure is amorphous and metals are in a glassy state only when processed under special conditions. At the 15th European Mechanics of Materials Conference in

  13. Threshold irradiation dose for amorphization of silicon carbide

    International Nuclear Information System (INIS)

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

    1997-01-01

    The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface or strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be ∼0.56eV. This model successfully explains the difference in the temperature dependent amorphization behavior of SiC irradiated with 0.56 MeV Si + at 1 x 10 -3 dpa/s and with fission neutrons irradiated at 1 x 10 -6 dpa/s irradiated to 15 dpa in the temperature range of ∼340±10K

  14. 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

  15. Elemental process of amorphization induced by electron irradiation in Si

    International Nuclear Information System (INIS)

    Yamasaki, Jun; Takeda, Seiji; Tsuda, Kenji

    2002-01-01

    We recently found that amorphization is induced in Si by electron irradiation. Examining the amorphization systematically, we have established the diagram of steady states under electron irradiation, either amorphous Si (a-Si) or crystalline Si (c-Si) as a function of incident electron energy, electron dose, and irradiation temperature. Utilizing transmission electron microscopy, electron energy filtered diffraction and electron energy-loss spectroscopy, we have characterized the atomic structure, the electronic structure, and the thermal stability of a-Si induced by electron irradiation. Based on the experimental data, we have also concluded that the amorphization is caused by the accumulation of not point defects but small cascade damages. Analyzing the change in the intensity of halo diffraction rings during amorphization, we have clarified that the smallest cascade damage that contributes to amorphization includes only about four Si atoms. This presumably supports the amorphization mechanism that four self-interstitial atoms form the quasistable structure I4 in c-Si and it becomes an amorphous embryo

  16. Threshold irradiation dose for amorphization of silicon carbide

    International Nuclear Information System (INIS)

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

    1997-01-01

    The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface of strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be ∼0.56 eV. This model successfully explains the difference in the temperature-dependent amorphization behavior of SiC irradiated with 0.56 MeV silicon ions at 1 x 10 -3 dpa/s and with fission neutrons irradiated at 1 x 10 -6 dpa/s irradiated to 15 dpa in the temperature range of ∼340 ± 10K

  17. Superlattice doped layers for amorphous silicon photovoltaic cells

    Science.gov (United States)

    Arya, Rajeewa R.

    1988-01-12

    Superlattice doped layers for amorphous silicon photovoltaic cells comprise a plurality of first and second lattices of amorphous silicon alternatingly formed on one another. Each of the first lattices has a first optical bandgap and each of the second lattices has a second optical bandgap different from the first optical bandgap. A method of fabricating the superlattice doped layers also is disclosed.

  18. Ductile fracture surface morphology of amorphous metallic alloys

    NARCIS (Netherlands)

    Miskuf, J; Csach, K; Ocelik, [No Value; Bengus, VZ; Tabachnikova, ED; Duhaj, P; Ocelik, Vaclav

    1999-01-01

    Fracture surfaces of ductile failure of two types bulk amorphous metallic alloys were studied using quantitative and qualitative fractographic analysis. The observed fractographic behaviour of ductile failure in comparison with the ductile failure of amorphous alloy ribbons shows signs of the same

  19. 21. Colloquium on metallurgy. Amorphous alloys and materials

    International Nuclear Information System (INIS)

    1979-01-01

    Twenty-two papers were presented at the 21st colloquium on metallurgy of amorphous alloys and materials. They deal with the applications, the various types, the preparation methods, the structure, the magnetic and thermodynamic properties and the structure defects of the amorphous materials [fr

  20. Principles and operation of crystalline and amorphous silicon solar cells

    International Nuclear Information System (INIS)

    Chambouleyron, I.

    1983-01-01

    This paper deals with the fundamental aspects of photovoltaic energy conversion. Crystalline silicon solar cell physics together with design criteria and conversion losses are discussed. The general properties of hydrogenated amorphous silicon and the principles of a-Si:H solar cell operation are briefly reviewed. New trends in amorphous materials of photovoltaic interest and novel device structures are finally presented. (Author) [pt

  1. Creep of FINEMET alloy at amorphous to nanocrystalline transition

    NARCIS (Netherlands)

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

    2009-01-01

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

  2. Operating method of amorphous thin film semiconductor element

    Energy Technology Data Exchange (ETDEWEB)

    Mori, Koshiro; Ono, Masaharu; Hanabusa, Akira; Osawa, Michio; Arita, Takashi

    1988-05-31

    The existing technologies concerning amorphous thin film semiconductor elements are the technologies concerning the formation of either a thin film transistor or an amorphous Si solar cell on a substrate. In order to drive a thin film transistor for electronic equipment control by the output power of an amorphous Si solar cell, it has been obliged to drive the transistor weth an amorphous solar cell which was formed on a substrate different from that for the transistor. Accordingly, the space for the amorphous solar cell, which was formed on the different substrate, was additionally needed on the substrate for the thin film transistor. In order to solve the above problem, this invention proposes an operating method of an amorphous thin film semiconductor element that after forming an amorphous Si solar cell through lamination on the insulation coating film which covers the thin film transistor formed on the substrate, the thin film transistor is driven by the output power of this solar cell. The invention eliminates the above superfluous space and reduces the size of the amorphous thin film semiconductor element including the electric source. (3 figs)

  3. Development of shear bands in amorphous-crystalline metallic alloys

    International Nuclear Information System (INIS)

    Pozdnyakov, V.A.

    2004-01-01

    A theoretical study is made into conditions of shear band evolution in amorphous-crystalline alloys with various morphological types of structural constituents. The condition of shear band evolution in thin amorphous alloys in the interior of the crystalline matrix is obtained. It is shown that a scale effect exists which manifests itself in suppression of the process of localized plastic flow with amorphous alloy thickness decreasing down to the limit. The analysis of the condition for shear band evolution in an amorphous alloy with nanocrystalline inclusions is accomplished. The relationship of a critical stress of shear band evolution to a volume fraction of disperse crystal inclusions is obtained. A consideration is also given to the evolution of shear bands in the material containing amorphous and crystalline areas of micro meter size. For the alloy with the structure of this type conditions for propagation of localized flows by a relay race type mechanism are determined [ru

  4. 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)

  5. 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

  6. Decoration of the Truncated Tetrahedron—An Archimedean Polyhedron—To Produce a New Class of Convex Equilateral Polyhedra with Tetrahedral Symmetry

    Directory of Open Access Journals (Sweden)

    Stan Schein

    2016-08-01

    Full Text Available The Goldberg construction of symmetric cages involves pasting a patch cut out of a regular tiling onto the faces of a Platonic host polyhedron, resulting in a cage with the same symmetry as the host. For example, cutting equilateral triangular patches from a 6.6.6 tiling of hexagons and pasting them onto the full triangular faces of an icosahedron produces icosahedral fullerene cages. Here we show that pasting cutouts from a 6.6.6 tiling onto the full hexagonal and triangular faces of an Archimedean host polyhedron, the truncated tetrahedron, produces two series of tetrahedral (Td fullerene cages. Cages in the first series have 28n2 vertices (n ≥ 1. Cages in the second (leapfrog series have 3 × 28n2. We can transform all of the cages of the first series and the smallest cage of the second series into geometrically convex equilateral polyhedra. With tetrahedral (Td symmetry, these new polyhedra constitute a new class of “convex equilateral polyhedra with polyhedral symmetry”. We also show that none of the other Archimedean polyhedra, six with octahedral symmetry and six with icosahedral, can host full-face cutouts from regular tilings to produce cages with the host’s polyhedral symmetry.

  7. Structural characterization of rondorfite, calcium silica chlorine mineral containing magnesium in tetrahedral position [MgO4]6-, with the aid of the vibrational spectroscopies and fluorescence.

    Science.gov (United States)

    Dulski, M; Bulou, A; Marzec, K M; Galuskin, E V; Wrzalik, R

    2013-01-15

    Raman and infrared spectra of rondorfite Ca8Mg(SiO4)4Cl2, a calcium chlorosilica mineral containing magnesium in tetrahedral position, has been studied in terms of spectra-structure relations. Raman spectra have been measured at different excited laser lines: 780 nm, 532 nm, 488 nm and 457 nm. This mineral is characterized by a single sharp intense Raman band at 863 cm(-1) assigned to the ν1 [SiO4]4- (Ag) symmetric stretching mode in the magnesiosilicate pentamer. Due to symmetry restriction the other Raman bands have a small intensity. Two Raman bands observed at 564 cm(-1) and 526 cm(-1) are associated simultaneously with ν4 [MgO4]6- and ν4 [SiO4]4- symmetric and antisymmetric modes where magnesium occurs in the tetrahedral configuration. The weak bands at 422 cm(-1) and 386 cm(-1) are associated with the ν2 bending mode of CaO6 in octahedral configuration, respectively. Moreover the infrared spectrum shows very weak bands associated with the hydroxyl group and/or water molecule. Additionally, the strong fluorescence phenomenon was observed and related to the presence of chlorine atoms, magnesium Mg2+ ions in atypical configuration or point defects. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. Polarization Stability of Amorphous Piezoelectric Polyimides

    Science.gov (United States)

    Park, C.; Ounaies, Z.; Su, J.; Smith, J. G., Jr.; Harrison, J. S.

    2000-01-01

    Amorphous polyimides containing polar functional groups have been synthesized and investigated for potential use as high temperature piezoelectric sensors. The thermal stability of the piezoelectric effect of one polyimide was evaluated as a function of various curing and poling conditions under dynamic and static thermal stimuli. First, the polymer samples were thermally cycled under strain by systematically increasing the maximum temperature from 50 C to 200 C while the piezoelectric strain coefficient was being measured. Second, the samples were isothermally aged at an elevated temperature in air, and the isothermal decay of the remanent polarization was measured at room temperature as a function of time. Both conventional and corona poling methods were evaluated. This material exhibited good thermal stability of the piezoelectric properties up to 100 C.

  9. ANTIMONY INDUCED CRYSTALLIZATION OF AMORPHOUS SILICON

    Institute of Scientific and Technical Information of China (English)

    Y. Wang; H.Z. Li; C.N. Yu; G.M. Wu; I. Gordon; P. Schattschneider; O. Van Der Biest

    2007-01-01

    Antimony induced crystallization of PVD (physics vapor deposition) amorphous silicon can be observed on sapphire substrates. Very large crystalline regions up to several tens of micrometers can be formed. The Si diffraction patterns of the area of crystallization can be observed with TEM (transmission electron microscopy). Only a few and much smaller crystals of the order of 1μm were formed when the antimony layer was deposited by MBE(molecular beam epitaxy) compared with a layer formed by thermal evaporation. The use of high vacuum is essential in order to observe any Sb induced crystallization at all. In addition it is necessary to take measures to limit the evaporation of the antimony.

  10. 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.

  11. 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.

  12. Structural transformations in amorphous electrical steels

    International Nuclear Information System (INIS)

    D'yakonova, N.B.; Molotilov, B.V.; Vlasova, E.N.; Lyasotskij, I.V.

    2000-01-01

    The sequence of structural reactions at initial sages of crystallization of Fe-B-Si and Fe-B-Si-P amorphous ribbons is studied in the bulk and near the surface. It is shown that partial substitution of boron with phosphorus in Fe-Si-B-P alloys retards the surface crystallization a rising on annealing at temperatures typical for heat treatments applied to enhance magnetic properties. In spite of lower temperature of a bulk crystallization onset in phosphorus bearing alloys the beginning of surface crystallization shifts to high temperatures or to more long-term holding at given temperatures. This fact alloys varying annealing temperature and time in a wide range to attain needed magnetic properties as well as using retarded heating and cooling. It is of special importance when massive magnetic cores are heat treated [ru

  13. Properties of amorphous and microcrystalline superconductors

    International Nuclear Information System (INIS)

    Johnson, W.L.; Poon, S.J.

    1975-01-01

    Results of x-ray diffraction, electrical resistivity, critical field(H/sub c2/) and transport measurements are presented and discussed for bulk amorphous and microcrystalline transition metal alloys (Au--La, Nb--Rh, Nb--Ni--Rh, and Pd--Zr) obtained by liquid quenching. The transition temperature of the alloys is in the range 1.5 to 4.7 0 K. The J/sub c/--H/sub c2/--T/sub c/ relations are rather simple for this class of material and are compared with the theories of type II superconductors. The high resistance of bulk metallic glass to radiation damage might render them suitable for magnetic field applications in high radiation environments

  14. 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

  15. Spray drying formulation of amorphous solid dispersions.

    Science.gov (United States)

    Singh, Abhishek; Van den Mooter, Guy

    2016-05-01

    Spray drying is a well-established manufacturing technique which can be used to formulate amorphous solid dispersions (ASDs) which is an effective strategy to deliver poorly water soluble drugs (PWSDs). However, the inherently complex nature of the spray drying process coupled with specific characteristics of ASDs makes it an interesting area to explore. Numerous diverse factors interact in an inter-dependent manner to determine the final product properties. This review discusses the basic background of ASDs, various formulation and process variables influencing the critical quality attributes (CQAs) of the ASDs and aspects of downstream processing. Also various aspects of spray drying such as instrumentation, thermodynamics, drying kinetics, particle formation process and scale-up challenges are included. Recent advances in the spray-based drying techniques are mentioned along with some future avenues where major research thrust is needed. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. 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.

  17. Amorphous silicon-based microchannel plates

    International Nuclear Information System (INIS)

    Franco, Andrea; Riesen, Yannick; Wyrsch, Nicolas; Dunand, Sylvain; Powolny, François; Jarron, Pierre; Ballif, Christophe

    2012-01-01

    Microchannel plates (MCP) based on hydrogenated amorphous silicon (a-Si:H) were recently introduced to overcome some of the limitations of crystalline silicon and glass MCP. The typical thickness of a-Si:H based MCPs (AMCP) ranges between 80 and 100 μm and the micromachining of the channels is realized by deep reactive ion etching (DRIE). Advantages and issues regarding the fabrication process are presented and discussed. Electron amplification is demonstrated and analyzed using Electron Beam Induced Current (EBIC) technique. The gain increases as a function of the bias voltage, limited to −340 V on account of high leakage currents across the structure. EBIC maps on 10° tilted samples confirm that the device active area extend to the entire channel opening. AMCP characterization with the electron beam shows gain saturation and signal quenching which depends on the effectiveness of the charge replenishment in the channel walls.

  18. Nickel-induced crystallization of amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-05-01

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

  19. ELABORATION OF AMORPHOUS METALS AND GLASS TRANSITIONFORMATION AND CHARACTERIZATION OF AMORPHOUS METALS

    OpenAIRE

    Giessen , B.; Whang , S.

    1980-01-01

    This review deals with the definition of amorphous and glassy metals ; the principal methods for their preparation by atom-by-atom deposition, rapid liquid quenching and particle bombardment ; criteria for their formation, especially ready glass formation (RGF) and its alloy chemical foundations ; and their classification. This is followed by a discussion of their elastic and plastic properties (Young's modulus and microhardness) and thermal stability (glass transition and crystallization tem...

  20. 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).

  1. Investigations of metal contacts to amorphous evaporated Ge films and amorphous sputtered Si films

    International Nuclear Information System (INIS)

    Hafiz, M.; Mgbenu, E.; Tove, P.A.; Norde, H.; Petersson, S.

    1976-02-01

    Amorphous Ge or Si films have been used as ohmic contacts to high-resistivity n-silicon radiation detectors. One interesting property of this contact is that it does not inject minority carriers even when the depletion region extends up to the contact thus generating an extracting field there. The function of this contact is not yet fully explored. One part problem is the role of the metal films used as external contacts to the amorphous film. In this report the function of different contacting metals, such as Au, Al, Cr are investigated by measuring the I-V-characteristics of sandwich structures with two metals on both sides of the amorphous evaporated (Ge) and sputtered (Si) film (of typical thickness 1000 A). It was found that while the symmetric structures Au-αGe-Au and Cr-αGe-Cr were low-resistive (leading to resistivity values of approximately 10 5 Ωcm for the αGe film), Al-αGe-Al structures showed much higher resistance and were also polarity dependent. The former feature was found also for unsymmetric structures, i.e. Cr-αGe-Au, Cr-αGe-Al. (Auth.)

  2. Defects in Amorphous Semiconductors: The Case of Amorphous Indium Gallium Zinc Oxide

    Science.gov (United States)

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

    2018-05-01

    Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a -IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal—metal or oxygen—oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a -IGZO, the most important point defects are metal—metal bonds (or small metal clusters) and peroxides (O - O single bonds). Electrons are captured by metal—metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a -IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive- and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.

  3. 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

  4. In search of amorphization-resistant boron carbide

    International Nuclear Information System (INIS)

    Subhash, Ghatu; Awasthi, Amnaya P.; Kunka, Cody; Jannotti, Phillip; DeVries, Matthew

    2016-01-01

    Despite its superior mechanical properties, boron carbide suffers from amorphization, a pressure-induced phenomenon that disturbs crystalline order and likely reduces shear strength. Numerous experimental and computational studies have investigated the structure and origins of amorphization, yet strategies to mitigate this deleterious phenomenon elude. However, recent investigations have revealed three new research avenues for addressing this issue. First, we identify crystallographic cage spaces that may accommodate foreign atoms to potentially prevent structural collapse. Second, we propose polymorph-level tailoring through strict control of processing conditions. Finally, we demonstrate that reducing grain size to nanometer scale increases hardness and may counter amorphization.

  5. Emerging trends in the stabilization of amorphous drugs

    DEFF Research Database (Denmark)

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

    2013-01-01

    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...... of mesoporous silicon and silica-based carriers are presented as potential means to increase the stability of amorphous pharmaceuticals....

  6. 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...

  7. The nature of the photoluminescence in amorphized PZT

    International Nuclear Information System (INIS)

    Silva, M.S.; Cilense, M.; Orhan, E.; Goes, M.S.; Machado, M.A.C.; Santos, L.P.S.; Paiva-Santos, C.O.; Longo, E.; Varela, J.A.; Zaghete, M.A.; Pizani, P.S.

    2005-01-01

    The polymeric precursor method was used to synthesize lead zirconate titanate powder (PZT). The crystalline powder was then amorphized by a high-energy ball milling process during 120 h. A strong photoluminescence emission was observed at room temperature for the amorphized PZT powder. The powders were characterized by XRD and the percentage of amorphous phase was calculated through Rietveld refinement. The microstructure for both phases was investigated by TEM. The optical gap was calculated through the Wood and Tauc method using the UV-Vis. data. Quantum mechanical calculations were carried out to give an interpretation of the photoluminescence in terms of electronic structure

  8. 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.

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

    Science.gov (United States)

    Petö, G.; Kanski, J.

    1995-12-01

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

  10. Intrinsic charge trapping in amorphous oxide films: status and challenges

    Science.gov (United States)

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

    2018-06-01

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

  11. 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.

  12. 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.)

  13. 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.).

  14. 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.)

  15. Nonaffinity in amorphous solids close to the jamming transition

    Directory of Open Access Journals (Sweden)

    Arévalo Roberto

    2017-01-01

    Full Text Available Nonaffinity is known to be an integral part of the response of amorphous solids. Its role is particularly relevant in particulate systems close to their jamming transition, where it dominates the elastic response. Thus, to determine the elastic properties of amorphous solids it is essential to rationalize the features of their nonaffine response. Via numerical simulations we investigate the relation between the non affine response and the vibrational properties of model amorphous materials. We show that, contrary to previous speculations, modes below the Boson peak are those mostly responsible for the nonaffine response.

  16. 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

  17. 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

  18. Structural and electrical properties of amorphous carbon–sulfur ...

    Indian Academy of Sciences (India)

    Unknown

    Amorphous carbon films; pyrolysis; scanning electron microscopy; electrical properties; thermal analysis. 1. Introduction ... phorus compounds may have useful mechanical or elec- .... SEM images of a-C:S samples with different S/P values.

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

    International Nuclear Information System (INIS)

    Runchev, Dobre; Dorn, Lutc; Jaferi, Seifolah; Purbst, Detler

    1997-01-01

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

  20. 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).

  1. 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)

  2. 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.

  3. Glass transition and intermixing of amorphous water and methanol

    International Nuclear Information System (INIS)

    Souda, Ryutaro

    2004-01-01

    The diffusion of molecules in amorphous water and methanol films has been investigated on the basis of time-of-flight secondary ion mass spectrometry as a function of temperature. The glass-liquid transition of the amorphous water film occurs at 130-145 K as confirmed from the surface segregation of embedded methanol molecules. The morphology of the pure amorphous water film changes drastically at 160 K as a consequence of dewetting induced by the surface tension and the strongly decreased viscosity of the film. The morphology of the amorphous methanol film changes at 115 K following the self-diffusion onset at 80 K. The binary films of water and heavy methanol are intermixed completely at 136 K as evidenced by the occurrence of the H/D exchange

  4. Amorphous silica from rice husk at various temperatures

    International Nuclear Information System (INIS)

    Javed, S.J.; Feroze, N.; Tajwar, S.

    2008-01-01

    Rice husk is being used as a source of energy in many heat generating system because of its high calorific value and its availability in many rice producing areas. Rice husk contains approximately 20% silica which is presented in hydrated form. This hydrated silica can be retrieved as amorphous silica under controlled thermal conditions. Uncontrolled burning of rice husk produces crystalline silica which is not reactive silica but can be used as filler in many applications. Amorphous silica is reactive silica which has better market value due to its reactive nature in process industry. The present study deals with the production of amorphous silica at various temperatures from rice husk. Various ashes were prepared in tube furnace by changing the burning temperatures for fixed time intervals and analyzed by XRD. It has been observed that for two hours calculation's of rice husk renders mostly amorphous silica at 650 degree C where as at higher temperatures crystalline silica was obtained. (author)

  5. Moessbauer study of amorphous Fe-P alloys

    International Nuclear Information System (INIS)

    Takacs, L.; Toth-Kadar, E.

    1981-01-01

    Preliminary Moessbauer results are represented on electrodeposited Fe-P amorphous alloys. Very broad hyperfine field distributions and relatively large isomer shifts have been found. Problems worth of further investigation are discussed in details. (author)

  6. An In-depth Study on Semitransparent amorphous Silicon Sensors

    International Nuclear Information System (INIS)

    Fernandez, M. G.; Ferrando, A.; Josa, M. I.; Molinero, A.; Oller, J. C.; Arce, P.; Calvo, E.; Figueroa, C. F.; Garcia, N.; Rodrigo, T.; Vila, I.; Virto, A. L.

    1999-01-01

    Semitransparent amorphous silicon sensors have been proposed as the 2D positioning sensors for the link system of the CMS alignment: An in-depth study of the actual performance of these sensors is here reported. (Author) 8 refs

  7. Stabilization of amorphous calcium carbonate by controlling its particle size

    NARCIS (Netherlands)

    Nudelman, F.; Sonmezler, E.; Bomans, P.H.H.; With, de G.; Sommerdijk, N.A.J.M.

    2010-01-01

    Amorphous calcium carbonate (ACC) nanoparticles of different size are prepared using a flow system. Post-synthesis stabilization with a layer of poly[(a,ß)-DL-aspartic acid] leads to stabilization of the ACC, but only for particles

  8. Structure and low temperature thermal relaxation of amorphized germanium

    International Nuclear Information System (INIS)

    Glover, C.J.; Ridgway, M.C.; Byrne, A.P.; Clerc, C.; Hansen, J.L.; Larsen, A.N.

    1999-01-01

    The structure of implantation-induced damage in amorphized Ge has been investigated using high resolution extended x-ray absorption fine structure spectroscopy (EXAFS). EXAFS data analysis was performed with the Cumulant Method, allowing a full reconstruction of the interatomic distance distribution (RDF). For the case of MeV implantation at -196 deg C, for an ion-dose range extending two orders of magnitude beyond that required for amorphization, a dose-dependent asymmetric RDF was determined for the amorphous phase including an increase in bond-length as a function of ion dose. Low-temperature thermal annealing resulted in structural relaxation of the amorphous phase as evidenced by a reduction in the centroid, asymmetry and width of the RDF. Such an effect was attributed to the formation (and subsequent annihilation) of three- and five-fold Co-ordinated atoms, comparing favourably to theoretical simulations of the structure of a-Ge

  9. 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

  10. 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

  11. High-density amorphous ice: nucleation of nanosized low-density amorphous ice

    Science.gov (United States)

    Tonauer, Christina M.; Seidl-Nigsch, Markus; Loerting, Thomas

    2018-01-01

    The pressure dependence of the crystallization temperature of different forms of expanded high-density amorphous ice (eHDA) was scrutinized. Crystallization at pressures 0.05-0.30 GPa was followed using volumetry and powder x-ray diffraction. eHDA samples were prepared via isothermal decompression of very high-density amorphous ice at 140 K to different end pressures between 0.07-0.30 GPa (eHDA0.07-0.3). At 0.05-0.17 GPa the crystallization line T x (p) of all eHDA variants is the same. At pressures  >0.17 GPa, all eHDA samples decompressed to pressures  <0.20 GPa exhibit significantly lower T x values than eHDA0.2 and eHDA0.3. We rationalize our findings with the presence of nanoscaled low-density amorphous ice (LDA) seeds that nucleate in eHDA when it is decompressed to pressures  <0.20 GPa at 140 K. Below ~0.17 GPa, these nanosized LDA domains are latent within the HDA matrix, exhibiting no effect on T x of eHDA<0.2. Upon heating at pressures  ⩾0.17 GPa, these nanosized LDA nuclei transform to ice IX nuclei. They are favored sites for crystallization and, hence, lower T x . By comparing crystallization experiments of bulk LDA with the ones involving nanosized LDA we are able to estimate the Laplace pressure and radius of ~0.3-0.8 nm for the nanodomains of LDA. The nucleation of LDA in eHDA revealed here is evidence for the first-order-like nature of the HDA  →  LDA transition, supporting water’s liquid-liquid transition scenarios.

  12. Nanomechanics of slip avalanches in amorphous plasticity

    Science.gov (United States)

    Cao, Penghui; Dahmen, Karin A.; Kushima, Akihiro; Wright, Wendelin J.; Park, Harold S.; Short, Michael P.; Yip, Sidney

    2018-05-01

    Discrete stress relaxations (slip avalanches) in a model metallic glass under uniaxial compression are studied using a metadynamics algorithm for molecular simulation at experimental strain rates. The onset of yielding is observed at the first major stress drop, accompanied, upon analysis, by the formation of a single localized shear band region spanning the entire system. During the elastic response prior to yielding, low concentrations of shear transformation deformation events appear intermittently and spatially uncorrelated. During serrated flow following yielding, small stress drops occur interspersed between large drops. The simulation results point to a threshold value of stress dissipation as a characteristic feature separating major and minor avalanches consistent with mean-field modeling analysis and mechanical testing experiments. We further interpret this behavior to be a consequence of a nonlinear interplay of two prevailing mechanisms of amorphous plasticity, thermally activated atomic diffusion and stress-induced shear transformations, originally proposed by Spaepen and Argon, respectively. Probing the atomistic processes at widely separate strain rates gives insight to different modes of shear band formation: percolation of shear transformations versus crack-like propagation. Additionally a focus on crossover avalanche size has implications for nanomechanical modeling of spatially and temporally heterogeneous dynamics.

  13. 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.

  14. Radiochemical studies on amorphous zirconium phosphate

    Energy Technology Data Exchange (ETDEWEB)

    Dyer, A; Moores, G E [Salford Univ. (UK). Dept. of Chemistry and Applied Chemistry

    1981-01-01

    Amorphous zirconium phosphate (ZrP) is used in some hemodialysis machines for the regeneration of dialysate. Its function is to adsorb ammonium ions formed by the pretreatment of urea by urease. It also adsorbs Ca, Mg and K ions but leaches phosphate ions which are then removed (along with F/sup -/ ions) by a bed of hydrous zirconium oxide. The sodium form of ZrP is used although other forms have been suggested for use. The work reported here describes some preliminary radiochemical studies on the mechanism of release of phosphate ions and its possible relationship to sodium ion-exchange. /sup 32/P labelled material (HHZrP) was used for elution experiments with deionized water and buffer solutions having the pH's 4.2, 7.0 and 9.2. Buffer solutions used were as supplied by BDH. Elution was at four different temperatures in the range 293 to 363/sup 0/C. In the second series of experiments HHZrP was suspended in a NaCl solution labelled with /sup 22/Na. From this, /sup 22/Na labelled ZrP (NaHZrP) was prepared and eluted in the same way as the HHZrP. Results are given and discussed.

  15. 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.

  16. Aluminium based amorphous and nanocrystalline structure

    Energy Technology Data Exchange (ETDEWEB)

    Sitek, Jozef; Degmova, Jarmila, E-mail: jarmila.degmova@stuba.sk [Slovak University of Technology, Department of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information Technology (Slovakia)

    2005-09-15

    Aluminium based rapidly quenched alloys of nominal composition Al{sub 90}Fe{sub 7}Nb{sub 3} and Al{sub 94}Fe{sub 2}V{sub 4} were studied by Moessbauer spectroscopy. Samples annealed up to 573 K showed amorphous structure represented by quadrupole doublet. From corrected spectra areas the values of f-factor were calculated. In the case of AlFeNb samples f-factor was estimated as f = 0.26 and for AlFeV f = 0.31. The corresponding Debye temperatures were also calculated. Higher temperature annealing at 773 and 873 K induced deformation of nano- and microcrystalline state. Moessbauer spectra of samples of both compositions (with vanadium as well as with niobium) annealed at 773 K showed superposition of crystalline phases with dominant role of Al{sub 3}Fe alloy. During annealing at 873 K, phases with large grains and small amount of FeAl metastable phase were developed (Das et al. Mat. Sci. Eng., A304-A306, 159, 2001; Illekova et al. Mat. Sci. Eng., A375-A377, 946, 2004).

  17. Aluminium based amorphous and nanocrystalline structure

    International Nuclear Information System (INIS)

    Sitek, Jozef; Degmova, Jarmila

    2005-01-01

    Aluminium based rapidly quenched alloys of nominal composition Al 90 Fe 7 Nb 3 and Al 94 Fe 2 V 4 were studied by Moessbauer spectroscopy. Samples annealed up to 573 K showed amorphous structure represented by quadrupole doublet. From corrected spectra areas the values of f-factor were calculated. In the case of AlFeNb samples f-factor was estimated as f = 0.26 and for AlFeV f = 0.31. The corresponding Debye temperatures were also calculated. Higher temperature annealing at 773 and 873 K induced deformation of nano- and microcrystalline state. Moessbauer spectra of samples of both compositions (with vanadium as well as with niobium) annealed at 773 K showed superposition of crystalline phases with dominant role of Al 3 Fe alloy. During annealing at 873 K, phases with large grains and small amount of FeAl metastable phase were developed (Das et al. Mat. Sci. Eng., A304-A306, 159, 2001; Illekova et al. Mat. Sci. Eng., A375-A377, 946, 2004).

  18. Synthesis of Antimony Doped Amorphous Carbon Films

    Science.gov (United States)

    Okuyama, H.; Takashima, M.; Akasaka, H.; Ohtake, N.

    2013-06-01

    We report the effects of antimony (Sb) doping on the electrical and optical properties of amorphous carbon (a-C:H) films grown on silicon and copper substrates by magnetron sputtering deposition. For film deposition, the mixture targets fabricated from carbon and antimony powders was used. The atomic concentration of carbon, hydrogen, and antimony, in the film deposited from the 1.0 mol% Sb containing target were 81, 17, 2 at.%, respectively. These elements were homogeneously distributed in the film. On the structural effect, the average continuous sp2 carbon bonding networks decreased with Sb concentration increasing, and defects in the films were increased with the Sb incorporation because atomic radius of Sb atoms is twice larger size than that of carbon. The optical gap and the electrical resistivity were carried out before and after the Sb doping. The results show that optical gap dropped from 3.15 to 3.04 eV corresponding to non-doping to Sb-doping conditions, respectively. The electrical resistivity reduced from 10.5 to 1.0 MΩm by the Sb doping. These results suggest the doping level was newly formed in the forbidden band.

  19. Synthesis of Antimony Doped Amorphous Carbon Films

    International Nuclear Information System (INIS)

    Okuyama, H; Takashima, M; Akasaka, H; Ohtake, N

    2013-01-01

    We report the effects of antimony (Sb) doping on the electrical and optical properties of amorphous carbon (a-C:H) films grown on silicon and copper substrates by magnetron sputtering deposition. For film deposition, the mixture targets fabricated from carbon and antimony powders was used. The atomic concentration of carbon, hydrogen, and antimony, in the film deposited from the 1.0 mol% Sb containing target were 81, 17, 2 at.%, respectively. These elements were homogeneously distributed in the film. On the structural effect, the average continuous sp 2 carbon bonding networks decreased with Sb concentration increasing, and defects in the films were increased with the Sb incorporation because atomic radius of Sb atoms is twice larger size than that of carbon. The optical gap and the electrical resistivity were carried out before and after the Sb doping. The results show that optical gap dropped from 3.15 to 3.04 eV corresponding to non-doping to Sb-doping conditions, respectively. The electrical resistivity reduced from 10.5 to 1.0 MΩm by the Sb doping. These results suggest the doping level was newly formed in the forbidden band.

  20. Dynamics of viscoplastic deformation in amorphous solids

    International Nuclear Information System (INIS)

    Falk, M.L.; Langer, J.S.

    1998-01-01

    We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal behavior typical of metallic glasses and other viscoplastic materials, specifically, reversible elastic deformation at small applied stresses, irreversible plastic deformation at larger stresses, a stress threshold above which unbounded plastic flow occurs, and a strong dependence of the state of the system on the history of past deformations. Microscopic observations suggest that a dynamically complete description of the macroscopic state of this deforming body requires specifying, in addition to stress and strain, certain average features of a population of two-state shear transformation zones. Our introduction of these state variables into the constitutive equations for this system is an extension of earlier models of creep in metallic glasses. In the treatment presented here, we specialize to temperatures far below the glass transition and postulate that irreversible motions are governed by local entropic fluctuations in the volumes of the transformation zones. In most respects, our theory is in good quantitative agreement with the rich variety of phenomena seen in the simulations. copyright 1998 The American Physical Society

  1. Buckling instability in amorphous carbon films

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, X D [CAS Key Laboratory of Basic Plasma Physics, Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Narumi, K [Advanced Science Research Center, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan); Naramoto, H [Advanced Science Research Center, Japan Atomic Energy Agency, 1233 Watanuki, Takasaki, Gunma 370-1292 (Japan)

    2007-06-13

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

  2. Buckling instability in amorphous carbon films

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  3. Tetrahedral cluster and pseudo molecule: New approaches to Calculate Absolute Surface Energy of Zinc Blende (111)/(-1-1-1) Surface

    Science.gov (United States)

    Zhang, Yiou; Zhang, Jingzhao; Tse, Kinfai; Wong, Lun; Chan, Chunkai; Deng, Bei; Zhu, Junyi

    Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By calculating the energy contribution from pseudo-hydrogen using either a pseudo molecule method or a tetrahedral cluster method, we obtained (111)/(-1-1-1) surfaces energies of Si, GaP, GaAs, and ZnS with high self-consistency. Our findings may greatly enhance the basic understandings of different surfaces and lead to novel strategies in the crystal growth. We would like to thank Su-huai Wei for helpful discussions. Computing resources were provided by the High Performance Cluster Computing Centre, Hong Kong Baptist University. This work was supported by the start-up funding and direct Grant with the Project.

  4. On the ground-state degeneracy and entropy in a double-tetrahedral chain formed by the localized Ising spins and mobile electrons

    Science.gov (United States)

    Gálisová, Lucia

    2018-05-01

    Ground-state properties of a hybrid double-tetrahedral chain, in which the localized Ising spins regularly alternate with triangular plaquettes occupied by a variable number of mobile electrons, are exactly investigated. We demonstrate that the zero-temperature phase diagram of the model involves several non-degenerate, two-fold degenerate and macroscopically degenerate chiral phases. Low-temperature dependencies of the entropy and specific heat are also examined in order to gain a deeper insight into the degeneracy of individual ground-state phases and phase transitions. It is shown that a diversity of the ground-state degeneracy manifests itself in multiple-peak structures of both thermodynamic quantities. A remarkable temperature dependencies of the specific heat with two and three Schottky-type maxima are discussed in detail.

  5. COMPUTATIONAL EFFICIENCY OF A MODIFIED SCATTERING KERNEL FOR FULL-COUPLED PHOTON-ELECTRON TRANSPORT PARALLEL COMPUTING WITH UNSTRUCTURED TETRAHEDRAL MESHES

    Directory of Open Access Journals (Sweden)

    JONG WOON KIM

    2014-04-01

    In this paper, we introduce a modified scattering kernel approach to avoid the unnecessarily repeated calculations involved with the scattering source calculation, and used it with parallel computing to effectively reduce the computation time. Its computational efficiency was tested for three-dimensional full-coupled photon-electron transport problems using our computer program which solves the multi-group discrete ordinates transport equation by using the discontinuous finite element method with unstructured tetrahedral meshes for complicated geometrical problems. The numerical tests show that we can improve speed up to 17∼42 times for the elapsed time per iteration using the modified scattering kernel, not only in the single CPU calculation but also in the parallel computing with several CPUs.

  6. Threshold irradiation dose for amorphization of silicon carbide

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

    The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface of strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be {approximately}0.56 eV. This model successfully explains the difference in the temperature-dependent amorphization behavior of SiC irradiated with 0.56 MeV silicon ions at 1 x 10{sup {minus}3} dpa/s and with fission neutrons irradiated at 1 x 10{sup {minus}6} dpa/s irradiated to 15 dpa in the temperature range of {approximately}340 {+-} 10K.

  7. Thermal annealing of amorphous Ti-Si-O thin films

    OpenAIRE

    Hodroj , Abbas; Chaix-Pluchery , Odette; Audier , Marc; Gottlieb , Ulrich; Deschanvres , Jean-Luc

    2008-01-01

    International audience; Ti-Si-O thin films were deposited using an aerosol chemical vapor deposition process at atmospheric pressure. The film structure and microstructure were analysed using several techniques before and after thermal annealing. Diffraction results indicate that the films remain X-ray amorphous after annealing whereas Fourier transform infrared spectroscopy gives evidence of a phase segregation between amorphous SiO2 and well crystallized anatase TiO2. Crystallization of ana...

  8. 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)

  9. Fabrication of C60/amorphous carbon superlattice structures

    International Nuclear Information System (INIS)

    Kojima, Nobuaki; Ohshita, Yoshio; Yamaguchi, Masafumi

    2001-01-01

    The nitrogen doping effects in C 60 films by RF plasma source was investigated, and it was found that the nitrogen ion bombardment broke up C 60 molecules and changed them into amorphous carbon. Based on these results, formation of C 60 /amorphous carbon superlattice structure was proposed. The periodic structure of the resulted films was confirmed by XRD measurements, as the preliminary results of fabrication of the superlattice structure

  10. 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.

  11. Intrinsic graphene field effect transistor on amorphous carbon films

    OpenAIRE

    Tinchev, Savcho

    2013-01-01

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

  12. On the nature of amorphous polymorphism of water

    OpenAIRE

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

    2005-01-01

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

  13. Magnetic Properties of Nanometer-sized Crystalline and Amorphous Particles

    DEFF Research Database (Denmark)

    Mørup, Steen; Bødker, Franz; Hansen, Mikkel Fougt

    1997-01-01

    Amorphous transition metal-metalloid alloy particles can be prepared by chemical preparation techniques. We discuss the preparation of transition metal-boron and iron-carbon particles and their magnetic properties. Nanometer-sized particles of both crystalline and amorphous magnetic materials...... are superparamagnetic at finite temperatures. The temperature dependence of the superparamagnetic relaxation time and the influence of inter-particle interactions is discussed. Finally, some examples of studies of surface magnetization of alpha-Fe particles are presented....

  14. 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

  15. Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties

    International Nuclear Information System (INIS)

    Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Bud’ko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

    2015-01-01

    Single crystals of Nd 4 FeOS 6 were grown from an Fe–S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd 4 MnOSe 6 -type structure (P6 3 mc, a=9.2693(1) Å, c=6.6650(1)Å, V=495.94(1) Å 3 , Z=2), featuring parallel chains of face-sharing [FeS 6×1/2 ] 4− trigonal antiprisms and interlinked [Nd 4 OS 3 ] 4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd 4 clusters in the [Nd 4 OS 3 ] 4 + chains. Structural differences among Nd 4 MnOSe 6 -type Nd 4 FeOS 6 and the related La 3 CuSiS 7 − and Pr 8 CoGa 3 -type structures have been described. Magnetic susceptibility measurements on Nd 4 FeOS 6 suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions. - Graphical abstract: Trapping of oxygen in Nd 4 tetrahedral clusters results in the formation of the Nd 4 MnOSe 6 -type Nd 4 FeOS 6 , in contrast to the La 3 CuSiS 7 -type oxygen-free Nd 4 FeS 7 and related Pr 8 CoGa 3 -type structures. Complex magnetic frustration inhibits magnetic ordering at low temperature. - Highlights: • Single crystals of Nd 4 FeOS 6 were grown using self-flux method. • Oxygen was found trapped by Nd 4 tetrahedral clusters. • Comparison with two closely related structural types were discussed. • Magnetic measurements revealed antiferromagnetic (AFM) interaction. • VASP calculations confirmed strong magnetic frustration in AFM model

  16. Recent Development in the CESE Method for the Solution of the Navier-Stokes Equations Using Unstructured Triangular or Tetrahedral Meshes With High Aspect Ratio

    Science.gov (United States)

    Chang, Sin-Chung; Chang, Chau-Lyan; Yen, Joseph C.

    2013-01-01

    In the multidimensional CESE development, triangles and tetrahedra turn out to be the most natural building blocks for 2D and 3D spatial meshes. As such the CESE method is compatible with the simplest unstructured meshes and thus can be easily applied to solve problems with complex geometries. However, because the method uses space-time staggered stencils, solution decoupling may become a real nuisance in applications involving unstructured meshes. In this paper we will describe a simple and general remedy which, according to numerical experiments, has removed any possibility of solution decoupling. Moreover, in a real-world viscous flow simulation near a solid wall, one often encounters a case where a boundary with high curvature or sharp corner is surrounded by triangular/tetrahedral meshes of extremely high aspect ratio (up to 106). For such an extreme case, the spatial projection of a space-time compounded conservation element constructed using the original CESE design may become highly concave and thus its centroid (referred to as a spatial solution point) may lie far outside of the spatial projection. It could even be embedded beyond a solid wall boundary and causes serious numerical difficulties. In this paper we will also present a new procedure for constructing conservation elements and solution elements which effectively overcomes the difficulties associated with the original design. Another difficulty issue which was addressed more recently is the wellknown fact that accuracy of gradient computations involving triangular/tetrahedral grids deteriorates rapidly as the aspect ratio of grid cells increases. The root cause of this difficulty was clearly identified and several remedies to overcome it were found through a rigorous mathematical analysis. However, because of the length of the current paper and the complexity of mathematics involved, this new work will be presented in another paper.

  17. Effect of radiation-induced amorphization on smectite dissolution.

    Science.gov (United States)

    Fourdrin, C; Allard, T; Monnet, I; Menguy, N; Benedetti, M; Calas, G

    2010-04-01

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

  18. Amorphization, morphological instability and crystallization of krypton ion irradiated germanium

    International Nuclear Information System (INIS)

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

    1991-01-01

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

  19. Amorphous surface layers in Ti-implanted Fe

    International Nuclear Information System (INIS)

    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 16 at/cm 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 17 Ti/cm 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 17 Ti/cm 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 17 Ti/cm 2 produced an amorphous layer with a lower C concentration of approx. 10 at. % and a Ti concentration of approx. 20 at. %

  20. 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.

  1. Crystallization induced of amorphous silicon by nickel

    International Nuclear Information System (INIS)

    Schmidt, J.A; Rinaldi, P; Budini, N; Arce, R; Buitrago, R.H

    2008-01-01

    Polycrystalline silicon (pc-Si) deposited on glass substrates is a very promising material for the production of different electronic devices, like thin film transistors, active matrices or solar cells. The crystallization of the amorphous silicon to obtain pc-Si can be achieved with different processes, among which nickel-induced crystallization is because it requires low concentrations of the metal and low annealing temperatures. Nucleation and growth of crystalline silicon are measured by the formation of silicide NiSi 2 , which has a lattice constant very similar to that of Si, and acts as a seed upon which crystalline grains can develop. The size of the pc-Si final grain depends on many factors, such as the initial concentration of Ni, the annealing time and temperature, and the presence of other atoms in the Si structure. This work presents a study on the influence of these parameters on the silicon crystallization process induced by Ni. We deposited a series of hydrogenated amorphous silicon samples (a-Si:H) on glass substrates, using the plasma-enhanced chemical vapor deposition method (PE-CVD) with silane gas (SiH 4 ). The deposition temperature was 200 o C, and we prepared intrinsic samples (i), lightly doped with boron (p), heavily doped with boron (p + ) and heavily doped with phosphorous (n + ). Each sample was divided into eight portions, depositing different concentrations of Ni into each one using the cathodic sputtering method. The concentration of Ni was determined by atomic adsorption spectroscopy, and included from 1.5 1 0 15 to 1.5 1 0 16 at/cm 2 . Later the samples were submitted to different thermal treatments in a circulating nitrogen atmosphere. In order to avoid violent dehydrogenation of the a-Si:H that damages the samples, the annealing was carried out gradually. In a first stage the samples were heated at a velocity of 0.5 o C /min up to 400 o C, holding them for 24 hrs at this temperature in order to reach hydrogen effusion. Heating

  2. A transmission electron microscopy and X-ray photoelectron spectroscopy study of annealing induced γ-phase nucleation, clustering, and interfacial dynamics in reactively sputtered amorphous alumina thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A. K. Nanda, E-mail: aknk27@yahoo.com; Subramanian, B. [ECMS Division, Central Electro Chemical Research Institute, Karaikudi (India); Prasanna, S. [Department of Physics, PSG College of Technology, Coimbatore (India); Jayakumar, S. [Department of Physics, PSG Institute of Technology and Applied Research, Coimbatore (India); Rao, G. Mohan [Department of Instrumentation, Indian Institute of Science, Bangalore (India)

    2015-03-28

    Pure α-Al{sub 2}O{sub 3} exhibits a very high degree of thermodynamical stability among all metal oxides and forms an inert oxide scale in a range of structural alloys at high temperatures. We report that amorphous Al{sub 2}O{sub 3} thin films sputter deposited over crystalline Si instead show a surprisingly active interface. On annealing, crystallization begins with nuclei of a phase closely resembling γ-Alumina forming almost randomly in an amorphous matrix, and with increasing frequency near the substrate/film interface. This nucleation is marked by the signature appearance of sharp (400) and (440) reflections and the formation of a diffuse diffraction halo with an outer maximal radius of ≈0.23 nm enveloping the direct beam. The microstructure then evolves by a cluster-coalescence growth mechanism suggestive of swift nucleation and sluggish diffusional kinetics, while locally the Al ions redistribute slowly from chemisorbed and tetrahedral sites to higher anion coordinated sites. Chemical state plots constructed from XPS data and simple calculations of the diffraction patterns from hypothetically distorted lattices suggest that the true origins of the diffuse diffraction halo are probably related to a complex change in the electronic structure spurred by the a-γ transformation rather than pure structural disorder. Concurrent to crystallization within the film, a substantially thick interfacial reaction zone also builds up at the film/substrate interface with the excess Al acting as a cationic source.

  3. A transmission electron microscopy and X-ray photoelectron spectroscopy study of annealing induced γ-phase nucleation, clustering, and interfacial dynamics in reactively sputtered amorphous alumina thin films

    Science.gov (United States)

    Kumar, A. K. Nanda; Prasanna, S.; Subramanian, B.; Jayakumar, S.; Rao, G. Mohan

    2015-03-01

    Pure α-Al2O3 exhibits a very high degree of thermodynamical stability among all metal oxides and forms an inert oxide scale in a range of structural alloys at high temperatures. We report that amorphous Al2O3 thin films sputter deposited over crystalline Si instead show a surprisingly active interface. On annealing, crystallization begins with nuclei of a phase closely resembling γ-Alumina forming almost randomly in an amorphous matrix, and with increasing frequency near the substrate/film interface. This nucleation is marked by the signature appearance of sharp (400) and (440) reflections and the formation of a diffuse diffraction halo with an outer maximal radius of ≈0.23 nm enveloping the direct beam. The microstructure then evolves by a cluster-coalescence growth mechanism suggestive of swift nucleation and sluggish diffusional kinetics, while locally the Al ions redistribute slowly from chemisorbed and tetrahedral sites to higher anion coordinated sites. Chemical state plots constructed from XPS data and simple calculations of the diffraction patterns from hypothetically distorted lattices suggest that the true origins of the diffuse diffraction halo are probably related to a complex change in the electronic structure spurred by the a-γ transformation rather than pure structural disorder. Concurrent to crystallization within the film, a substantially thick interfacial reaction zone also builds up at the film/substrate interface with the excess Al acting as a cationic source.

  4. A transmission electron microscopy and X-ray photoelectron spectroscopy study of annealing induced γ-phase nucleation, clustering, and interfacial dynamics in reactively sputtered amorphous alumina thin films

    International Nuclear Information System (INIS)

    Kumar, A. K. Nanda; Subramanian, B.; Prasanna, S.; Jayakumar, S.; Rao, G. Mohan

    2015-01-01

    Pure α-Al 2 O 3 exhibits a very high degree of thermodynamical stability among all metal oxides and forms an inert oxide scale in a range of structural alloys at high temperatures. We report that amorphous Al 2 O 3 thin films sputter deposited over crystalline Si instead show a surprisingly active interface. On annealing, crystallization begins with nuclei of a phase closely resembling γ-Alumina forming almost randomly in an amorphous matrix, and with increasing frequency near the substrate/film interface. This nucleation is marked by the signature appearance of sharp (400) and (440) reflections and the formation of a diffuse diffraction halo with an outer maximal radius of ≈0.23 nm enveloping the direct beam. The microstructure then evolves by a cluster-coalescence growth mechanism suggestive of swift nucleation and sluggish diffusional kinetics, while locally the Al ions redistribute slowly from chemisorbed and tetrahedral sites to higher anion coordinated sites. Chemical state plots constructed from XPS data and simple calculations of the diffraction patterns from hypothetically distorted lattices suggest that the true origins of the diffuse diffraction halo are probably related to a complex change in the electronic structure spurred by the a-γ transformation rather than pure structural disorder. Concurrent to crystallization within the film, a substantially thick interfacial reaction zone also builds up at the film/substrate interface with the excess Al acting as a cationic source

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

    Science.gov (United States)

    Engstler, Justin; Giovambattista, Nicolas

    2017-08-01

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

  6. 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

  7. Incidence Angle Effect of Energetic Carbon Ions on Deposition Rate, Topography, and Structure of Ultrathin Amorphous Carbon Films Deposited by Filtered Cathodic Vacuum Arc

    KAUST Repository

    Wang, N.

    2012-07-01

    The effect of the incidence angle of energetic carbon ions on the thickness, topography, and structure of ultrathin amorphous carbon (a-C) films synthesized by filtered cathodic vacuum arc (FCVA) was examined in the context of numerical and experimental results. The thickness of a-C films deposited at different incidence angles was investigated in the light of Monte Carlo simulations, and the calculated depth profiles were compared with those obtained from high-resolution transmission electron microscopy (TEM). The topography and structure of the a-C films were studied by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), respectively. The film thickness decreased with the increase of the incidence angle, while the surface roughness increased and the content of tetrahedral carbon hybridization (sp 3) decreased significantly with the increase of the incidence angle above 45° , measured from the surface normal. TEM, AFM, and XPS results indicate that the smoothest and thinnest a-C films with the highest content of sp 3 carbon bonding were produced for an incidence angle of 45°. The findings of this study have direct implications in ultrahigh-density magnetic recording, where ultrathin and smooth a-C films with high sp 3 contents are of critical importance. © 2012 IEEE.

  8. 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.

  9. Amorphous and Crystalline Particulates: Challenges and Perspectives in Drug Delivery.

    Science.gov (United States)

    Al-Obaidi, Hisham; Majumder, Mridul; Bari, Fiza

    2017-01-01

    Crystalline and amorphous dispersions have been the focus of academic and industrial research due to their potential role in formulating poorly water-soluble drugs. This review looks at the progress made starting with crystalline carriers in the form of eutectics moving towards more complex crystalline mixtures. It also covers using glassy polymers to maintain the drug as amorphous exhibiting higher energy and entropy. However, the amorphous form tends to recrystallize on storage, which limits the benefits of this approach. Specific interactions between the drug and the polymer may retard this spontaneous conversion of the amorphous drug. Some studies have shown that it is possible to maintain the drug in the amorphous form for extended periods of time. For the drug and the polymer to form a stable mixture they have to be miscible on a molecular basis. Another form of solid dispersions is pharmaceutical co-crystals, for which research has focused on understanding the chemistry, crystal engineering and physico-chemical properties. USFDA has issued a guidance in April 2013 suggesting that the co-crystals as a pharmaceutical product may be a reality; but just not yet! While some of the research is still oriented towards application of these carriers, understanding the mechanism by which drug-carrier miscibility occurs is also covered. Within this context is the use of thermodynamic models such as Flory-Huggins model with some examples of studies used to predict miscibility. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  10. Cooling rate effects on structure of amorphous graphene

    International Nuclear Information System (INIS)

    Van Hoang, Vo

    2015-01-01

    Simple monatomic amorphous 2D models with Honeycomb structure are obtained from 2D simple monatomic liquids with Honeycomb interaction potential (Rechtsman et al., Phys. Rev. Lett. 95, 228301 (2005)) via molecular dynamics (MD) simulations. Models are observed by cooling from the melt at various cooling rates. Temperature dependence of thermodynamic and structural properties including total energy, mean ring size, mean coordination number is studied in order to show evolution of structure and thermodynamics upon cooling from the melt. Structural properties of the amorphous Honeycomb structures are studied via radial distribution function (RDF), coordination number and ring distributions together with 2D visualization of the atomic configurations. Amorphous Honeycomb structures contain a large amount of structural defects including new ones which have not been previously reported yet. Cooling rate dependence of structural properties of the obtained amorphous Honeycomb structures is analyzed. Although amorphous graphene has been proposed theoretically and/or recently obtained by the experiments, our understanding of structural properties of the system is still poor. Therefore, our simulations highlight the situation and give deeper understanding of structure and thermodynamics of the glassy state of this novel 2D material

  11. 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

  12. 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.

  13. Mechanical response of melt-spun amorphous filaments

    International Nuclear Information System (INIS)

    Leal, A A; Reifler, F A; Hufenus, R; Mohanty, G; Michler, J

    2014-01-01

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

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

    Science.gov (United States)

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

    2016-01-01

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

  15. Bringing nanomagnetism to the mesoscale with artificial amorphous structures

    Science.gov (United States)

    Muscas, G.; Brucas, R.; Jönsson, P. E.

    2018-05-01

    In the quest for materials with emergent or improved properties, an effective route is to create artificial superstructures. Novel properties emerge from the coupling between the phases, but the strength of this coupling depends on the quality of the interfaces. Atomic control of crystalline interfaces is notoriously complicated and to elude that obstacle, we suggest here an all-amorphous design. Starting from a model amorphous iron alloy, we locally tune the magnetic behavior by creating boron-doped regions by means of ion implantation through a lithographic mask. This process preserves the amorphous environment, creating a non-topographic magnetic superstructure with smooth interfaces and no structural discontinuities. The absence of inhomogeneities acting as pinning centers for the magnetization reversal is demonstrated by the formation of magnetic vortexes for ferromagnetic disks as large as 20 µm in diameter embedded within a paramagnetic matrix. Rigid exchange coupling between two amorphous ferromagnetic phases in a microstructured sample is evidenced by an investigation involving first-order reversal curves. The sample consists of a soft matrix with embedded elements constituting a hard phase where the anisotropy originates from an elongated shape of the elements. We provide an intuitive explanation for the micrometer-range exchange coupling mechanism and discuss how to tailor the properties of all-amorphous superstructures.

  16. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-12-31

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

  18. Chemical vapor deposition of amorphous ruthenium-phosphorus alloy films

    International Nuclear Information System (INIS)

    Shin Jinhong; Waheed, Abdul; Winkenwerder, Wyatt A.; Kim, Hyun-Woo; Agapiou, Kyriacos; Jones, Richard A.; Hwang, Gyeong S.; Ekerdt, John G.

    2007-01-01

    Chemical vapor deposition growth of amorphous ruthenium-phosphorus films on SiO 2 containing ∼ 15% phosphorus is reported. cis-Ruthenium(II)dihydridotetrakis-(trimethylphosphine), cis-RuH 2 (PMe 3 ) 4 (Me = CH 3 ) was used at growth temperatures ranging from 525 to 575 K. Both Ru and P are zero-valent. The films are metastable, becoming increasingly more polycrystalline upon annealing to 775 and 975 K. Surface studies illustrate that demethylation is quite efficient near 560 K. Precursor adsorption at 135 K or 210 K and heating reveal the precursor undergoes a complex decomposition process in which the hydride and trimethylphosphine ligands are lost at temperatures as low at 280 K. Phosphorus and its manner of incorporation appear responsible for the amorphous-like character. Molecular dynamics simulations are presented to suggest the local structure in the films and the causes for phosphorus stabilizing the amorphous phase

  19. 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

  20. 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

  1. 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.

  2. Hydrolysis of the amorphous cellulose in cotton-based paper.

    Science.gov (United States)

    Stephens, Catherine H; Whitmore, Paul M; Morris, Hannah R; Bier, Mark E

    2008-04-01

    Hydrolysis of cellulose in Whatman no. 42 cotton-based paper was studied using gel permeation chromatography (GPC), electrospray ionization-mass spectrometry (ESI-MS), and uniaxial tensile testing to understand the course and kinetics of the reaction. GPC results suggested that scission reactions passed through three stages. Additionally, the evolution of soluble oligomers in the ESI-MS data and the steady course of strength loss showed that the hydrolysis reaction occurred at a constant rate. These findings are explained with a more detailed description of the cellulose hydrolysis, which includes multiple chain scissions on amorphous segments. The breaks occur with increasing frequency near the ends of amorphous segments, where chains protrude from crystalline domains. Oligomers unattached to crystalline domains are eventually created. Late-stage reactions near the ends of amorphous segments produce a kinetic behavior that falsely suggests that hydrolysis had ceased. Monte Carlo simulations of cellulose degradation corroborated the experimental findings.

  3. Amorphous Cu-Ag films with high stability

    International Nuclear Information System (INIS)

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

    1982-06-01

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

  4. Short, intermediate and long range order in amorphous ices

    Science.gov (United States)

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

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

  5. Large-Scale Structure and Hyperuniformity of Amorphous Ices

    Science.gov (United States)

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

    2017-09-01

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

  6. Amorphous areas in the cytoplasm of Dendrobium tepal cells

    Science.gov (United States)

    van Doorn, Wouter G.; Kirasak, Kanjana; Ketsa, Saichol

    2013-01-01

    In Dendrobium flowers some tepal mesophyll cells showed cytoplasmic areas devoid of large organelles. Such amorphous areas comprised up to about 40% of the cross-section of a cell. The areas were not bound by a membrane. The origin of these areas is not known. We show data suggesting that they can be formed from vesicle-like organelles. The data imply that these organelles and other material become degraded inside the cytoplasm. This can be regarded as a form of autophagy. The amorphous areas became surrounded by small vacuoles, vesicles or double membranes. These seemed to merge and thereby sequester the areas. Degradation of the amorphous areas therefore seemed to involve macroautophagy. PMID:23823702

  7. The amorphous phase transition in irradiated NiTi alloy

    International Nuclear Information System (INIS)

    Brimhall, J.L.; Kissinger, H.E.; Pelton, A.R.

    1985-01-01

    Observed supralinear dose dependence for the amorphous transformation during irradiation of NiTi is compatible with a cascade overlap model for heavy ion (2.5 MeV Ni + , 6 MeV Ta +++ ) irradiations. A model based on total defect build-up, however, is necessary to explain the amorphous transition induced by electron irradiation and can also be applied to heavy ion irradiation. The cascade effects in this latter model are manifested by non-uniform defect distribution in the lattice. The defect build-up model requires a high activation energy for interstitial migration which is not incompatible with recent findings. The form of the temperature dependence can also be rationalized using a defect build-up model (amorphous phase transition, heavy-ion irradiation, electron irradiation, NiTi, defect build-up, cascade overlap). (author)

  8. Defect kinetics and resistance to amorphization in zirconium carbide

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  9. Structural models for amorphous transition metal binary alloys

    International Nuclear Information System (INIS)

    Ching, W.Y.; Lin, C.C.

    1976-01-01

    A dense random packing of 445 hard spheres with two different diameters in a concentration ratio of 3 : 1 was hand-built to simulate the structure of amorphous transition metal-metalloid alloys. By introducing appropriate pair potentials of the Lennard-Jones type, the structure is dynamically relaxed by minimizing the total energy. The radial distribution functions (RDF) for amorphous Fe 0 . 75 P 0 . 25 , Ni 0 . 75 P 0 . 25 , Co 0 . 75 P 0 . 25 are obtained and compared with the experimental data. The calculated RDF's are resolved into their partial components. The results indicate that such dynamically constructed models are capable of accounting for some subtle features in the RDF of amorphous transition metal-metalloid alloys

  10. 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.

  11. Temperature distribution study in flash-annealed amorphous ribbons

    International Nuclear Information System (INIS)

    Moron, C.; Garcia, A.; Carracedo, M.T.

    2003-01-01

    Negative magnetrostrictive amorphous ribbons have been locally current annealed with currents from 1 to 8 A and annealing times from 14 ms to 200 s. In order to obtain information about the sample temperature during flash or current annealing, a study of the temperature dispersion during annealing in amorphous ribbons was made. The local temperature variation was obtained by measuring the local intensity of the infrared emission of the sample with a CCD liquid nitrogen cooled camera. A distribution of local temperature has been found in spite of the small dimension of the sample

  12. 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

  13. Recent Progress in Some Amorphous Materials for Supercapacitors.

    Science.gov (United States)

    Li, Qing; Xu, Yuxia; Zheng, Shasha; Guo, Xiaotian; Xue, Huaiguo; Pang, Huan

    2018-05-14

    A breakthrough in technologies having "green" and sustainable energy storage conversion is urgent, and supercapacitors play a crucial role in this area of research. Owing to their unique porous structure, amorphous materials are considered one of the best active materials for high-performance supercapacitors due to their high specific capacity, excellent cycling stability, and fast charging rate. This Review summarizes the synthesis of amorphous materials (transition metal oxides, carbon-based materials, transition metal sulfides, phosphates, hydroxides, and their complexes) to highlight their electrochemical performance in supercapacitors. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Engineering of giant magnetoimpedance effect of amorphous and nanocrystalline microwires

    Directory of Open Access Journals (Sweden)

    V. Zhukova

    2016-12-01

    Full Text Available We present our studies of the factors affecting soft magnetic properties and giant magnetoimpedance effect in thin amorphous and nanocrystalline microwires. We showed that the magnetoelastic anisotropy is one of the most important parameters that determine magnetic softness and GMI effect of glass-coated microwires  and annealing can be very effective for manipulation the magnetic properties of amorphous ferromagnetic glass-coated microwires. Considerable magnetic softening and increasing of the GMI effect is observed in Fe-rich nanocrystalline FINEMET-type glass-coated microwires after the nanocrystallization.

  15. Amorphous Terfenol-D films using nanosecond pulsed laser deposition

    International Nuclear Information System (INIS)

    Ma, James; O'Brien, Daniel T.; Kovar, Desiderio

    2009-01-01

    Thin films of Terfenol-D were produced by nanosecond pulsed laser deposition (PLD) at two fluences. Electron dispersive spectroscopy conducted using scanning electron and transmission electron microscopes showed that the film compositions were similar to that of the PLD target. Contrary to previous assertions that suggested that nanosecond PLD results in crystalline films, X-ray diffraction and transmission electron microscopy analysis showed that the films produced at both fluences were amorphous. Splatters present on the film had similar compositions to the overall film and were also amorphous. Magnetic measurements showed that the films had high saturation magnetization and magnetostriction, similar to high quality films produced using other physical vapor deposition methods.

  16. 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.

  17. 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.

  18. Synthesis and crytallization of amorphous In-Te alloys

    International Nuclear Information System (INIS)

    Vengrenovich, R.D.; Lopatnyuk, I.A.; Mikhal'chenko, V.P.; Kasiyan, I.M.; Geshko, E.I.

    1988-01-01

    Tendency of Te-In alloys with indium content from 5 to 40 % to amorphization is investigated. It is marked that in this interval of concentrations the alloys have the tendency to subcooling even at cooling velocities equalling only 0.2-0.3 K/s. Maximal subcooling ΔT=70 deg takes place for the eutectic composition. Tendency of Te-In alloys to vitrification is explained by the character to interatomic interactions in a liquid, the interactions promote the formation of molecular clusters in it in cooling, that leads to fast increase of viscosity and to increase of T g amorphization temperature

  19. Energy reversible switching from amorphous metal based nanoelectromechanical switch

    KAUST Repository

    Mayet, Abdulilah M.; Smith, Casey; Hussain, Muhammad Mustafa

    2013-01-01

    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.

  20. Electrical and Magnetic Properties of Binary Amorphous Transition Metal Alloys.

    Science.gov (United States)

    Liou, Sy-Hwang

    The electrical, superconductive and magnetic properties of several binary transition metal amorphous and metastable crystalline alloys, Fe(,x)Ti(,100-x) (30 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Zr(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 93), Fe(,x)Hf(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Nb(,100 -x) (22 (LESSTHEQ) x (LESSTHEQ) 85), Ni(,x)Nb(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 80), Cu(,x)Nb(,100-x) (10 (LESSTHEQ) x (LESSTHEQ) 90) were studied over a wide composition range. Films were made using a magnetron sputtering system, and the structure of the films was investigated by energy dispersive x-ray diffraction. The composition region of each amorphous alloys system was determined and found in good agreement with a model proposed by Egami and Waseda. The magnetic properties and hyperfine interactions in the films were investigated using a conventional Mossbauer spectrometer and a ('57)Co in Rh matrix source. In all Fe-early transition metal binary alloys systems, Fe does not retain its moment in the low iron concentration region and the result is that the critical concentration for magnetic order (x(,c)) is much larger than anticipated from percolation considerations. A direct comparison between crystalline alloys and their amorphous counterparts of the same composition illustrate no clear correlation between crystalline and amorphous states. Pronounced discontinuities in the magnetic properties with variation in Fe content of all Fe-early transition metal alloys at phase boundaries separating amorphous and crystalline states have been observed. This is caused by the differences in the atomic arrangement and the electronic structure between crystalline and amorphous solids. The temperature dependence of resistivity, (rho)(T), of several binary amorphous alloys of Fe-TM (where TM = Ti, Zr, Hf, Nb etc.) has been studied from 2K to 300K. The Fe-poor (x x(,c)) samples have distinctive differences in (rho)(T) at low temperature (below 30K). All the magnetic samples

  1. Amorphization of Molecular Liquids of Pharmaceutical Drugs by Acoustic Levitation

    Directory of Open Access Journals (Sweden)

    C. J. Benmore

    2011-08-01

    Full Text Available It is demonstrated that acoustic levitation is able to produce amorphous forms from a variety of organic molecular compounds with different glass forming abilities. This can lead to enhanced solubility for pharmaceutical applications. High-energy x-ray experiments show that several viscous gels form from saturated pharmaceutical drug solutions after 10–20 min of levitation at room temperature, most of which can be frozen in solid form. Laser heating of ultrasonically levitated drugs can also result in the vitrification of molecular liquids, which is not attainable using conventional amorphization methods.

  2. Light-induced metastable structural changes in hydrogenated amorphous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsche, H. [Univ. of Chicago, IL (United States)

    1996-09-01

    Light-induced defects (LID) in hydrogenated amorphous silicon (a-Si:H) and its alloys limit the ultimate efficiency of solar panels made with these materials. This paper reviews a variety of attempts to find the origin of and to eliminate the processes that give rise to LIDs. These attempts include novel deposition processes and the reduction of impurities. Material improvements achieved over the past decade are associated more with the material`s microstructure than with eliminating LIDs. We conclude that metastable LIDs are a natural by-product of structural changes which are generally associated with non-radiative electron-hole recombination in amorphous semiconductors.

  3. Modification of amorphous metal alloys and nanocrystals by radiation

    International Nuclear Information System (INIS)

    Holkova, D.; Sitek, J.

    2017-01-01

    The paper deals with radiation damage and modification of amorphous metal alloys by neutron irradiation and electrons. Initial experiments were focused on electron irradiation, with various amorphous precursors as well as nanocrystalline alloys: Fe_8_1Nb_7B_1_2, (Fe_3Ni_1)_8_1Nb_7B_1_2, (Fe_3Ni_1)_8_1Nb_7B_1_2 and NANOMET Fe_8_1_._6B_9_._6Si_4_._8P_3Cu_1 being selected for the irradiated objects. The experimental part summarizes the previous results obtained by Moessbauer spectroscopy as well as XRD. (authors)

  4. 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.)

  5. Amorphous molecular junctions produced by ion irradiation on carbon nanotubes

    International Nuclear Information System (INIS)

    Wang Zhenxia; Yu Liping; Zhang Wei; Ding Yinfeng; Li Yulan; Han Jiaguang; Zhu Zhiyuan; Xu Hongjie; He Guowei; Chen Yi; Hu Gang

    2004-01-01

    Experiments and molecular dynamics have demonstrated that electron irradiation could create molecular junctions between crossed single-wall carbon nanotubes. Recently molecular dynamics computation predicted that ion irradiation could also join single-walled carbon nanotubes. Employing carbon ion irradiation on multi-walled carbon nanotubes, we find that these nanotubes evolve into amorphous carbon nanowires, more importantly, during the process of which various molecular junctions of amorphous nanowires are formed by welding from crossed carbon nanotubes. It demonstrates that ion-beam irradiation could be an effective way not only for the welding of nanotubes but also for the formation of nanowire junctions

  6. Radiation damage in an amorphous Lennard-Jones solid

    International Nuclear Information System (INIS)

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

    1985-01-01

    A molecular-dynamics simulation of radiation damage in an amorphous Lennard-Jones solid has been undertaken. A three-dimensional structure of 685 atoms with periodic boundary conditions was used. An atom was injected inward from the middle of one surface, and as it lost its energy its velocity and position were recorded. The temperature profile around the injection direction was also calculated. The amorphous structure was examined before and after irradiation by calculating the volume distribution of the Voronoi polyhedra and its time evolution. The production of vacancies and interstitials was observed. The interstitials were found to disappear rapidly, and the vacancies slowly. (author)

  7. 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.

  8. Polyamorphism in Water: Amorphous Ices and their Glassy States

    Science.gov (United States)

    Amann-Winkel, K.; Boehmer, R.; Fujara, F.; Gainaru, C.; Geil, B.; Loerting, T.

    2015-12-01

    Water is ubiquitous and of general importance for our environment. But it is also known as the most anomalous liquid. The fundamental origin of the numerous anomalies of water is still under debate. An understanding of these anomalous properties of water is closely linked to an understanding of the phase diagram of the metastable non-crystalline states of ice. The process of pressure induced amorphization of ice was first observed by Mishima et al. [1]. The authors pressurized hexagonal ice at 77 K up to a pressure of 1.6 GPa to form high density amorphous ice (HDA). So far three distinct structural states of amorphous water are known [2], they are called low- (LDA), high- (HDA) and very high density amorphous ice (VHDA). Since the discovery of multiple distinct amorphous states it is controversy discussed whether this phenomenon of polyamorphism at high pressures is connected to the occurrence of more than one supercooled liquid phase [3]. Alternatively, amorphous ices have been suggested to be of nanocrystalline nature, unrelated to liquids. Indeed inelastic X-ray scattering measurements indicate sharp crystal-like phonons in the amorphous ices [4]. In case of LDA the connection to the low-density liquid (LDL) was inferred from several experiments including the observation of a calorimetric glass-to-liquid transition at 136 K and ambient pressure [5]. Recently also the glass transition in HDA was observed at 116 K at ambient pressure [6] and at 140 K at elevated pressure of 1 GPa [7], using calorimetric measurements as well as dielectric spectroscopy. We discuss here the general importance of amorphous ices and their liquid counterparts and present calorimetric and dielectric measurements on LDA and HDA. The good agreement between dielectric and calorimetric results convey for a clearer picture of water's vitrification phenomenon. [1] O. Mishima, L. D. Calvert, and E. Whalley, Nature 314, 76, 1985 [2] D.T. Bowron, J. L. Finney, A. Hallbrucker, et al., J. Chem

  9. 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

  10. Detailed intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules with C(3v) symmetry: chloroform, bromoform, and methyl-iodide.

    Science.gov (United States)

    Pothoczki, Szilvia; Temleitner, László; Pusztai, László

    2011-01-28

    Analyses of the intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules of the CXY(3)-type are described. The process is composed of the determination of several different distance-dependent orientational correlation functions, including ones that are introduced here. As a result, a complete structure classification could be provided for CXY(3) molecular liquids, namely for liquid chloroform, bromoform, and methyl-iodide. In the present work, the calculations have been conducted on particle configurations resulting from reverse Monte Carlo computer modeling: these particle arrangements have the advantage that they are fully consistent with structure factors from neutron and x-ray diffraction measurements. It has been established that as the separation between neighboring molecules increases, the dominant mutual orientations change from face-to-face to edge-to-edge, via the edge-to-face arrangements. Depending on the actual liquid, these geometrical elements (edges and faces of the distorted tetrahedra) were found to contain different atoms. From the set of liquids studied here, the structure of methyl-iodide was found to be easiest to describe on the basis of pure steric effects (molecular shape, size, and density) and the structure of liquid chloroform seems to be the furthest away from the corresponding "flexible fused hard spheres" like reference system.

  11. How do glycerol and dimethyl sulphoxide affect local tetrahedral structure of water around a nonpolar solute at low temperature? Importance of preferential interaction

    Science.gov (United States)

    Daschakraborty, Snehasis

    2018-04-01

    Glycerol and dimethyl sulphoxide (DMSO) have vital roles in cryoprotection of living cells, tissues, etc. The above action has been directly linked with disruption of hydrogen (H-) bond structure and dynamics of water by these cosolvents at bulk region and around various complex units, such as peptide, amino acid, protein, and lipid membrane. However, the disruption of the local structure of the water solvent around a purely hydrophobic solute is still not studied extensively. The latter is also important in the context of stabilization of protein from cold denaturation. Through all-atom molecular dynamics simulation, we have investigated the comparative effect of glycerol and DMSO on the orientational order of water around a nonpolar solute at -5 °C. A steady reduction of the tetrahedral order of water is observed at bulk (>10 Å distance from the solute) and solute interface (structure of the interfacial water more than that of the bulk water, glycerol affects the water structure almost uniformly at all regions around the solute. Furthermore, while glycerol helps to retain water molecules at the interface, DMSO significantly reduces the water content in that region. We have put forward a plausible mechanism for these contrasting roles of these cosolvents. The solute-cosolvent hydrophobic-interaction-induced orientational alignment of an interfacial cosolvent molecule determines whether the involvement of the cosolvent molecules in H-bonding with solvent water in the interface is akin to the bulk region or not.

  12. BeP2: a tetrahedral structure of type order-disorder which obeys a coordination rule for short-range order

    International Nuclear Information System (INIS)

    L'Haridon, P.; David, J.; Lang, J.; Parthe, E.

    1976-01-01

    Single-crystal studies on BeP 2 indicate that this compound possesses an OD structure. The substructure has a tetragonal unit cell with: a = 3.546 A, c = 15.01 A, Z = 4, space group: I4 1 /amd. The final R factor has a value of 0.033. The atom sites in this substructure correspond to the sites of diamond if the latter is described with a tetragonal cell, where a = (2/sup 1/2//a/sub diamond/ and c = 3a/sub diamond/. A short-range order governs the occupation of these sites with Be and P atoms. Each Be has four tetrahedral P neighbors and every P has two Be and two P neighbors. Consideration of the maxima on the diffuse streaks between the sharp reflectins of the substructure leads to an intermediate unit cell with a = 7.09 A and c = 30.02 A. Coordination considerations allow a structure proposal to be formulated for this intermediate structure which is triclinic but pseudotetragonal. The true unit cell is also pseudotetragonal with a = 7.09 A and c = N . 15.01 A, where N is a large integer

  13. Thermal stability study of crystalline and novel spray-dried amorphous nilotinib hydrochloride

    NARCIS (Netherlands)

    Herbrink, Maikel; Vromans, Herman; Schellens, Jan Hm; Beijnen, Jos H; Nuijen, Bastiaan

    2018-01-01

    The thermal characteristics and the thermal degradation of crystalline and amorphous nilotinib hydrochloride (NH) were studied. The spray drying technique was successfully utilized for the amorphization of NH and was evaluated by spectroscopic techniques and differential scanning calorimetry (DSC).

  14. Moessbauer effect study on mechanically alloyed amorphous Fe1-xTix alloys

    International Nuclear Information System (INIS)

    Chen Hong; Xu Zuxiong; Ma Ruzhang; Zhao Zhongtao; Ping Jueyun

    1994-01-01

    Amorphous Fe 1-x Ti x (x = 0.50, 0.60) powders were produced by mechanical alloying from pure elemental powders in a vibratory ball-mill. X-ray diffraction (XRD) and Moessbauer effect (ME) were used to study the progress of amorphization and the property of hydrogen absorption in Fe-Ti alloys. The amorphization process and the properties of the amorphous phase are discussed. (orig.)

  15. Thermal transitions of the amorphous polymers in wheat straw

    DEFF Research Database (Denmark)

    Stelte, Wolfgang; Clemons, Craig; Holm, Jens K.

    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...

  16. 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

  17. Gamma and Neutron Irradiation of Semitransparent Amorphous Silicon Sensors

    International Nuclear Information System (INIS)

    Carabe, J.; Fernandez, M. G.; Ferrando, A.; Fuentes, J.; Gandia, J.; Josa, M. I.; Molinero, A.; Oller, J. C.; Arce, P.; Calvo, E.; Figueroa, C. F.; Garcia, N.; Matorras, F.; Rodrigo, T.; Vila, I.; Virto, A. L.; Fenyvesi, A.; Molnar, J.; Sohler, D.

    1999-12-01

    Semitransparent amorphous silicon sensors are key elements for laser light 2D position reconstruction in the CMS multipoint alignment link system. Some of the sensors have to work in very hard radiation environment. We have irradiated with gammas, up to 10 Mrad, and neutrons, up to 10 ''14 cm''-2, two different type of sensors and measured their change in performance. (Author) 10 refs

  18. Correlating thermodynamic and kinetic parameters with amorphous stability

    DEFF Research Database (Denmark)

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

    2009-01-01

    Poor physical stability is one of the single most important factors limiting the widespread use of the amorphous state in pharmaceutics. The purpose of this study is to move away from the case study approach by investigating thermodynamic and kinetic parameters as potential predictors of physical...

  19. 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.

  20. 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

  1. A case of multiple cardiac calcified amorphous tumours

    Directory of Open Access Journals (Sweden)

    Amrit Chowdhary

    2017-05-01

    Full Text Available Cardiac calcified amorphous tumours of the heart are rare non-neoplastic cardiac masses that can present like a malignant mass or an intra-cardiac thrombus. We report an extremely unusual case of a 73 year old man who presented to hospital with dyspnoea and subsequent investigations revealed multiple cardiac CATs.

  2. Production and properties of light-metal base amorphous alloys

    International Nuclear Information System (INIS)

    Inoue, Akihisa; Masumoto, Tsuyoshi

    1993-01-01

    Light-metal base alloys with high specific strength and good corrosion resistance were produced through amorphization of Al and Mg-based alloys. The amorphous phase is formed in rapidly solidified Al-TM-Ln and Mg-TM-Ln (TM=transition metal, Ln=lanthanide metal) alloys. The highest tensile strength (σ f ) reaches 1,330 MPa for the Al base and 830 MPa for the Mg base. Furthermore, the Mg-based alloys have a large glass-forming capacity which enables to produce an amorphous phase by a metallic mold casting method. The extrusion of the Al-based amorphous powders at temperatures above crystallization temperature caused the formation of high strength materials with finely mixed structure consisting of dispersed intermetallic compounds in an Al matrix. The highest values of σ f and fatigue limit are as high as 940 and 313 MPa, respectively, at room temperature and 520 and 165 MPa at 473 K. The extruded Al-Ni-Mm alloy has already been used as machine parts and subsequent further development as practical materials is expected by taking these advantages

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. Calorimetric studies of non-isothermal crystallization in amorphous

    Indian Academy of Sciences (India)

    Administrator

    the peak crystallization temperature. Amorphous alloys of Cu–Ti system are of special interest (Koster et al 1995) due to the fact that Cu–Ti is a congruently melting compound, which should allow static under-cooling experiments. Several works ... tion when mixed with another metal or rare earth metals. (Suzuki et al 2003).

  8. 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

  9. 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

  10. Amorphous alloy induction core performance in pulse condition

    International Nuclear Information System (INIS)

    Cheng Hao; Zhang Linwen; Cheng Nian'an

    2002-01-01

    The requirements and the characteristics of magnetic material (amorphous and ferrite) in linac induction accelerators (LIA) are described briefly in this paper. Experimentations are done base on the static conditions, in additional more researches are done in the pulse condition. Come to the conclusion that both materials have higher saturation magnetic swing under pulse conditions in comparison with their static conditions

  11. 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...

  12. 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)

  13. TEM study of amorphous alloys produced by ion implantation

    International Nuclear Information System (INIS)

    Johnson, E.; Grant, W.A.; Wohlenberg, P.; Hansen, P.; Chadderton, L.T.

    1978-01-01

    Ion implantation is a technique for introducing foreign elements into surface layers of solids. Ions, as a suitably accelerated beam, penetrate the surface, slow down by collisions with target atoms to produce a doped layer. This non-equilibrium technique can provide a wide range of alloys without the restrictions imposed by equilibrium phase diagrams. This paper reports on the production of some amorphous transition metal-metalloid alloys by implantation. Thinned foils of Ni, Fe and stainless steel were implanted at room temperature with Dy + and P + ions at doses between 10 13 - 10 17 ions/cm 2 at energies of 20 and 40 keV respectively. Transmission electron microscopy and selected area diffraction analysis were used to investigate the implanted specimens. Radial diffracted intensity measurements confirmed the presence of an amorphous implanted layer. The peak positions of the maxima are in good agreement with data for similar alloys produced by conventional techniques. Only certain ion/target combinations produce these amorphous layers. Implantations at doses lower than those needed for amorphization often result in formation of new crystalline phases such as an h.c.p. phase in nickel and a b.c.c. phase in stainless steel. (Auth.)

  14. 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.

  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. Microstructural model for the plasticity of amorphous solids

    NARCIS (Netherlands)

    Hütter, M.; Breemen, van L.C.A.

    2012-01-01

    Based on the concept of localized shear transformation zones (STZ), a thermodynamically consistent model for the viscoplastic deformation of amorphous solids is developed. The approach consists of a dynamic description of macroscopic viscoplasticity that is enriched by the evolution of number

  17. 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...

  18. Irradiation-induced amorphization in split-dislocation cores

    International Nuclear Information System (INIS)

    Ovid'ko, I.A.; Rejzis, A.B.

    1999-01-01

    The model describing special splitting of lattice and grain-boundary dislocations as one of the micromechanisms of solid-phase amorphization in irradiated crystals is proposed. Calculation of energy characteristics of the process of dislocations special splitting is carried out [ru

  19. 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)

  20. 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.