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Sample records for metal single crystal

  1. Single-crystal metal growth on amorphous insulating substrates.

    Science.gov (United States)

    Zhang, Kai; Pitner, Xue Bai; Yang, Rui; Nix, William D; Plummer, James D; Fan, Jonathan A

    2018-01-23

    Metal structures on insulators are essential components in advanced electronic and nanooptical systems. Their electronic and optical properties are closely tied to their crystal quality, due to the strong dependence of carrier transport and band structure on defects and grain boundaries. Here we report a method for creating patterned single-crystal metal microstructures on amorphous insulating substrates, using liquid phase epitaxy. In this process, the patterned metal microstructures are encapsulated in an insulating crucible, together with a small seed of a differing material. The system is heated to temperatures above the metal melting point, followed by cooling and metal crystallization. During the heating process, the metal and seed form a high-melting-point solid solution, which directs liquid epitaxial metal growth. High yield of single-crystal metal with different sizes is confirmed with electron backscatter diffraction images, after removing the insulating crucible. Unexpectedly, the metal microstructures crystallize with the [Formula: see text] direction normal to the plane of the film. This platform technology will enable the large-scale integration of high-performance plasmonic and electronic nanosystems.

  2. Ordered macro-microporous metal-organic framework single crystals

    Science.gov (United States)

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin

    2018-01-01

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  3. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui

    2018-01-16

    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  4. Thin films of metal oxides on metal single crystals: Structure and growth by scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Galloway, H.C.

    1995-12-01

    Detailed studies of the growth and structure of thin films of metal oxides grown on metal single crystal surfaces using Scanning Tunneling Microscopy (STM) are presented. The oxide overlayer systems studied are iron oxide and titanium oxide on the Pt(III) surface. The complexity of the metal oxides and large lattice mismatches often lead to surface structures with large unit cells. These are particularly suited to a local real space technique such as scanning tunneling microscopy. In particular, the symmetry that is directly observed with the STM elucidates the relationship of the oxide overlayers to the substrate as well as distinguishing, the structures of different oxides

  5. Single crystal particles of a mesoporous mixed transition metal oxide with a wormhole structure.

    Science.gov (United States)

    Lee, B; Lu, D; Kondo, J N; Domen, K

    2001-10-21

    A new type of mesoporous mixed transition metal oxide of Nb and Ta (NbTa-TIT-1) has been prepared through a two-step calcination, which consists of single crystal particles with wormhole mesoporous structure.

  6. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    KAUST Repository

    Afify, N. D.

    2013-10-01

    Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano-crystalline metals, the superiority of small single crystals has neither been fundamentally explained nor quantified to this date. Here we present a molecular dynamics study of aluminum single crystals in the size range from 4.1 nm to 40.5 nm. We show that the ultimate mechanical strength deteriorates exponentially as the single crystal size increases. The small crystals superiority is explained by their ability to continuously form vacancies and to recover them. © 2013 Published by Elsevier B.V.

  7. High-pressure catalytic reactions over single-crystal metal surfaces

    Science.gov (United States)

    Rodriguez, JoséA.; Wayne Goodman, D.

    1991-11-01

    Studies dealing with high-pressure catalytic reactions over single-crystal surfaces are reviewed. The coupling of an apparatus for the measurement of reaction kinetics at elevated pressures with an ultrahigh vacuum system for surface analysis allows detailed study of structure sensitivity, the effects of promoters and inhibitors on catalytic activity, and, in certain cases, identification of reaction intermediates by post-reaction surface analysis. Examples are provided which demonstrate the relevance of single-crystal studies for modeling the behaviour of high-surface-area supported catalysts. Studies of CO methanation and CO oxidation over single-crystal surfaces provide convincing evidence that these reactions are structure insensitive. For structure-sensitive reactions (ammonia synthesis, alkane hydrogenolysis, alkane isomerization, water-gas shift reaction, etc.) model single-crystal studies allow correlations to be established between surface structure and catalytic activity. The effects of both electronegative (S and P) and electropositive (alkali metals) impurities upon the catalytic activity of metal single crystals for ammonia synthesis, CO methanation, alkane hydrogenolysis, ethylene epoxidation and water-gas shift are discussed. The roles of "ensemble" and "ligand" effects in bimetallic catalysts are examined in light of data obtained using surfaces prepared by vapor-depositing one metal onto a crystal face of a dissimilar metal.

  8. Friction and Wear of Metals With a Single-Crystal Abrasive Grit of Silicon Carbide - Effect of Shear Strength of Metal

    National Research Council Canada - National Science Library

    Miyoshi, Kazuhisa

    1978-01-01

    An investigation was conducted to examine the removal and plastic deformation of metal as a function of the metal properties when the metal is in sliding contact with a single-crystal abrasive grit of silicon carbide...

  9. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase

    Energy Technology Data Exchange (ETDEWEB)

    Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W., E-mail: kjoseph@clemson.edu

    2016-04-15

    A series of transition metal vanadate crystals were prepared using a high temperature (580 °C) hydrothermal method. The compounds all had the general formula A{sub 2}AEM(VO{sub 4}){sub 2} (A=K, Na, Li; AE=Ba, Sr; M=Co, Fe, Mn). They are all variations of the glaserite structural type and range in symmetry from P-3m1 to P-3 to P2{sub 1}/c. Most of the derivatives contain a planar three-fold rotation operation, making them possible spin frustration candidates. Single crystal structural analyses were performed on many of the derivatives to obtain a detailed understanding of the distortions of the tetrahedral building blocks that accommodate the symmetry distortions. A hydrothermal growth method was developed to grow high quality single crystals of sizes up to 2–3 mm/edge. This method can be generalized for large crystal growth to enable magnetic and neutron diffraction studies that require relatively large single crystals. - Highlights: • The hydrothermal synthesis of glaserite-type vanadates is demonstrated. • Synthesis from stoichiometric component reactions yields 0.2–0.5 mm size crystals. • Hydrothermal recrystallization of glaserite powder yields 2–3 mm size crystals. • The structure varies according to the alkali and alkaline earth metals selected. • Ideal (P-3m1) and distorted (P-3 and P2{sub 1}/c) glaserite structures are observed.

  10. Friction and metal transfer for single-crystal silicon carbide in contact with various metals in vacuum

    International Nuclear Information System (INIS)

    Miyoshi, K.; Buckley, D.H.

    1978-04-01

    Sliding friction experiments were conducted with single-crystal silicon carbide in contact with transition metals (tungsten, iron, rhodium, nickel, titanium, and cobalt), copper, and aluminum. Results indicate the coefficient of friction for a silicon carbide-metal system is related to the d bond character and relative chemical activity of the metal. The more active the metal, the higher the coefficient of friction. All the metals examined transferred to the surface of silicon carbide in sliding. The chemical activity of metal to silicon and carbon and shear modulus of the metal may play important roles in metal transfer and the form of the wear debris. The less active metal is, and the greater resistance to shear it has, with the exception of rhodium and tungsten, the less transfer to silicon carbide

  11. CO oxidation studies over supported noble metal catalysts and single crystals: A review

    Science.gov (United States)

    Boecker, Dirk; Gonzalez, Richard D.

    1987-01-01

    The catalytic oxidation of CO over noble metal catalysts is reviewed. Results obtained on supported noble metal catalysts and single crystals both at high pressures and under UHV conditions are compared. The underlying causes which result in surface instabilities and multiple steady-state oscillations are considered, in particular, the occurrence of hot spots. CO islands of reactivity, surface oxide formation and phase transformations under oscillatory conditions are discussed.

  12. Metal Halide Perovskite Polycrystalline Films Exhibiting Properties of Single Crystals

    NARCIS (Netherlands)

    Brenes, Roberto; Guo, D.; Osherov, Anna; Noel, Nakita K.; Eames, Christopher; Hutter, E.M.; Pathak, Sandeep K.; Niroui, Farnaz; Friend, Richard H.; Islam, M. Saiful; Snaith, Henry J.; Bulović, Vladimir; Savenije, T.J.; Stranks, Samuel D.

    2017-01-01

    Metal halide perovskites are generating enormous excitement for use in solar cells and light-emission applications, but devices still show substantial non-radiative losses. Here, we show that by combining light and atmospheric treatments, we can increase the internal luminescence quantum

  13. Growth of tourmaline single crystals containing transition metal elements in hydrothermal solutions

    Science.gov (United States)

    Setkova, Tatiana; Shapovalov, Yury; Balitsky, Vladimir

    2011-03-01

    Interest in the growth of tourmaline single crystals is based on the promising piezoelectric and pyroelectric properties of this material compared to quartz crystals currently in use. Moreover, synthetic tourmaline can be used as a substitute for the natural stone in the jewelry industry similar to other synthetic analogues of gemstones. Single crystals of colored Co-, Ni-, Fe-, (Ni,Cr)-, (Ni,Fe)-, and (Co,Ni,Cr)-containing tourmalines with concentration of transition metal elements up to 16 wt% on a seed have been grown from complex boron-containing hydrothermal solutions at a range of temperatures 400-750 °C and pressures 100 MPa. Experiments were conducted under conditions of a thermal gradient in titanium and chromium-nickel autoclaves. Tourmaline growth on a seed crystal occurs only if separate tourmaline-forming components (monocrystalline corundum and quartz bars) are used as charge. All tourmalines specified above grow in analogous (+) direction of the optical axis with a speed of 0.05 mm/day by faces of the trigonal pyramid, except tourmalines containing chromium. They grow in analogous (+0001) direction with a speed 0.05 mm/day, and in antilogous (-0001) direction with a speed of 0.01 mm/day by faces of the trigonal pyramid and in prism direction with a speed of 0.001 mm/day. Along with the large single crystals, a great amount of finest (30-150 μm in size) tourmaline crystals was formed during the runs by spontaneous nucleation both on the surface of the seed crystals and in the charge.

  14. Multi-scale simulation of single crystal hollow turbine blade manufactured by liquid metal cooling process

    Directory of Open Access Journals (Sweden)

    Xuewei Yan

    2018-02-01

    Full Text Available Liquid metal cooling (LMC process as a powerful directional solidification (DS technique is prospectively used to manufacture single crystal (SC turbine blades. An understanding of the temperature distribution and microstructure evolution in LMC process is required in order to improve the properties of the blades. For this reason, a multi-scale model coupling with the temperature field, grain growth and solute diffusion was established. The temperature distribution and mushy zone evolution of the hollow blade was simulated and discussed. According to the simulation results, the mushy zone might be convex and ahead of the ceramic beads at a lower withdrawal rate, while it will be concave and laggard at a higher withdrawal rate, and a uniform and horizontal mushy zone will be formed at a medium withdrawal rate. Grain growth of the blade at different withdrawal rates was also investigated. Single crystal structures were all selected out at three different withdrawal rates. Moreover, mis-orientation of the grains at 8 mm/min reached ~30°, while it was ~5° and ~15° at 10 mm/min and 12 mm/min, respectively. The model for predicting dendritic morphology was verified by corresponding experiment. Large scale for 2D dendritic distribution in the whole sections was investigated by experiment and simulation, and they presented a well agreement with each other. Keywords: Hollow blade, Single crystal, Multi-scale simulation, Liquid metal cooling

  15. Molecular dynamic simulation for nanometric cutting of single-crystal face-centered cubic metals.

    Science.gov (United States)

    Huang, Yanhua; Zong, Wenjun

    2014-01-01

    In this work, molecular dynamics simulations are performed to investigate the influence of material properties on the nanometric cutting of single crystal copper and aluminum with a diamond cutting tool. The atomic interactions in the two metallic materials are modeled by two sets of embedded atom method (EAM) potential parameters. Simulation results show that although the plastic deformation of the two materials is achieved by dislocation activities, the deformation behavior and related physical phenomena, such as the machining forces, machined surface quality, and chip morphology, are significantly different for different materials. Furthermore, the influence of material properties on the nanometric cutting has a strong dependence on the operating temperature.

  16. Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-12-01

    Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

  17. Friction and wear of metals with a single-crystal abrasive grit of silicon carbide: Effect of shear strength of metal

    Science.gov (United States)

    Miyoshi, K.; Buckley, D. H.

    1978-01-01

    Sliding friction experiments were conducted with spherical, single-crystal silicon carbide riders in contact with various metals and with metal riders in contact with silicon carbide flats. Results indicate that: (1) the friction force in the plowing of metal and (2) the groove height (corresponding to the volume of the groove) are related to the shear strength of the metal. That is, they decrease linearly as the shear strength of the bulk metal increases. Grooves are formed in metals primarily from plastic deformation, with occasional metal removal. The relation between the groove width D and the load W can be expressed by W = kD, superscript n which satisfies Meyer's law.

  18. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  19. Investigation on the influence of foreign metal ions in crystal growth and characterization of L-Alaninium Maleate (LAM) single crystals.

    Science.gov (United States)

    Ruby Nirmala, L; Thomas Joseph Prakash, J

    2013-11-01

    A Nonlinear Optical, good quality, single crystals of doped and undoped l-Alaninium Maleate (LAM) were grown by slow evaporation solution growth technique at room temperature. The lattice parameters were analyzed by single crystal X-ray diffraction technique. The identification of Cadmium ion in the doped crystals was done using the EDAX spectrum. The presence of functional group of the dopant with LAM molecule was studied using FTIR spectra. The results of UV-Vis study is used to compare the transparencies of the doped and undoped LAM crystals. The optical band gap energy of the grown crystal was also calculated. The relative second harmonic generation (SHG) efficiency measurement with KDP reference is used to find the incorporation of metal to l-Alaninium Maleate crystals and the parent material. Also the thermal stability of the grown crystals was studied by TGA/DTA spectrum. The mechanical stability of the grown crystals was confirmed through Vickers micro hardness study. By parallel plate capacitor technique, the dielectric response was studied over a wide range of frequencies at different temperatures. The various studies showed the incorporation of the impurity Cd(2+) into LAM crystals and the investigations indicated that the impurity played an important role in the changes of the spectral and structural properties of LAM crystals. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Single-Crystal to Single-Crystal Transformation of a Nonporous Fe(II) Metal-Organic Framework into a Porous Metal-Organic Framework via a Solid-State Reaction.

    Science.gov (United States)

    Spirkl, Sebastian; Grzywa, Maciej; Reschke, Stephan; Fischer, Jonas K H; Sippel, Pit; Demeshko, Serhiy; Krug von Nidda, Hans-Albrecht; Volkmer, Dirk

    2017-10-16

    We report the synthesis of an air-stable nonporous coordination compound based on iron(II) centers, formate anions, and a 4,4'-bipyrazole (H 2 BPZ) ligand. Upon thermal treatment, a porous metal-organic framework (MOF) formed due to decomposition of the incorporated formate anions. This decomposition step and the following structural changes constituted a single-crystal to single-crystal transformation. The resulting [Fe(BPZ)] framework contained tetrahedrally coordinated iron(II) metal centers. The framework was sensitive toward oxidation by molecular oxygen even at temperatures of 183 K, as followed by oxygen sorption measurements and a color change from colorless to metallic black. The semiconductor properties of the oxidized material were studied by diffuse reflectance UV/vis/NIR spectroscopy and dielectric spectroscopy.

  1. Kapitza conductance of metal single crystals by the second sound technique

    International Nuclear Information System (INIS)

    Wagner, F.; Kollarits, F.J.; Wilkes, K.E.; Yaqub, M.

    1975-01-01

    The Kapitza conductance h/sub K/ of high-purity single crystals of gallium, copper, lead, and tin, between 1.2 and 2 0 K, has been determined by an improved version of the second, sound method developed by Challis and Sherlock. By using a special mounting technique, strains in the samples were avoided on cooling. A comparison of the results with those given in the literature shows that our values of h/sub K/ are consistently higher than those obtained by using the steady-state method. By introducing different amounts of strain in a given sample its h/sub K/ was reduced by corresponding amounts. Thus, for a given metal, the entire range of reported steady-state values was covered. In the region of 1--2 0 K, strain not only reduces h/sub K/, but also increases the temperature dependence considerably. Although a reduction of h/sub K / with strain has been reported with the steady-state measurements, it is not accompanied by an increase in the temperature dependence. Possible reasons for this are discussed. Study of the superconductors lead and tin shows that the temperature exponent is nearly the same in the superconducting and normal states. The absolute value of h/sub K/ decreases in lead typically by 6 percent and increases in tin by 5 percent. (auth)

  2. Flicker noise in degenerately doped Si single crystals near the metal ...

    Indian Academy of Sciences (India)

    In this paper we report some of the important results of experimental investigations of the flicker noise near the metal–insulator (MI) transition in doped silicon single crystals. This is the first comprehensive work to study low-frequency noise in heavily doped Si over an extensive temperature range (2 K < T < 500 K).

  3. Experimental determination of phonon thermal conductivity and Lorenz ratio of single crystal metals: Al, Cu and Zn

    OpenAIRE

    Yao, Mengliang; Zebarjadi, Mona; Opeil, Cyril P.

    2017-01-01

    We use a magnetothermal resistance method to measure lattice thermal conductivity of pure single crystal metals over a wide range of temperatures. Large transverse magnetic fields are applied to suppress electronic thermal conduction. The total thermal conductivity and the electrical conductivity are measured as functions of applied magnetic field. The lattice thermal conductivity is then extracted by extrapolating the thermal conductivity versus electrical conductivity curve at zero electric...

  4. Experimental determination of phonon thermal conductivity and Lorenz ratio of single crystal metals: Al, Cu, and Zn

    Science.gov (United States)

    Yao, Mengliang; Zebarjadi, Mona; Opeil, Cyril P.

    2017-10-01

    We use a magnetothermal resistance method to measure lattice thermal conductivity of pure single crystal metals over the intermediate temperature range of 5-60 K. Large transverse magnetic fields are applied to suppress electronic thermal conduction. The total thermal conductivity and the electrical conductivity are measured as functions of applied magnetic field. The lattice thermal conductivity is then extracted by extrapolating the thermal conductivity versus electrical conductivity curve at zero electrical conductivity. We used this method to experimentally measure the lattice thermal conductivity and Lorenz number in single crystal Al (100), Cu (100), and Zn (001) in the intermediate temperature range. Our results show that the measured phonon thermal conductivity versus temperature plot has a peak around ΘD /10 , and the Lorenz number is found to deviate from the Sommerfeld value in the intermediate temperature range.

  5. Nanoscale heterostructures with molecular-scale single-crystal metal wires.

    Science.gov (United States)

    Kundu, Paromita; Halder, Aditi; Viswanath, B; Kundu, Dipan; Ramanath, Ganpati; Ravishankar, N

    2010-01-13

    Creating nanoscale heterostructures with molecular-scale (synthesis of nanoscale heterostructures with single-crystal molecular-scale Au nanowires attached to different nanostructure substrates. Our method involves the formation of Au nanoparticle seeds by the reduction of rocksalt AuCl nanocubes heterogeneously nucleated on the substrates and subsequent nanowire growth by oriented attachment of Au nanoparticles from the solution phase. Nanoscale heterostructures fabricated by such site-specific nucleation and growth are attractive for many applications including nanoelectronic device wiring, catalysis, and sensing.

  6. Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams.

    Science.gov (United States)

    Cao, J; Ertekin, E; Srinivasan, V; Fan, W; Huang, S; Zheng, H; Yim, J W L; Khanal, D R; Ogletree, D F; Grossman, J C; Wu, J

    2009-11-01

    Correlated electron materials can undergo a variety of phase transitions, including superconductivity, the metal-insulator transition and colossal magnetoresistance. Moreover, multiple physical phases or domains with dimensions of nanometres to micrometres can coexist in these materials at temperatures where a pure phase is expected. Making use of the properties of correlated electron materials in device applications will require the ability to control domain structures and phase transitions in these materials. Lattice strain has been shown to cause the coexistence of metallic and insulating phases in the Mott insulator VO(2). Here, we show that we can nucleate and manipulate ordered arrays of metallic and insulating domains along single-crystal beams of VO(2) by continuously tuning the strain over a wide range of values. The Mott transition between a low-temperature insulating phase and a high-temperature metallic phase usually occurs at 341 K in VO(2), but the active control of strain allows us to reduce this transition temperature to room temperature. In addition to device applications, the ability to control the phase structure of VO(2) with strain could lead to a deeper understanding of the correlated electron materials in general.

  7. Hardness of metallic crystals

    Indian Academy of Sciences (India)

    This paper presents a new formula for calculating the hardness of metallic crystals, resulted from the research on the critical grain size with stable dislocations. The formula is = 6 /[(1 – )], where is the hardness, the coefficient, the shear modulus, the Poisson's ratio, a function of the radius of an atom () ...

  8. Single-Crystal Thin Films of Cesium Lead Bromide Perovskite Epitaxially Grown on Metal Oxide Perovskite (SrTiO3).

    Science.gov (United States)

    Chen, Jie; Morrow, Darien J; Fu, Yongping; Zheng, Weihao; Zhao, Yuzhou; Dang, Lianna; Stolt, Matthew J; Kohler, Daniel D; Wang, Xiaoxia; Czech, Kyle J; Hautzinger, Matthew P; Shen, Shaohua; Guo, Liejin; Pan, Anlian; Wright, John C; Jin, Song

    2017-09-27

    High-quality metal halide perovskite single crystals have low defect densities and excellent photophysical properties, yet thin films are the most sought after material geometry for optoelectronic devices. Perovskite single-crystal thin films (SCTFs) would be highly desirable for high-performance devices, but their growth remains challenging, particularly for inorganic metal halide perovskites. Herein, we report the facile vapor-phase epitaxial growth of cesium lead bromide perovskite (CsPbBr 3 ) continuous SCTFs with controllable micrometer thickness, as well as nanoplate arrays, on traditional oxide perovskite SrTiO 3 (100) substrates. Heteroepitaxial single-crystal growth is enabled by the serendipitous incommensurate lattice match between these two perovskites, and overcoming the limitation of island-forming Volmer-Weber crystal growth is critical for growing large-area continuous thin films. Time-resolved photoluminescence, transient reflection spectroscopy, and electrical transport measurements show that the CsPbBr 3 epitaxial thin film has a slow charge carrier recombination rate, low surface recombination velocity (10 4 cm s -1 ), and low defect density of 10 12 cm -3 , which are comparable to those of CsPbBr 3 single crystals. This work suggests a general approach using oxide perovskites as substrates for heteroepitaxial growth of halide perovskites. The high-quality halide perovskite SCTFs epitaxially integrated with multifunctional oxide perovskites could open up opportunities for a variety of high-performance optoelectronics devices.

  9. New orientation formation and growth during primary recrystallization in stable single crystals of three face-centred cubic metals

    International Nuclear Information System (INIS)

    Miszczyk, M.; Paul, H.; Driver, J.H.; Maurice, C.

    2015-01-01

    Graphical abstract: For Ni, Cu and Cu-2%Al and (1 1 0)[0 0 −1] and (1 1 0)[1 −1 −2] initial orientations at the initial stages of recrystallization, the appearance of a specific number of new orientation groups of new grains has been demonstrated. The orientation relations across the recrystallization front are characterized by a high proportion of angles in the range 25–35° and 45–55° around axes mostly grouped about the 〈1 2 2〉, 〈1 1 1〉, 〈1 2 3〉 and 〈1 1 2〉 directions. A local minimum was noted for the disorientation angle densities close to 40° in all cases. For a single isolated nucleus of uniform orientation, the rotation axes are usually grouped around one of the normals of all four {1 1 1} planes but do not (or only rarely) coincide with them. The orientation of the growing new grain quickly transforms through the formation of a first generation twins. The most frequent situation occurs when the normal of the twinning face plane is situated near the rotation axis, around which the crystal lattice of the ‘primary nuclei’ rotates. Based on the anisotropy of grain growth a possible mechanism of orientation generation and grain growth by thermally activation movement of dislocation families, on {1 1 1} planes is proposed. - Abstract: The early stages of recrystallization have been systematically characterized in single crystal metals of medium and low stacking fault energy. Goss {1 1 0}〈0 0 1〉 and brass {1 1 0}〈1 1 2〉 oriented samples of Ni, Cu and Cu–2 wt.% Al alloy were deformed in a channel die to a logarithmic strain of 0.51 to develop a homogeneous structure composed of two sets of symmetrical primary microbands and then lightly annealed. Scanning electron microscopy/electron backscattered diffraction analyses demonstrate a strong relation between as-deformed orientations and the limited number of recrystallized grain orientations. The disorientation angles across the recrystallization front are mostly grouped in

  10. Mechanical behavior of ultra-fine grained and nanocrystalline metals and single crystals: Experiments, modeling and simulations

    Science.gov (United States)

    Liu, Jian

    Ultra-fine grained (ufg, 100 nm viscoplastic phenomenological Khan--Liang--Farrokh (KLF) model is used to correlate the experimental results of the ufg/nc Ti. Crystal Plasticity Finite Element Method (CPFEM) with three different single crystal plasticity constitutive models is used for the purpose of incorporating strain rate and temperature effects into CPFEM. The classical and two newly developed single crystal plasticity models are used to simulate the deformation responses of single crystal aluminum. A constitutive model based on intragranular dislocation slip is shown to correlate closely to the stain rate effect and latent hardening behavior of single crystal Al. For ufg/nc face-centered cubic (FCC) material, we assume that dislocation slip is still the most important deformation mechanism while there is no interaction between dislocations within grains. We develop a constitutive model based on dislocation glide within ufg/nc grains and include all stages of dislocation activities especially their interactions with GB. An Arrhenius type rate is established based on the thermal activated depinning of dislocations from GB obstacles. The thermal strength is obtained as a function of the activation energy of the GB obstacles and the activation length. The athermal part includes the strength due to the grain size dependence and the strength due to the dislocation density. The model parameters for two ufg/nc materials are determined by comparing experimental results to the one dimensional (1D) flow stress model using a Taylor's factor. The new constitutive model is incorporated into three dimensional crystal plasticity and the crystal plasticity model is implemented into a UMAT subroutine of ABAQUS finite element program. The uniaxial deformation responses of two ufg/nc materials are simulated using the previously determined model parameters. CPFEM simulations give flow stress predictions that are very close to 1D model correlations/predictions. It is a clear

  11. Studies of the kinetics and mechanisms of ammonia synthesis and hydrodesulfurization on metal single-crystal surfaces

    International Nuclear Information System (INIS)

    Gellman, A.J.; Asscher, M.; Somorjai, G.A.

    1985-01-01

    The authors studied the ammonia synthesis reaction over Fe and Re single crystal surfaces and the hydrodesulfurization of thiophene over the Mo(100) single crystal surface. The studies have been performed using UHV surface science tools with the capability of exposing the surfaces to high pressure, high temperature reaction conditions. The ammonia synthesis reaction was shown to be extremely sensitive to surface structure on both Fe and Re, favoring surfaces with a rough or open topography. The HDS reaction on the Mo(100) surface has been shown to be similar to that on MoS/sub 2/ and appears to proceed via a reaction path that does not produce a strong Mo-S bond as an intermediate species

  12. Growth and radioluminescence of metal elements doped LiCaAlF.sub.6./sub. single crystals for neutron scintillator

    Czech Academy of Sciences Publication Activity Database

    Tanaka, Ch.; Yokota, Y.; Kurosawa, S.; Yamaji, A.; Jarý, Vítězslav; Babin, Vladimir; Pejchal, Jan; Ohashi, Y.; Kamada, K.; Nikl, Martin; Yoshikawa, A.

    2016-01-01

    Roč. 90, Jul (2016), s. 170-173 ISSN 1350-4487. [International Conference on Luminescent Detectors and Transformers of Ionizing Radiation (LUMDETR). Tartu (Estonsko), 20.09.2015-25.09.2015] R&D Projects: GA MŠk(CZ) LH14266 Institutional support: RVO:68378271 Keywords : neutron scintillator * LiCaAlF 6 * Pb2+ * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.442, year: 2016

  13. Metal-induced crystallization fundamentals and applications

    CERN Document Server

    Wang, Zumin; Mittemeijer, Eric J

    2014-01-01

    Introduction to Metal-Induced CrystallizationAtomic Mechanisms and Interface Thermodynamics of Metal-Induced Crystallization of Amorphous Semiconductors at Low TemperaturesThermodynamics and Kinetics of Layer Exchange upon Low-Temperature Annealing Amorphous Si/Polycrystalline Al Layered StructuresMetal-Induced Crystallization by Homogeneous Insertion of Metallic Species in Amorphous SemiconductorsAluminum-Induced Crystallization: Applications in Photovoltaic TechnologiesApplications of Metal-Induced Crystallization for Advanced Flat-Panel DisplaysLaser-Assisted Meta

  14. Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction.

    Science.gov (United States)

    Huang, Chao; Wu, Jie; Song, Chuanjun; Ding, Ran; Qiao, Yan; Hou, Hongwei; Chang, Junbiao; Fan, Yaoting

    2015-06-28

    Upon single-crystal-to-single-crystal (SCSC) oxidation/reduction, reversible structural transformations take place between the anionic porous zeolite-like Cu(I) framework and a topologically equivalent neutral Cu(I)Cu(II) mixed-valent framework. The unique conversion behavior of the Cu(I) framework endowed it as a redox-switchable catalyst for the direct arylation of heterocycle C-H bonds.

  15. Hardness of metallic crystals

    Indian Academy of Sciences (India)

    Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; Henan Key Laboratory of Advanced Non-ferrous Metals, Luoyang 471003, China; School of Materials Science and Engineering, Henan University of Science and Technology, ...

  16. Internal mechanical stresses and the thermodynamic and adhesion parameters of the metal condensate-single-crystal silicon system

    Science.gov (United States)

    Coman, B. P.; Juzevych, V. N.

    2012-07-01

    The kinetics of generation of internal mechanical stresses σ( d) in chromium, copper, gold, and aluminum thin films on single-crystal silicon substrates at different deposition rates has been experimentally investigated using the cantilever method. A two-step character of the variations in internal tensile stresses has been revealed. The regularities of the formation of the maximum level of mechanical stresses in the condensates under investigation have been established. The energy and adhesion parameters of chromium, copper, gold, and aluminum nanolayers on silicon, germanium, and nickel substrates have been studied using the macroscopic methods of surface physics. The interfacial energy, interfacial tension, work of adhesion, interfacial charge, and a new energy characteristic of the interfacial layer, namely, the energy of adhesive bonds, which exceeds the interfacial energy, have been determined.

  17. The friction and wear of metals and binary alloys in contact with an abrasive grit of single-crystal silicon carbide

    Science.gov (United States)

    Miyoshi, K.; Buckley, D. H.

    1979-01-01

    Sliding friction experiments were conducted with various metals and iron-base binary alloys (alloying elements Ti, Cr, Mn, Ni, Rh, and W) in contact with single-crystal silicon carbide riders. Results indicate that the coefficient of friction and groove height (corresponding to the wear volume) decrease linearly as the shear strength of the bulk metal increases. The coefficient of friction and groove height generally decrease with an increase in solute content of binary alloys. A separate correlation exists between the solute to iron atomic radius ratio and the decreasing rates of change of coefficient of friction and groove height with increasing solute content. These rates of change are minimum at a solute to iron radius ratio of unity. They increase as the atomic ratio increases or decreases linearly from unity. The correlations indicate that atomic size is an important parameter in controlling friction and wear of alloys.

  18. Single crystal growth of europium and ytterbium based intermetallic ...

    Indian Academy of Sciences (India)

    Abstract. This article covers the use of indium as a potential metal solvent for the crystal growth of europium and ytterbium-based intermetallic compounds. A brief view about the advantage of metal flux technique and the use of indium as reactive and non-reactive flux are outlined. Large single crystals of EuGe2, EuCoGe3.

  19. Hardness of metallic crystals

    Indian Academy of Sciences (India)

    Administrator

    -known Hall–Petch relationship predicts that the strength or hardness of conventional metal alloys increases with decreasing grain sizes. However, the rela- tionship fails when the grain size is down to nanometers as many experimental results ...

  20. Diffraction. Single crystal, magnetic

    International Nuclear Information System (INIS)

    Heger, G.

    1999-01-01

    The analysis of crystal structure and magnetic ordering is usually based on diffraction phenomena caused by the interaction of matter with X-rays, neutrons, or electrons. Complementary information is achieved due to the different character of X-rays, neutrons and electrons, and hence their different interactions with matter and further practical aspects. X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (K.A.)

  1. Single Crystal Surfaces

    Science.gov (United States)

    Aguilar-Santillan, Joaquin

    2014-06-01

    The present work studies (0001) Al2O3 and (111) Al2MgO4 wetting with pure molten Al by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) under Ar at PO2 10-15 Pa. Al pure liquid wets a smooth and chemically homogeneous surface of an inert solid, the wetting driving force ( t, T) can be readily studied when surface solid roughness increases in the system. Both crystals planes (0001) Al2O3 and (111) Al2MgO4 have crystallographic surfaces with identical O-2 crystalline positions however considering Mg2+ content in Al2MgO4 structure may influence a reactive mode. Kinetic models results under similar experimental conditions show that Al wetting on (0001) Al2O3 is less reactive than (111) Al2MgO4, however at >1273 K (1000 °C) (0001) Al2O3 transformation occurs and a transition of wetting improves. The (111) Al2MgO4 and Al system promotes interface formations that slow its wetting process.

  2. High-Performance Flexible Thin-Film Transistors Based on Single-Crystal-like Silicon Epitaxially Grown on Metal Tape by Roll-to-Roll Continuous Deposition Process.

    Science.gov (United States)

    Gao, Ying; Asadirad, Mojtaba; Yao, Yao; Dutta, Pavel; Galstyan, Eduard; Shervin, Shahab; Lee, Keon-Hwa; Pouladi, Sara; Sun, Sicong; Li, Yongkuan; Rathi, Monika; Ryou, Jae-Hyun; Selvamanickam, Venkat

    2016-11-02

    Single-crystal-like silicon (Si) thin films on bendable and scalable substrates via direct deposition are a promising material platform for high-performance and cost-effective devices of flexible electronics. However, due to the thick and unintentionally highly doped semiconductor layer, the operation of transistors has been hampered. We report the first demonstration of high-performance flexible thin-film transistors (TFTs) using single-crystal-like Si thin films with a field-effect mobility of ∼200 cm 2 /V·s and saturation current, I/l W > 50 μA/μm, which are orders-of-magnitude higher than the device characteristics of conventional flexible TFTs. The Si thin films with a (001) plane grown on a metal tape by a "seed and epitaxy" technique show nearly single-crystalline properties characterized by X-ray diffraction, Raman spectroscopy, reflection high-energy electron diffraction, and transmission electron microscopy. The realization of flexible and high-performance Si TFTs can establish a new pathway for extended applications of flexible electronics such as amplification and digital circuits, more than currently dominant display switches.

  3. Crystal ball single event display

    International Nuclear Information System (INIS)

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J.; Argonne National Lab., IL

    1997-01-01

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about π o 's and η's formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer

  4. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  5. Patterning of Perovskite Single Crystals

    KAUST Repository

    Corzo, Daniel

    2017-06-12

    As the internet-of-things hardware integration continues to develop and the requirements for electronics keep diversifying and expanding, the necessity for specialized properties other than the classical semiconductor performance becomes apparent. The success of emerging semiconductor materials depends on the manufacturability and cost as much as on the properties and performance they offer. Solution-based semiconductors are an emerging concept that offers the advantage of being compatible with large-scale manufacturing techniques and have the potential to yield high-quality electronic devices at a lower cost than currently available solutions. In this work, patterns of high-quality MAPbBr3 perovskite single crystals in specific locations are achieved through the modification of the substrate properties and solvent engineering. The fabrication of the substrates involved modifying the surface adhesion forces through functionalization with self-assembled monolayers and patterning them by photolithography processes. Spin coating and blade coating were used to deposit the perovskite solution on the modified silicon substrates. While single crystal perovskites were obtained with the modification of substrates alone, solvent engineering helped with improving the Marangoni flows in the deposited droplets by increasing the contact angle and lowering the evaporation rate, therefore controlling and improving the shape of the grown perovskite crystals. The methodology is extended to other types of perovskites such as the transparent MAPbCl3 and the lead-free MABi2I9, demonstrating the adaptability of the process. Adapting the process to electrode arrays opened up the path towards the fabrication of optoelectronic devices including photodetectors and field-effect transistors, for which the first iterations are demonstrated. Overall, manufacturing and integration techniques permitting the fabrication of single crystalline devices, such as the method in this thesis work, are

  6. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

    high-quality single crystals and exhibit large ambipolar mobilities. Nevertheless, a gap remains between the theory-predicted properties and this preliminary result, which itself is another fundamental challenge. This is further addressed by appropriate device optimization, and in particular, contact engineering approach to improve the charge injection efficiencies. The outcome is not only the achievement of new record ambipolar mobilities in one of the derivatives, namely, 4.8 cm2V-1s-1 for holes and 4.2 cm2V-1s-1 for electrons, but also provides a comprehensive and rational pathway towards the realization of high-performance organic semiconductors. Efforts to achieve high mobility in other organic single crystals are also presented. The second challenge is tuning the transition of electronic ground states, i.e., semiconducting, metallic and superconducting, in organic single crystals. Despite an active research area since four decades ago, we aim to employ the electrostatic approach instead of chemical doping for reversible and systematic control of charge densities within the same crystal. The key material in this study is the high-capacitance electrolyte, such as ionic liquids (ILs), whose specific capacitance reaches ~ μF/cm2, thus allowing accumulation of charge carrier above 1013 cm-2 when novel transport phenomena, such as insulator-metal transition and superconductivity, are likely to occur. This thesis addresses the electrical characterization, device physics and transport physics in electrolyte-gated single crystals, in the device architecture known as the electrical double layer transistor (EDLT). A detailed characterization scheme is first demonstrated for accurate determination of several key parameters, e.g., carrier mobility and charge density, in organic EDLTs. Further studies, combining both experiments and theories, are devoted to understanding the unusual charge density dependent channel conductivity and gate-to-channel capacitance behaviors. In

  7. Anion-exchange and anthracene-encapsulation within copper(II) and manganese(II)-triazole metal-organic confined space in a single crystal-to-single crystal transformation fashion.

    Science.gov (United States)

    Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min

    2014-06-16

    A new multidentate ligand 1-(9-(1H-1,2,4-triazol-1-yl)anthracen-10-yl)-1H-1,2,4-triazole (tatrz) was designed and synthesized. Using tatrz as a building block, three novel coordination frameworks, namely, {[Cu(tatrz)2(NO3)2]·(CH3OH)·4H2O}n (1), {[Cu(tatrz)2(H2O)2](BF4)2}n (2), and [Mn(tatrz)2(SCN)2(CH3OH)]·2H2O (3) can be isolated. Anion-exchange experiment indicates that NO3(-) anions in the two-dimensional (2D) copper framework of 1 can be completely exchanged by ClO4(-) in an irreversible single crystal-to-single crystal (SC-SC) transformation fashion, as evidenced by the anion-exchange products of {[Cu(tatrz)2(H2O)2](ClO4)2·4CH3OH} (1a). Further, if 1a was employed as a precursor in N,N-dimethylformamide (DMF), an isomorphic solvate of {[Cu(tatrz)2(DMF)2](ClO4)2·2H2O}n (1b) can be generated during the reversible dynamic transformation process. When 1 was immersed in CH3OH, a distinct 2D layer {[Cu(tatrz)2(NO3)2]·4.4CH3OH·0.6H2O}n (1c) was isolated. Interestingly, the solvent-exchange conversion is also invertible between 1 and 1c, which exhibits spongelike dynamic behavior with retention of crystalline integrity. If the 2-fold interpenetrating three-dimensional (3D) framework 2 is selected, it can be transformed into another 2-fold interpenetrating 3D framework {[Cu(tatrz)2(H2O)2](ClO4)2·5.56H2O}n (2a) in a reversible SC-SC transformation fashion. However, when the light yellow crystals of mononuclear complex 3 were exposed to trichloromethane containing aromatic organic anthracene (atan), through our careful observation, the crystals of 3 were dissolved and reassembled into dark brown crystals of 2D crystalline coordination framework {[Mn(tatrz)2(SCN)2]·(atan)}n (3a). X-ray diffraction revealed that in 3a, atan acting as an organic template was encapsulated in the confined space of the 2D grid. Luminescent measurements illustrate that 3a is the first report of multidimensional polymers based on triazole derivatives as luminescent probes of Mg(2+).

  8. Ultra-large single crystals by abnormal grain growth.

    Science.gov (United States)

    Kusama, Tomoe; Omori, Toshihiro; Saito, Takashi; Kise, Sumio; Tanaka, Toyonobu; Araki, Yoshikazu; Kainuma, Ryosuke

    2017-08-25

    Producing a single crystal is expensive because of low mass productivity. Therefore, many metallic materials are being used in polycrystalline form, even though material properties are superior in a single crystal. Here we show that an extraordinarily large Cu-Al-Mn single crystal can be obtained by abnormal grain growth (AGG) induced by simple heat treatment with high mass productivity. In AGG, the sub-boundary energy introduced by cyclic heat treatment (CHT) is dominant in the driving pressure, and the grain boundary migration rate is accelerated by repeating the low-temperature CHT due to the increase of the sub-boundary energy. With such treatment, fabrication of single crystal bars 70 cm in length is achieved. This result ensures that the range of applications of shape memory alloys will spread beyond small-sized devices to large-scale components and may enable new applications of single crystals in other metallic and ceramics materials having similar microstructural features.Growing large single crystals cheaply and reliably for structural applications remains challenging. Here, the authors combine accelerated abnormal grain growth and cyclic heat treatments to grow a superelastic shape memory alloy single crystal to 70 cm.

  9. Solvent exchange in a metal-organic framework single crystal monitored by dynamic in situ X-ray diffraction.

    Science.gov (United States)

    Cox, Jordan M; Walton, Ian M; Bateman, Gage; Benson, Cassidy A; Mitchell, Travis; Sylvester, Eric; Chen, Yu Sheng; Benedict, Jason B

    2017-08-01

    Understanding the processes by which porous solid-state materials adsorb and release guest molecules would represent a significant step towards developing rational design principles for functional porous materials. To elucidate the process of liquid exchange in these materials, dynamic in situ X-ray diffraction techniques have been developed which utilize liquid-phase chemical stimuli. Using these time-resolved diffraction techniques, the ethanol solvation process in a flexible metal-organic framework [Co(AIP)(bpy) 0.5 (H 2 O)]·2H 2 O was examined. The measurements provide important insight into the nature of the chemical transformation in this system including the presence of a previously unreported neat ethanol solvate structure.

  10. Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

    Science.gov (United States)

    Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

    2015-02-02

    Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Preparation of TiC single crystals

    International Nuclear Information System (INIS)

    Scheerer, B.; Fink, J.; Reichardt, W.

    1975-07-01

    TiC single crystals were prepared by vertical zone melting for measurements of the phonon dispersion by inelastic neutron scattering. The influence of the starting material and of the growing conditions on the growth of the crystal were studied. The crystals were characterized by chemical methods, EMX and neutron diffraction. It was possible to grow single crystals with a volume of up to 0.6 cm 3 and mosaic spread of less then 0.4 0 . (orig.) [de

  12. The first pseudo-ternary thiocyanate containing two alkali metals. Synthesis and single-crystal structure of LiK2[SCN]3

    International Nuclear Information System (INIS)

    Reckeweg, Olaf; DiSalvo, Francis J.

    2016-01-01

    A procedure was empirically developed to prepare the compound LiK 2 [SCN] 3 , which forms colorless, transparent, very fragile, and extremely hygroscopic thin rectangular plates. Its unique crystal structure was determined by single-crystal X-ray diffraction. LiK 2 [SCN] 3 adopts the orthorhombic space group Pna2 1 (no. 33, Z = 4) with the cell parameters a = 1209.32(9), b = 950.85(9), and c = 849.95(6) pm.

  13. Chemical vapor deposition of graphene single crystals.

    Science.gov (United States)

    Yan, Zheng; Peng, Zhiwei; Tour, James M

    2014-04-15

    deserves more attention in the near future. Following that, recent efforts in fabricating large single-crystal monolayer graphene on other metal substrates, including Ni, Pt, and Ru, are also described. The differences in growth conditions reveal different growth mechanisms on these metals. Another key challenge for graphene growth is to make graphene single crystals on insulating substrates, such as h-BN, SiO2, and ceramic. The recently developed plasma-enhanced CVD method can be used to directly synthesize graphene single crystals on h-BN substrates and is described in this Account as well. To summarize, recent research in synthesizing millimeter-sized monolayer graphene grains with different pretreatments, graphene grain shapes, metal catalysts, and substrates is reviewed. Although great advancements have been achieved in CVD synthesis of graphene single crystals, potential challenges still exist, such as the growth of wafer-sized graphene single crystals to further facilitate the fabrication of graphene-based devices, as well as a deeper understanding of graphene growth mechanisms and growth dynamics in order to make graphene grains with precisely controlled thicknesses and spatial structures.

  14. Large Silver Halide Single Crystals as Charged Particle Track Detectors

    Science.gov (United States)

    Kusmiss, J. H.

    1972-01-01

    The trajectory of the particle is made visible under a microscope by the accumulation of metallic silver at regions of the lattice damaged by the particle. This decoration of the particle track is accomplished by exposure of the crystal to light. The decoration of normally present lattice imperfections such as dislocations can be suppressed by the addition to the crystal of less than ten parts per million of a suitable polyvalent metal impurity. An account of some preliminary attempts to grow thin single crystals of AgCl is given also, and suggestions for a more refined technique are offered.

  15. Physics-Based Crystal Plasticity Modeling of Single Crystal Niobium

    Science.gov (United States)

    Maiti, Tias

    Crystal plasticity models based on thermally activated dislocation kinetics has been successful in predicting the deformation behavior of crystalline materials, particularly in face-centered cubic (fcc) metals. In body-centered cubic (bcc) metals success has been limited owing to ill-defined slip planes. The flow stress of a bcc metal is strongly dependent on temperature and orientation due to the non-planar splitting of a/2 screw dislocations. As a consequence of this, bcc metals show two unique deformation characteristics: (a) thermally-activated glide of screw dislocations--the motion of screw components with their non-planar core structure at the atomistic level occurs even at low stress through the nucleation (assisted by thermal activation) and lateral propagation of dislocation kink pairs; (b) break-down of the Schmid Law, where dislocation slip is driven only by the resolved shear stress. Since the split dislocation core has to constrict for a kink pair formation (and propagation), the non-planarity of bcc screw dislocation cores entails an influence of (shear) stress components acting on planes other than the primary glide plane on their mobility. Another consequence of the asymmetric core splitting on the glide plane is a direction-sensitive slip resistance, which is termed twinning/atwinning sense of shear and should be taken into account when developing constitutive models. Modeling thermally-activated flow including the above-mentioned non-Schmid effects in bcc metals has been the subject of much work, starting in the 1980s and gaining increased interest in recent times. The majority of these works focus on single crystal deformation of commonly used metals such as Iron (Fe), Molybdenum (Mo), and Tungsten (W), while very few published studies address deformation behavior in Niobium (Nb). Most of the work on Nb revolves around fitting parameters of phenomenological descriptions, which do not capture adequately the macroscopic multi-stage hardening

  16. Principles of crystallization, and methods of single crystal growth

    International Nuclear Information System (INIS)

    Chacra, T.

    2010-01-01

    Most of single crystals (monocrystals), have distinguished optical, electrical, or magnetic properties, which make from single crystals, key elements in most of technical modern devices, as they may be used as lenses, Prisms, or grating sin optical devises, or Filters in X-Ray and spectrographic devices, or conductors and semiconductors in electronic, and computer industries. Furthermore, Single crystals are used in transducer devices. Moreover, they are indispensable elements in Laser and Maser emission technology.Crystal Growth Technology (CGT), has started, and developed in the international Universities and scientific institutions, aiming at some of single crystals, which may have significant properties and industrial applications, that can attract the attention of international crystal growth centers, to adopt the industrial production and marketing of such crystals. Unfortunately, Arab universities generally, and Syrian universities specifically, do not give even the minimum interest, to this field of Science.The purpose of this work is to attract the attention of Crystallographers, Physicists and Chemists in the Arab universities and research centers to the importance of crystal growth, and to work on, in the first stage to establish simple, uncomplicated laboratories for the growth of single crystal. Such laboratories can be supplied with equipment, which are partly available or can be manufactured in the local market. Many references (Articles, Papers, Diagrams, etc..) has been studied, to conclude the most important theoretical principles of Phase transitions,especially of crystallization. The conclusions of this study, are summarized in three Principles; Thermodynamic-, Morphologic-, and Kinetic-Principles. The study is completed by a brief description of the main single crystal growth methods with sketches, of equipment used in each method, which can be considered as primary designs for the equipment, of a new crystal growth laboratory. (author)

  17. First example of a reversible single-crystal-to-single-crystal polymerization-depolymerization accompanied by a magnetic anomaly for a transition-metal complex with an organic radical.

    Science.gov (United States)

    Ovcharenko, Victor I; Fokin, Sergey V; Kostina, Elvina T; Romanenko, Galina V; Bogomyakov, Artem S; Tretyakov, Eugene V

    2012-11-19

    The reaction of copper(II) hexafluoroacetylacetonate [Cu(hfac)2] with the stable nitronyl nitroxide 2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl (L(a)) resulted in a paired heterospin complex [[Cu(hfac)2]3(μ-O,N-L(a))2][Cu(hfac)2(O-L(a))2]. The crystals of the compound were found to be capable of a reversible single-crystal-to-single-crystal (SC-SC) transformation initiated by the variation of temperature. At room temperature, the molecular structure of [[Cu(hfac)2]3(μ-O,N-L(a))2][Cu(hfac)2(O-L(a))2] is formed by the alternating fragments of the pair complex. Cooling the crystals of the complex below 225 K caused considerable mutual displacements of adjacent molecules, which ended in a transformation of the molecular structure into a polymer chain structure. A reversible topotactic polymerization-depolymerization coordination reaction actually takes place in the solid during repeated cooling-heating cycles: [[Cu(hfac)2]3(μ-O,N-L(a))2][Cu(hfac)2(O-L(a))2] ⇌ Cu(hfac)2(μ-O,N-L(a))]∞. Polymerization during cooling is the result of the anomalously great shortening of intermolecular distances (from 4.403 Å at 295 K to 2.460 Å at 150 K; Δd = 1.943 Å) between the terminal Cu atoms of the trinuclear fragments {[[Cu(hfac)2]3(μ-O,N-L(a))2]} and the noncoordinated N atoms of the pyrazole rings of the mononuclear {[Cu(hfac)2(O-L(a))2]} fragments. When the low-temperature phase was heated above 270 K, the polymer chain structure was destroyed and the compound was again converted to the pair molecular complex. The specifics of the given SC-SC transformation lies in the fact that the process is accompanied by a magnetic anomaly, because the intracrystalline displacements of molecules lead to a considerable change in the mutual orientation of the paramagnetic centers, which, in turn, causes modulation of the exchange interaction between the odd electrons of the Cu(2+) ion and nitroxide. On the temperature curve of

  18. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    November 2008 physics pp. 1109–1114. Neutron forward diffraction by single crystal prisms. SOHRAB ABBAS1,∗, APOORVA G WAGH1, MARKUS STROBL2 and. WOLFGANG ... vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an ... Bragg reflection, for several single crystal prisms.

  19. Ultratough single crystal boron-doped diamond

    Science.gov (United States)

    Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC

    2015-05-05

    The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

  20. The first pseudo-ternary thiocyanate containing two alkali metals. Synthesis and single-crystal structure of LiK{sub 2}[SCN]{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

    2016-04-01

    A procedure was empirically developed to prepare the compound LiK{sub 2}[SCN]{sub 3}, which forms colorless, transparent, very fragile, and extremely hygroscopic thin rectangular plates. Its unique crystal structure was determined by single-crystal X-ray diffraction. LiK{sub 2}[SCN]{sub 3} adopts the orthorhombic space group Pna2{sub 1} (no. 33, Z = 4) with the cell parameters a = 1209.32(9), b = 950.85(9), and c = 849.95(6) pm.

  1. Single crystal Processing and magnetic properties of gadolinium nickel

    Energy Technology Data Exchange (ETDEWEB)

    Shreve, Andrew John [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    GdNi is a rare earth intermetallic material that exhibits very interesting magnetic properties. Spontaneous magnetostriction occurs in GdNi at T{sub C}, on the order of 8000ppm strain along the c-axis and only until very recently the mechanism causing this giant magnetostriction was not understood. In order to learn more about the electronic and magnetic structure of GdNi, single crystals are required for anisotropic magnetic property measurements. Single crystal processing is quite challenging for GdNi though since the rare-earth transition-metal composition yields a very reactive intermetallic compound. Many crystal growth methods are pursued in this study including crucible free methods, precipitation growths, and specially developed Bridgman crucibles. A plasma-sprayed Gd2O3 W-backed Bridgman crucible was found to be the best means of GdNi single crystal processing. With a source of high-quality single crystals, many magnetization measurements were collected to reveal the magnetic structure of GdNi. Heat capacity and the magnetocaloric effect are also measured on a single crystal sample. The result is a thorough report on high quality single crystal processing and the magnetic properties of GdNi.

  2. Growth of emerald single crystals

    International Nuclear Information System (INIS)

    Bukin, G.V.; Godovikov, A.A.; Klyakin, V.A.; Sobolev, V.S.

    1986-01-01

    In addition to its use for jewelry, emerald can also be used in low-noise microwave amplifiers. The authors discuss flux crystallization of emerald and note that when emerald is grown by this method, it is desirable to use solvents which dissolve emerald with minimum deviations from congruence but at the same time with sufficient high efficiency. Emerald synthesis and crystal growth from slowly cooled solutions is discussed as another possibility. The techniques are examined. Vapor synthesis and growht of beryl crystals re reviewed and the authors experimentally study the seeded CVD crystallization of beryl from BeO, Al 2 O 3 and SiO 2 oxides, by using complex compounds as carrier agents. The color of crystals of emerald and other varieties of beryl is detemined by slelective light absorption in teh visible part of the spectrum and depends on the density and structural positions of chromphore ions: chromium, iron, vanadium, nickel, manganese and cobalt

  3. Density of states and spatially inhomogeneous conductance near the metal-insulator transition in Pr{sub 0.68}Pb{sub 0.32}MnO{sub 3} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Wirth, S; Roessler, Sahana; Ernst, S; Steglich, F [Max Planck Institute for Chemical Physics of Solids, Noethnitzer Strasse 40, 01187 Dresden (Germany); Padmanabhan, B; Bhat, H L; Elizabeth, Suja [Department of Physics, Indian Institute of Science, Bangalore 560012 (India)

    2008-10-29

    Single crystals of Pr{sub 0.68}Pb{sub 0.32}MnO{sub 3} have been investigated by scanning tunneling microscopy over a broad temperature range. In this material, a distinct separation of the ferromagnetic and the metal-insulator transition temperature, T{sub C}{approx}210 K and T{sub MI}{approx}255 K, respectively, was observed. Spectroscopic tunneling studies revealed that even on a local scale the system switches from predominantly metallic to insulating within a narrow temperature range around T{sub MI}. Inhomogeneities of the zero-bias conductance with small patches of metallic clusters on a length scale of 2-3 nm, however, were only observed within the temperature range T{sub C}metallic state, but homogeneous ferromagnetic and insulating states.

  4. Relaxor-PT Single Crystal Piezoelectric Sensors

    Directory of Open Access Journals (Sweden)

    Xiaoning Jiang

    2014-07-01

    Full Text Available Relaxor-PbTiO3 piezoelectric single crystals have been widely used in a broad range of electromechanical devices, including piezoelectric sensors, actuators, and transducers. This paper reviews the unique properties of these single crystals for piezoelectric sensors. Design, fabrication and characterization of various relaxor-PT single crystal piezoelectric sensors and their applications are presented and compared with their piezoelectric ceramic counterparts. Newly applicable fields and future trends of relaxor-PT sensors are also suggested in this review paper.

  5. Single crystal preparation of CuO

    NARCIS (Netherlands)

    Pieters, Th.W.J.; Nedermeyer, J.

    Single crystals of CuO are prepared by means of sublimation in a closed quartz capsule at 900 °C. The crystals have dimensions of 5 × 2 × 0.2 mm. Doping of the CuO with a few percent In2O3 (1 to 5% In/In + Cu) was necessary for the growth of the crystals. The residue contained CuO-In2O3 spinel.

  6. Crystal field in rare-earth metals and intermetallic compounds

    International Nuclear Information System (INIS)

    Ray, D.K.

    1978-01-01

    Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

  7. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud

    2016-01-28

    A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

  8. Charge transient spectroscopy of C 60 single crystals

    Science.gov (United States)

    Baranc̆ok, D.; Halus̆ka, M.; Kuzmany, H.; Nádaz̆dy, V.

    1994-01-01

    Suitability of the charge transient spectroscopy — QTS for the investigation of fullerites is demonstrated. QTS can yield an information on the electrical properties of both the bulk and the interface of fullerites interfaced with metals (insulators, semiconductors) as well as on its bulk phase transition. Our measurements were carried out on C60 single crystals. We observed a single QTS peak which reflects most probably a thermally activated relaxation process (polarization or trap - limited charge emission) in the crystal. The expected phase transition was detected as a step of QTS signal at 255 K. The influence of a thermal treatment in air on the QTS peak was also observed.

  9. Neutron forward diffraction by single crystal prisms

    International Nuclear Information System (INIS)

    Abbas, Sohrab; Wagh, Apoorva G.; Strobl, Markus; Treimer, Wolfgang

    2008-01-01

    We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater sensitivity to the incidence angle. We have measured the variation of neutron deflection and transmission across a Bragg reflection, for several single crystal prisms. The results agree well with theory. (author)

  10. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-04-01

    Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.

  11. Single Crystals Grown Under Unconstrained Conditions

    Science.gov (United States)

    Sunagawa, Ichiro

    Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

  12. Can the propensity of protein crystallization be increased by using systematic screening with metals?

    Science.gov (United States)

    Hegde, Raghurama P; Pavithra, Gowribidanur C; Dey, Debayan; Almo, Steven C; Ramakumar, S; Ramagopal, Udupi A

    2017-09-01

    Protein crystallization is one of the major bottlenecks in protein structure elucidation with new strategies being constantly developed to improve the chances of crystallization. Generally, well-ordered epitopes possessing complementary surface and capable of producing stable inter-protein interactions generate a regular three-dimensional arrangement of protein molecules which eventually results in a crystal lattice. Metals, when used for crystallization, with their various coordination numbers and geometries, can generate such epitopes mediating protein oligomerization and/or establish crystal contacts. Some examples of metal-mediated oligomerization and crystallization together with our experience on metal-mediated crystallization of a putative rRNA methyltransferase from Sinorhizobium meliloti are presented. Analysis of crystal structures from protein data bank (PDB) using a non-redundant data set with a 90% identity cutoff, reveals that around 67% of proteins contain at least one metal ion, with ∼14% containing combination of metal ions. Interestingly, metal containing conditions in most commercially available and popular crystallization kits generally contain only a single metal ion, with combinations of metals only in a very few conditions. Based on the results presented in this review, it appears that the crystallization screens need expansion with systematic screening of metal ions that could be crucial for stabilizing the protein structure or for establishing crystal contact and thereby aiding protein crystallization. © 2017 The Protein Society.

  13. Deformation Induced Microtwins and Stacking Faults in Aluminum Single Crystal

    Science.gov (United States)

    Han, W. Z.; Cheng, G. M.; Li, S. X.; Wu, S. D.; Zhang, Z. F.

    2008-09-01

    Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

  14. Stacking fault tetrahedron induced plasticity in copper single crystal

    International Nuclear Information System (INIS)

    Zhang, Liang; Lu, Cheng; Tieu, Kiet; Su, Lihong; Zhao, Xing; Pei, Linqing

    2017-01-01

    Stacking fault tetrahedron (SFT) is the most common type of vacancy clustered defects in fcc metals and alloys, and can play an important role in the mechanical properties of metallic materials. In this study, molecular dynamics (MD) simulations were carried out to investigate the incipience of plasticity and the underlying atomic mechanisms in copper single crystals with SFT. Different deformation mechanisms of SFT were reported due to the crystal orientations and loading directions (compression and tension). The results showed that the incipient plasticity in crystals with SFT resulted from the heterogeneous dislocation nucleation from SFT, so the stress required for plastic deformation was less than that needed for perfect single crystals. Three crystal orientations ([1 0 0], [1 1 0] and [1 1 1]) were specified in this study because they can represent most of the typical deformation mechanisms of SFT. MD simulations revealed that the structural transformation of SFT was frequent under the applied loading; a metastable SFT structure and the collapse of SFT were usually observed. The structural transformation resulted in a different reduction of yield stress in compression and tension, and also caused a decreased or reversed compression/tension asymmetry. Compressive stress can result in the unfaulting of Frank loop in some crystal orientations. According to the elastic theory of dislocation, the process of unfaulting was closely related to the size of the dislocation loop and the stacking fault energy.

  15. Light Emitting Transistors of Organic Single Crystals

    Science.gov (United States)

    Iwasa, Yoshihiro

    2009-03-01

    Organic light emitting transistors (OLETs) are attracting considerable interest as a novel function of organic field effect transistors (OFETs). Besides a smallest integration of light source and current switching devices, OLETs offer a new opportunity in the fundamental research on organic light emitting devices. The OLET device structure allows us to use organic single crystals, in contrast to the organic light emitting diodes (OLEDs), the research of which have been conducted predominantly on polycrystalline or amorphous thin films. In the case of OFETs, use of single crystals have produced a significant amount of benefits in the studies of pursuit for the highest performance limit of FETs, intrinsic transport mechanism in organic semiconductors, and application of the single crystal transistors. The study on OLETs have been made predominantly on polycrystalline films or multicomponent heterojunctions, and single crystal study is still limited to tetracene [1] and rubrene [2], which are materials with relatively high mobility, but with low photoluminescence efficiency. In this paper, we report fabrication of single crystal OLETs of several kinds of highly luminescent molecules, emitting colorful light, ranging from blue to red. Our strategy is single crystallization of monomeric or oligomeric molecules, which are known to have a very high photoluminescence efficiency. Here we report the result on single crystal LETs of rubrene (red), 4,4'-bis(diphenylvinylenyl)-anthracene (green), 1,4-bis(5-phenylthiophene-2-yl)benzene (AC5) (green), and 1,3,6,8-tetraphenylpyrene (TPPy) (blue), all of which displayed ambipolar transport as well as peculiar movement of voltage controlled movement of recombination zone, not only from the surface of the crystal but also from the edges of the crystals, indicting light confinement inside the crystal. Realization of ambipolar OLET with variety of single crystals indicates that the fabrication method is quite versatile to various light

  16. Crystal plasticity study of single crystal tungsten by indentation tests

    International Nuclear Information System (INIS)

    Yao, Weizhi

    2012-01-01

    Owing to its favorable material properties, tungsten (W) has been studied as a plasma-facing material in fusion reactors. Experiments on W heating in plasma sources and electron beam facilities have shown an intense micro-crack formation at the heated surface and sub-surface. The cracks go deep inside the irradiated sample, and often large distorted areas caused by local plastic deformation are present around the cracks. To interpret the crack-induced microscopic damage evolution process in W, one needs firstly to understand its plasticity on a single grain level, which is referred to as crystal plasticity. In this thesis, the crystal plasticity of single crystal tungsten (SCW) has been studied by spherical and Berkovich indentation tests and the finite element method with a crystal plasticity model. Appropriate values of the material parameters included in the crystal plasticity model are determined by fitting measured load-displacement curves and pile-up profiles with simulated counterparts for spherical indentation. The numerical simulations reveal excellent agreement with experiment. While the load-displacement curves and the deduced indentation hardness exhibit little sensitivity to the indented plane at small indentation depths, the orientation of slip directions within the crystals governs the development of deformation hillocks at the surface. It is found that several factors like friction, indentation depth, active slip systems, misoriented crystal orientation, misoriented sample surface and azimuthal orientation of the indenter can affect the indentation behavior of SCW. The Berkovich indentation test was also used to study the crystal plasticity of SCW after deuterium irradiation. The critical load (pop-in load) for triggering plastic deformation under the indenter is found to depend on the crystallographic orientation. The pop-in loads decrease dramatically after deuterium plasma irradiation for all three investigated crystallographic planes.

  17. Magnetoresistance in terbium and holmium single crystals

    International Nuclear Information System (INIS)

    Singh, R.L.; Jericho, M.H.; Geldart, D.J.W.

    1976-01-01

    The longitudinal magnetoresistance of single crystals of terbium and holmium metals in their low-temperature ferromagnetic phase has been investigated in magnetic fields up to 80 kOe. Typical magnetoresistance isotherms exhibit a minimum which increases in depth and moves to higher fields as the temperature increases. The magnetoresistance around 1 0 K, where inelastic scattering is negligible, has been interpreted as the sum of a negative contribution due to changes in the domain structure and a positive contribution due to normal magnetoresistance. At higher temperatures, a phenomenological approach has been developed to extract the inelastic phonon and spin-wave components from the total measured magnetoresistance. In the temperature range 4--20 0 K (approximately), the phonon resistivity varies as T 3 . 7 for all samples. Approximate upper and lower bounds have been placed on the spin-wave resistivity which is also found to be described by a simple power law in this temperature range. The implications of this result for theoretical treatments of spin-wave resistivity due to s-f exchange interactions are considered. It is concluded that the role played by the magnon energy gap is far less transparent than previously suggested

  18. The growth of sapphire single crystals

    Directory of Open Access Journals (Sweden)

    STEVAN DJURIC

    2001-06-01

    Full Text Available Sapphire (Al2O3 single crystals were grown by the Czochralski technique both in air and argon atmospheres. The conditions for growing sapphire single crystals were calculated by using a combination of Reynolds and Grashof numbers. Acritical crystal diameter dc = 20 mm and the critical rate of rotation wc = 20 rpm were calculated from the hydrodynamics of the melt. The value of the rate of crystal growth was experimentally found to be 3.5 mm/h. According to our previous experiments, it was confirmed that three hours exposures to conc. H3PO4 at 593 K was suitable for chemical polishing. Also, three hours exposure to conc.H3PO4 at 523 K was found to be a suitable etching solution. The lattice parameters a = 0.47573 nm and c = 1.29893 nm were determined by X-ray powder diffraction. The obtained results are discussed and compared with published data.

  19. Single Crystal Diffuse Neutron Scattering

    Directory of Open Access Journals (Sweden)

    Richard Welberry

    2018-01-01

    Full Text Available Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. In this paper, we compare three different instruments that have been used by us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.

  20. Growth and characterization of nonlinear optical single crystals: bis ...

    Indian Academy of Sciences (India)

    methoxy benzoate (C4MB) single crystals were successfully grown by the slow evaporation solution growth technique. The harvested crystals were subjected to single-crystal X-ray diffraction, spectral, optical, thermal and mechanical studies in ...

  1. Single crystal LaB/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Noack, M.A.

    1979-07-01

    Single crystals of LaB/sub 6/ were prepared by float zone refining of hot pressed blocks of LaB/sub 6/. The orientations studied were (001), (110), and a high index plane. The resulting crystals and the as-received material were chemically analyzed by vacuum fusion, combustion analysis, self-arc mass spectroscopy, and wet chemical analysis. The first two provided accurate analysis for O, N, H, and C. The remaining elements except for La and B were determined by mass spectroscopy. The wet chemical analyses determined the B/La ratio. Two batches of as-received material had B/La ratios of 6.0 and 5.8, respectively. Slightly lower B/La ratios were obtained in the single crystals grown by the float zone technique from these materials. The single crystals were further characterized by measurements of lattice parameter and density. Work function values were determined by the FERP method and the thermionic method. Work function measurements in conjunction with Auger analysis of the crystals provided insight into the electron emission character of LaB/sub 6/. Results indicate that for maximum emission from a crystal plane a proper heat treatment is necessary. Brightness of the crystals was measured in a Cambridge S-4 scanning electron microscope using a Broers type gun. Results show that a brightness of 10/sup 6/ amp/cm/sup 2/ steradian (20kV) may be achieved with a single crystal LaB/sub 6/ cathode operating at a temperature of 1900/sup 0/K which corresponds to a lifetime greater than 500 hrs for 1 mm cathodes.

  2. Sputtering yield measurements on single crystal cobalt

    International Nuclear Information System (INIS)

    Chernysh, V.S.; Johansen, A.; Sarholt-Kristensen, L.

    1981-01-01

    Single crystals of cobalt have been bombarded with 80 keV A + ions in the direction of the h.c.p. structure and in the direction of the f.c.c. structure. The sputtering yields, measured by the weight loss method, depend on the crystal structure, and damage, introduced by the ion bombardment, is shown to play a significant role in the explanation of the measured sputtering yields. (Auth.)

  3. A study on new types of metallic photonic crystals

    International Nuclear Information System (INIS)

    Ahmed, M.I.

    2013-01-01

    In this thesis, I tried to synthesize a one dimension dielectric photonic crystal. I have succeeded in depositing single layers of zinc oxide and magnesium oxide on glass substrates. Each single layer was characterized by a scanning electron microscope, X-ray diffraction, A Mirue interferometer, and a spectrophotometer. The refractive indices, extinction coefficients, and absorption coefficients of each single layer were calculated from the measured transmittance, reflectance, and thickness data. Using the calculated parameters (refractive indices) and measured parameters (thicknesses) the transmission spectrum of the one dimension photonic crystal composed of zinc oxide and magnesium oxide was modelled. Using the transfer matrix method, a comparative study of the one dimension-dielectric and metallic photonic crystals was done. Effect of the refractive index difference, filling factor, number of periods, Plasmon frequency, damping coefficient, and incidence angle on the transmittance of the dielectric and metallic photonic crystal was carried out. A multilayered structure composed of Silver and Gallium Nitride was designed to transmit in the visible region, block UV frequencies, and reflect the IR and microwave frequencies. Using a combination of MaxwellGarnett Approximation and the transfer matrix method; the properties of a nanocomposite photonic crystal consisting of Cryolite and spherical nanoparticles of silver distributed in a dielectric matrix of titanium dioxide was studied. Effect of the nanoparticle concentration, lattice constant and incidence angle on the polaritonic and structure photonic band gap were studied.

  4. Single chirality through crystal grinding

    NARCIS (Netherlands)

    Noorduin, W.L.

    2010-01-01

    The properties of chiral molecules in living organisms can be different for left- and right-handed molecules. Therefore, ways to produce molecules of single handedness are of paramount importance, especially for economical, high yielding processes to synthesize pharmaceutical compounds that must be

  5. Single crystal growth and X-ray structure analysis of non-peripheral octahexyl phthalocyanine

    Science.gov (United States)

    Ohmori, Masashi; Nakano, Chika; Higashi, Takuya; Miyano, Tetsuya; Tohnai, Norimitsu; Fujii, Akihiko; Ozaki, Masanori

    2016-07-01

    The single-crystal structure of metal-free non-peripheral octahexyl-substituted phthalocyanine (C6PcH2) has been investigated by single-crystal X-ray structure analysis. Two types of C6PcH2 single crystal, bulk and needle crystals, were separately grown by controlling the recrystallization conditions. The structures of the two types of crystal were determined, and were found to be completely different, that is, C6PcH2 exhibits structural polymorphism. It has been clarified that the C6PcH2 microcrystals in thin films used in previously reported electronic devices have the needle structure.

  6. Liquid crystal on subwavelength metal gratings

    Energy Technology Data Exchange (ETDEWEB)

    Palto, S. P.; Barnik, M. I.; Artemov, V. V.; Shtykov, N. M.; Geivandov, A. R.; Yudin, S. G.; Gorkunov, M. V. [Shubnikov Institute of Crystallography of Russian Academy of Sciences, Leninsky pr. 59, 119333 Moscow (Russian Federation)

    2015-06-14

    Optical and electrooptical properties of a system consisting of subwavelength metal gratings and nematic liquid crystal layer are studied. Aluminium gratings that also act as interdigitated electrodes are produced by focused ion beam lithography. It is found that a liquid crystal layer strongly influences both the resonance and light polarization properties characteristic of the gratings. Enhanced transmittance is observed not only for the TM-polarized light in the near infrared spectral range but also for the TE-polarized light in the visible range. Although the electrodes are separated by nanosized slits, and the electric field is strongly localized near the surface, a pronounced electrooptical effect is registered. The effect is explained in terms of local reorientation of liquid crystal molecules at the grating surface and propagation of the orientational deformation from the surface into the bulk of the liquid crystal layer.

  7. Crystal growth and evaluation of scintillation properties of Eu and alkali-metal co-doped LiSrAlF{sub 6} single crystals for thermal neutron detector

    Energy Technology Data Exchange (ETDEWEB)

    Wakahara, Shingo; Yokota, Yuui; Yamaji, Akihiro; Fujimoto, Yutaka; Sugiyama, Makoto; Kurosawa, Shunsuke [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Yanagida, Takayuki [New Industry Creation Hatchery Center (NICHe), 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan); Pejchal, Jan [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Institute of Physics AS CR, Cukrovarnicka 10, Prague 16253 (Czech Republic); Kawaguchi, Noriaki [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); Tokuyama, Co. Ltd., Shibuya 3-chome, Shibuya-ku, Tokyo 150-8383 (Japan); Fukuda, Kentaro [Tokuyama, Co. Ltd., Shibuya 3-chome, Shibuya-ku, Tokyo 150-8383 (Japan); Yoshikawa, Akira [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577 (Japan); New Industry Creation Hatchery Center (NICHe), 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi 980-8579 (Japan)

    2012-12-15

    In recent work, Na co-doping have found to improve the light output of Eu doped LiCaAlF{sub 6} (Eu:LiCAF) for thermal neutron scintillator. We grew Eu 2% and alkali metal 1% co-doped LiSAF crystals by Micro-Pulling down method to understand the effect of alkali metal co-doping on scintillation properties and mechanism compared with LiCAF. In photo- and {alpha}-ray induced radio-luminescence spectra of the all grown crystals, the emissions from d-f transition of Eu{sup 2+} were observed. Without relation to excitation source, decay times of co-doped LiSAF were longer than Eu only doped one. The light yield of Na, K and Cs co-doped LiSAF under {sup 252}Cf neutron excitation were improved. Especially, K co-doped Eu:LiSAF reached 33200 ph/n, which outperformed Eu only doped one by approximately 20% (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Chiral multichromic single crystals for optical devices (LDRD 99406).

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Richard Alan; Felix, Ana M. (University of New Mexico, Albuquerque, NM)

    2006-12-01

    This report summarizes our findings during the study of a novel system that yields multi-colored materials as products. This system is quite unusual as it leads to multi-chromic behavior in single crystals, where one would expect that only a single color would exist. We have speculated that these novel solids might play a role in materials applications such as non-linear optics, liquid crystal displays, piezoelectric devices, and other similar applications. The system examined consisted of a main-group alkyl compound (a p block element such as gallium or aluminum) complexed with various organic di-imines. The di-imines had substituents of two types--either alkyl or aromatic groups attached to the nitrogen atoms. We observed that single crystals, characterized by X-ray crystallography, were obtained in most cases. Our research during January-July, 2006, was geared towards understanding the factors leading to the multi-chromic nature of the complexes. The main possibilities put forth initially considered (a) the chiral nature of the main group metal, (b) possible reduction of the metal to a lower-valent, radical state, (c) the nature of the ligand(s) attached to the main group metal, and (d) possible degradation products of the ligand leading to highly-colored products. The work carried out indicates that the most likely explanation considered involves degradation of the aromatic ligands (a combination of (c) and (d)), as the experiments performed can clearly rule out (a) and (b).

  9. Mechanical Properties Of Single Crystal Ceramics

    Science.gov (United States)

    Rowcliffe, D. J.; Johnson, S. M.

    1987-03-01

    Approaches to characterizing the mechanical behavior of single crystal ceramics are reviewed. Consideration is given to techniques applicable to large crystals and to indentation techniques that can be used on crystals of 1 mm or less. The importance of flaws in controlling the mechanical behavior of brittle ceramics is discussed, leading to an emphasis on fracture mechanics methods. These techniques are applicable to the determination of fracture toughness and to the measurement of slow crack growth in aggresive environments. Indentation processes have been analyzed extensively and the good understanding of stress fields and micro-mechanics of indentation has led to techniques to measure hardness, toughness and elastic modulus. Measurements of hardness anistropy can be used to determine slip planes and also provide considerable information on local plastic flow in brittle crystals.

  10. Catalyzed hydrogenation of nitrogen and ethylene on metal (Fe, Pt) single crystal surfaces and effects of coadsorption: A sum frequency generation vibrational spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Westerberg, Staffan Per Gustav [Univ. of California, Berkeley, CA (United States)

    2004-01-01

    High-pressure catalytic reactions and associated processes, such as adsorption have been studied on a molecular level on single crystal surfaces. Sum Frequency Generation (SFG) vibrational spectroscopy together with Auger Electron Spectroscopy (AES), Temperature Programmed Desorption (TPD) and Gas Chromatography (GC) were used to investigate the nature of species on catalytic surfaces and to measure the catalytic reaction rates. Special attention has been directed at studying high-pressure reactions and in particular, ammonia synthesis in order to identify reaction intermediates and the influence of adsorbates on the surface during reaction conditions. The adsorption of gases N2, H2, O2 and NH3 that play a role in ammonia synthesis have been studied on the Fe(111) crystal surface by sum frequency generation vibrational spectroscopy using an integrated Ultra-High Vacuum (UHV)/high-pressure system. SFG spectra are presented for the dissociation intermediates, NH2 (~3325 cm-1) and NH (~3235 cm-1) under high pressure of ammonia (200 Torr) on the clean Fe(111) surface. Addition of 0.5 Torr of oxygen to 200 Torr of ammonia does not significantly change the bonding of dissociation intermediates to the surface. However, it leads to a phase change of nearly 180° between the resonant and non-resonant second order non-linear susceptibility of the surface, demonstrated by the reversal of the SFG spectral features. Heating the surface in the presence of 200 Torr ammonia and 0.5 Torr oxygen reduces the oxygen coverage, which can be seen from the SFG spectra as another relative phase change of 180°. The reduction of the oxide is also supported by Auger electron spectroscopy. The result suggests that the phase change of the spectral features could serve as a sensitive indicator of the chemical environment of the adsorbates.

  11. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)

    Vickers and knoop hardness measurements were carried out on CsBr and CsI single crystals. Polycrystalline blanks of CsCl, CsBr and CsI were prepared by melting and characterized by X-ray diffraction. Vickers hardness measurements were carried out on these blanks. The hardness values were correlated with the lattice ...

  12. High Field Magnetization of Tb Single Crystals

    DEFF Research Database (Denmark)

    Roeland, L. W.; Cock, G. J.; Lindgård, Per-Anker

    1975-01-01

    The magnetization of Tb single crystals was measured in magnetic fields to 34T along the hard direction at temperature of 1.8, 4.2, 65.5 and 77K, and along with easy direction at 4.2 and 77K. The data are compared with the results of a self-consistent spin wave calculation using a phenomenological...

  13. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    Abstract. We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater ...

  14. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater sensitivity to ...

  15. Antiferromagnetism in chromium alloy single crystals

    DEFF Research Database (Denmark)

    Bjerrum Møller, Hans; Trego, A.L.; Mackintosh, A.R.

    1965-01-01

    The antiferromagnetism of single crystals of dilute alloys of V, Mn and Re in Cr has been studied at 95°K and 300°K by neutron diffraction. The addition of V causes the diffraction peaks to decrease in intensity and move away from (100), while Mn and Re cause them to increase and approach (100) s...

  16. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

    Marquina, C; Sikora, M; Ibarra, MR; Nugroho, AA; Palstra, TTM

    In this paper we report on the lattice effects in the Mott insulator yttrium orthovanadate (YVO3). Linear thermal expansion and magnetostriction experiments have been performed on a single crystal, in the temperature range from 5 K to room temperature. The YVO3 orders antiferromagnetically at T-N =

  17. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, Roderik Adriaan; Pinedo, Herbert Michael

    2013-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  18. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, R.A.; Pinedo, Herbert Michael

    2010-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  19. Single-Crystal Germanium Core Optoelectronic Fibers

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Xiaoyu [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Page, Ryan L. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Chaudhuri, Subhasis [Department of Chemistry, Pennsylvania State University, University Park PA 16802 USA; Liu, Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Yu, Shih-Ying [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Mohney, Suzanne E. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Badding, John V. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Department of Chemistry, Pennsylvania State University, University Park PA 16802 USA; Department of Physics, Pennsylvania State University, University Park PA 16802 USA; Gopalan, Venkatraman [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA

    2016-09-19

    Synthesis and fabrication of high-quality, small-core single-crystal germanium fibers that are photosensitive at the near-infrared and have low optical losses ≈1 dB cm-1 at 2 μm are reported. These fibers have potential applications in fiber-based spectroscopic imaging, nonlinear optical devices, and photodetection at the telecommunication wavelengths.

  20. Organic field-effect transistors using single crystals.

    Science.gov (United States)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-04-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  1. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

    Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  2. Friction stir welding of single crystal aluminium

    DEFF Research Database (Denmark)

    Fonda, Richard Warren; Wert, John A.; Reynolds, A.P.

    2007-01-01

    Friction stir welds were prepared in different orientations in an aluminium single crystal. The welds were quenched to preserve the microstructure surrounding the tool and then electron backscattered diffraction was used to reveal the generation of grain boundaries and the evolution...... to new crystal orientations, producing new grain boundaries in the process. These refined grains develop a {112}. texture closer to the tool. Large conventionally recrystallised grains sometimes form in the outer regions of the refined grain structure, but become ever more deformed as they approach...

  3. Preparation of high purity yttrium single crystals by electrotransport

    International Nuclear Information System (INIS)

    Volkov, V.T.; Nikiforova, T.V.; Ionov, A.M.; Pustovit, A.N.; Sikharulidse, G.G.

    1981-01-01

    The possibility of obtaining yttrium crystals of high purity by the method of solid state electrotransport (SSE) was investigated in the present work. The behaviour of low contents of iron, aluminium, silicon, tantalum, copper, silver and vanadium as metallic impurities was studied using mass spectrometry. It is shown that all the impurities investigated, except copper, migrate to the anode. During electrotransfer a purification with respect to these impurities by a factor of 4 - 6 is obtained. It is proposed that the diffusion coefficients of the metallic impurities investigated are anomalously high and that the behaviour of the impurities during SSE in adapters necessitates further investigation. By using a three-stage process with intermediate removal of the anode end yttrium single crystals with a resistance ratio rho 293 /rhosub(4.2)=570 were produced. (Auth.)

  4. The Surface Structure of Ground Metal Crystals

    Science.gov (United States)

    Boas, W.; Schmid, E.

    1944-01-01

    The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).

  5. Irradiation creep in zirconium single crystals

    International Nuclear Information System (INIS)

    MacEwen, S.R.; Fidleris, V.

    1976-07-01

    Two identical single crystals of crystal bar zirconium have been creep tested in reactor. Both specimens were preirradiated at low stress to a dose of about 4 x 10 23 n/m 2 (E > 1 MeV), and were then loaded to 25 MPa. The first specimen was loaded with reactor at full power, the second during a shutdown. The loading strain for both crystals was more than an order of magnitude smaller than that observed when an identical unirradiated crystal was loaded to the same stress. Both crystals exhibited periods of primary creep, after which their creep rates reached nearly constant values when the reactor was at power. During shutdowns the creep rates decreased rapidly with time. Electron microscopy revealed that the irradiation damage consisted of prismatic dislocation loops, approximately 13.5 nm in diameter. Cleared channels, identified as lying on (1010) planes, were also observed. The results are discussed in terms of the current theories for flux enhanced creep in the light of the microstructures observed. (author)

  6. Growth of 2-amino-5-chlorobenzophenone single crystal by ...

    Indian Academy of Sciences (India)

    Abstract. Organic single crystals of 2-amino-5-chlorobenzophenone (2A5CB) were grown by Microtube Czochral- ski method using Microtube as a seed. The grown crystals were characterized by single crystal and powder X-ray diffraction. The functional groups of the grown crystal were found using Fourier transform ...

  7. In situ inward epitaxial growth of bulk macroporous single crystals.

    Science.gov (United States)

    Chen, Chenlong; Sun, Shujing; Chou, Mitch M C; Xie, Kui

    2017-12-19

    The functionalities of porous materials could be significantly enhanced if the materials themselves were in single-crystal form, which, owing to structural coherence, would reduce electronic and optical scattering effects. However, growing macroporous single crystals remains a fundamental challenge, let alone manufacturing crystals large enough to be of practical use. Here we demonstrate a straightforward, inexpensive, versatile method for creating macroporous gallium nitride single crystals on a centimetre scale. The synthetic strategy is built upon a disruptive crystal growth mechanism that utilises direct nitridation of a parent LiGaO 2 single crystal rendering an inward epitaxial growth process. Strikingly, the resulting single crystals exhibit electron mobility comparable to that for bulk crystals grown by the conventional sodium flux method. This approach not only affords control of both crystal and pore size through synthetic modification, but proves generic, thus opening up the possibility of designing macroporous crystals in a wealth of other materials.

  8. Single-crystal neutron diffraction analysis in chemistry

    International Nuclear Information System (INIS)

    Hosoya, Takaaki; Ohhara, Takashi

    2010-01-01

    Single-crystal neutron diffraction technique is a powerful method to analyze the reaction mechanism whose hydrogen atom or proton has a key role in the reaction. Especially hydrogen atom or proton transfer(HT/PT) is one of the most elemental phenomena and often observed in many organic, inorganic, enzymatic and catalytic reactions. We describe several applications in chemistry. At first, hydrogen atom in metal hydride complexes, which is quite difficult to do using X-ray diffraction because of the great cloud of electrons of central metal atom. Secondary, hydrogen atom in hydrogen-bonding network, e.g., low-barrier hydrogen bond(LBHB) system. Neutron diffraction can refine the thermal motion of hydrogen atom. Finally, our results, photo-induced HT/PTs using 'deuterium atom labeling' technique and 'crystalline-state reaction' technique, which are currently developing applications. Despite the success illustrated by the many studies presented here or many other studies, we have many problems in using single-crystal neutron diffraction technique. For example, extremely limited flux and the requirement for mm-size sample crystals. Now, these limitations are being solved by the operation of powerful instruments at a new generation of pulsed neutron sources, including iBIX diffractometer running at Japan Proton Accelerator Research Complex(J-PARC) in Japan. (author)

  9. Crystal growth and anisotropy of high temperature thermoelectric properties of yttrium borosilicide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, M. Anwar [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan); Center for Crystal Science and Technology, University of Yamanashi, Miyamae 7-32, Kofu, Yamanashi 400-8511 (Japan); Tanaka, Isao [Center for Crystal Science and Technology, University of Yamanashi, Miyamae 7-32, Kofu, Yamanashi 400-8511 (Japan); Tanaka, Takaho; Khan, A. Ullah [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan); Mori, Takao, E-mail: MORI.Takao@nims.go.jp [International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan); Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennoudai, Tsukuba 305-8671 (Japan)

    2016-01-15

    We studied thermoelectric properties of YB{sub 41}Si{sub 1.3} single crystals grown by the floating zone method. The composition of the grown crystal was confirmed by electron probe micro-analysis. We have determined the growth direction for the first time for these borosilicides, and discovered relatively large anisotropy in electrical properties. We measured the electrical resistivity and Seebeck coefficient along [510] (the growth direction) and [052] directions and we found that this crystal exhibits strong electrical anisotropy with a maximum of more than 8 times. An interesting layered structural feature is revealed along [510] with dense boron cluster layers and yttrium layers, with conductivity enhanced along this direction. We obtained 3.6 times higher power factor along [510] compared to that along [052]. Although the ZT of the present system is low, anisotropy in the thermoelectric properties of a boride was reported for the first time, and can be a clue in developing other boride systems also. - Graphical abstract: The growth direction ([510]) was determined for the first time in YB{sub 41}Si{sub 1.3} single crystals and revealed an interesting layered feature of boron clusters and metal atoms, along which the electrical conductivity and thermoelectric power factor was strongly enhanced. - Highlights: • We have grown YB{sub 41}Si{sub 1.3} single crystals by the floating zone method. • Growth direction of [510] determined for first time in REB{sub 41}Si{sub 1.2}. • Electrical resistivity was strongly anisotropic with possible enhancement along metal layers. • The obtained power factor along [510] is 3.6 times higher than that along [052].

  10. Growth of single crystals of BaFe12O19 by solid state crystal growth

    International Nuclear Information System (INIS)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-01-01

    Single crystals of BaFe 12 O 19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe 12 O 19 are buried in BaFe 12 O 19 +1 wt% BaCO 3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe 12 O 19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe 12 O 19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth. - Highlights: • Single crystals of BaFe 12 O 19 are grown by solid state crystal growth. • A single crystal up to ∼130 μm thick (c-axis direction) grows on the seed crystal. • The single crystal and surrounding ceramic matrix have similar composition. • Micro-Raman scattering shows the single crystal has the BaFe 12 O 19 structure.

  11. Single crystal plasticity by modeling dislocation density rate behavior

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Benjamin L [Los Alamos National Laboratory; Bronkhorst, Curt [Los Alamos National Laboratory; Beyerlein, Irene [Los Alamos National Laboratory; Cerreta, E. K. [Los Alamos National Laboratory; Dennis-Koller, Darcie [Los Alamos National Laboratory

    2010-12-23

    The goal of this work is to formulate a constitutive model for the deformation of metals over a wide range of strain rates. Damage and failure of materials frequently occurs at a variety of deformation rates within the same sample. The present state of the art in single crystal constitutive models relies on thermally-activated models which are believed to become less reliable for problems exceeding strain rates of 10{sup 4} s{sup -1}. This talk presents work in which we extend the applicability of the single crystal model to the strain rate region where dislocation drag is believed to dominate. The elastic model includes effects from volumetric change and pressure sensitive moduli. The plastic model transitions from the low-rate thermally-activated regime to the high-rate drag dominated regime. The direct use of dislocation density as a state parameter gives a measurable physical mechanism to strain hardening. Dislocation densities are separated according to type and given a systematic set of interactions rates adaptable by type. The form of the constitutive model is motivated by previously published dislocation dynamics work which articulated important behaviors unique to high-rate response in fcc systems. The proposed material model incorporates thermal coupling. The hardening model tracks the varying dislocation population with respect to each slip plane and computes the slip resistance based on those values. Comparisons can be made between the responses of single crystals and polycrystals at a variety of strain rates. The material model is fit to copper.

  12. Optical properties of lithium niobate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Palatnikov, M.N.; Sidorov, N.V.; Biryukova, I.V.; Kalinnikov, V.T. [Institute of Chemistry, Kola Science Centre RAS, 26a Fersman str., 184200 Apatity, Murmansk region (Russian Federation); Bormanis, K. [Institute of Solid State Physics, University of Latvia, 8 Kengaraga str., Riga, LV-1063 (Latvia)

    2005-01-01

    Studies of thermal and {gamma}-irradiation effects on the optical properties in congruous lithium niobate single crystals containing Y, Mg, Gd, B, and Zn dopants including samples with double dopants Y, Mg and Gd, Mg are reported. Formation of defects at irradiation and thermal treatment of the samples is explored by electron absorption spectra. Considerable increase of absorption with the dose of {gamma}-radiation is observed at 500 nm. The changes of absorption examined under different conditions are explained by creation and destruction of Nb{sup 4+} defects. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. NMR studies of single crystal chromium diboride

    Energy Technology Data Exchange (ETDEWEB)

    Michioka, C. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)]. E-mail: michioka@kuchem.kyoto-u.ac.jp; Itoh, Y. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Yoshimura, K. [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Watabe, Y. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan); Kousaka, Y. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan); Ichikawa, H. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan); Akimitsu, J. [Department of Physics and Mathematics, Aoyama Gakuin University, Sagamihara, Kanagawa 229-8558 (Japan)

    2007-03-15

    We report {sup 11}B NMR studies of a single crystal CrB{sub 2}. From the temperature dependence of the Fourier-transformed NMR spectra in the paramagnetic state, the hyperfine coupling constants are estimated to be A{sub Cr-B} = -0.64,-0.74 and -0.71kOe/{mu}{sub B} for H parallel c, H parallel a and H parallel [210], respectively. In the magnetically ordered state, the spectra in H parallel a and H parallel [210] consist of superposition of a broad hump and five peaks, which correspond to the incommensurate and commensurate spin structures.

  14. Photoelectric studies of gallium monosulfide single crystals

    Science.gov (United States)

    Gamal, G. A.; Azad, M. I.

    2005-10-01

    Photoconductivity studies were carried out on GaS single crystals prepared from melt by directional solidification. We studied the effect of light intensity, applied voltage on both the photoconductivity and the lifetime of carriers. The V-I characteristics and the absorption spectra were checked for different sample thickness. The present investigation was extended to study the spectral distribution of the photocurrent for GaS. It was found that the photocurrent curves are practically independent on the bias voltage. The energy gap for GaS was found to be 2.5 eV.

  15. X-ray diffraction studies of NbTe2 single crystal

    Indian Academy of Sciences (India)

    Unknown

    Transition metal dichalcogenides; NbTe2 single crystal; EDAX; XRD. 1. Introduction. NbTe2 is a member of transition metal dichalcogenides group, which possesses layered structure. The TMDC group attracted many research workers on account of the inter- esting properties of the compounds of this family (Dimi- gen et al ...

  16. Structural perfection and residual electric resistance of tungsten single crystals

    International Nuclear Information System (INIS)

    Tagirova, D.M.; Dyakina, V.P.; Startsev, V.E.; Esin, V.O.

    1997-01-01

    A study was made into residual relative resistance (RRR) and structural perfection (SP) of tungsten single crystals, grown by electron beam zone melting using seeding crystals of several orientations, namely, , , , . The single crystals were of 99.98 and 99.9995 wt.% purity. The RRR value is found to depend on crystallographic orientation of an axis of crystal growth and to correlate with SP. Single crystals of different purity are differ in the nature of orientational dependences. It is shown that the correlation between RRR and SP of crystals is mainly due to conduction electron scattering by subgrain boundaries (internal size effect)

  17. The new single crystal diffractometer SC3

    Energy Technology Data Exchange (ETDEWEB)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R. [Lab. for Neutron Scattering ETH Zurich, Zurich (Switzerland) and Paul Scherrer Institute, Villigen (Switzerland)

    1996-11-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H{sub 2}O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2{Theta}. each detector may be individually moved around a vertical circle (tilting angle {gamma}), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs.

  18. The new single crystal diffractometer SC3

    International Nuclear Information System (INIS)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R.

    1996-01-01

    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H 2 O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2Θ. each detector may be individually moved around a vertical circle (tilting angle γ), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs

  19. Electron-irradiation of oxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Caulfield, K.J.; Cooper, R.; Guy, L. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1996-12-31

    Full text: Point defects created in single crystals of CaO, MgO and {alpha}-Al{sub 2}O{sub 3} (sapphire) by electron-irradiation give rise to luminescence from colour centres. The luminescence may be used to monitor the formation of point defects by elastic collision processes. Such processes have great technological importance, in thermoluminescent dosimetry, the development of colour centre lasers, and particularly with the use of sapphire as a first-wall insulator in nuclear fusion reactors. Point defect formation is the initial process which can ultimately lead to dielectric breakdown. By controlling the energy of incident electrons irradiating single crystals, thresholds may be determined for atomic displacement. The time-dependent spectroscopy and decay kinetics of luminescence may also be studied. Displacement thresholds, luminescence spectroscopy and decay kinetics have been studied for CaO, MgO and {alpha}-Al{sub 2}O{sub 3}. Sapphire irradiated with 0.50 MeV electrons, exhibits a broad luminescence emission band around 300 nm at room temperature, which at temperatures below 60 K broadens into two distinct bands around 300 nm and 400 nm. Analysis of the logarithmic decay kinetics of the 300 nm band reveals distinctive features observed in similar oxides by other workers, namely a rapid decrease in intensity punctuated by discrete plateau regions. A model comprising bimolecular electron-hole recombination, in conjunction with unimolecular electron-detrapping, is able to account for these features. 4 refs.

  20. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Ammonium hydrogen d-tartrate (d-AHT) single crystals were grown in silica gel. The growth fea- tures of these crystals with variation of parameters like specific gravity of the gel, gel pH, acid concentrations, concentration of the feed solution and gel age were studied in detail. Keywords. d-AHT single crystals; growth features ...

  1. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Science.gov (United States)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia

    2016-10-01

    Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

  2. Functionalization of protein crystals with metal ions, complexes and nanoparticles.

    Science.gov (United States)

    Abe, Satoshi; Maity, Basudev; Ueno, Takafumi

    2018-04-01

    Self-assembled proteins have specific functions in biology. With inspiration provided by natural protein systems, several artificial protein assemblies have been constructed via site-specific mutations or metal coordination, which have important applications in catalysis, material and bio-supramolecular chemistry. Similar to natural protein assemblies, protein crystals have been recognized as protein assemblies formed of densely-packed monomeric proteins. Protein crystals can be functionalized with metal ions, metal complexes or nanoparticles via soaking, co-crystallization, creating new metal binding sites by site-specific mutations. The field of protein crystal engineering with metal coordination is relatively new and has gained considerable attention for developing solid biomaterials as well as structural investigations of enzymatic reactions, growth of nanoparticles and catalysis. This review highlights recent and significant research on functionalization of protein crystals with metal coordination and future prospects. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

    DEFF Research Database (Denmark)

    Touborg, P.; Høg, J.

    1974-01-01

    Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solut....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

  4. Strength anomaly in B2 FeAl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School

    1994-12-31

    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  5. Acquisition of Single Crystal Growth and Characterization Equipment. Final report

    International Nuclear Information System (INIS)

    Maple, M. Brian; Zocco, Diego A.

    2008-01-01

    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and scattering

  6. Acquisition of Single Crystal Growth and Characterization Equipment

    Energy Technology Data Exchange (ETDEWEB)

    Maple, M. Brian; Zocco, Diego A.

    2008-12-09

    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and

  7. The Role of Surface Tension in the Crystallization of Metal Halide Perovskites

    KAUST Repository

    Zhumekenov, Ayan A.

    2017-07-06

    The exciting intrinsic properties discovered in single crystals of metal halide perovskites still await their translation into optoelectronic devices. The poor understanding and control of the crystallization process of these materials are current bottlenecks retarding the shift towards single crystal-based optoelectronics. Here we theoretically and experimentally elucidate the role of surface tension in the rapid synthesis of perovskite single crystals by inverse temperature crystallization (ITC). Understanding the nucleation and growth mechanisms enabled us to exploit surface tension to direct the growth of monocrystalline films of perovskites (AMX3, where A = CH3NH3+ or MA; M = Pb2+, Sn2+; X = Br-, I-) on the solution surface. We achieve up to 1 cm2-sized monocrystalline films with thickness on the order of the charge carrier diffusion length (~5-10 µm). Our work paves the way to control the crystallization process of perovskites, including thin film deposition, which is essential to advance the performance benchmarks of perovskite optoelectronics.

  8. Solid state single crystal growth of three-dimensional faceted LaFeAsO crystals

    Science.gov (United States)

    Kappenberger, Rhea; Aswartham, Saicharan; Scaravaggi, Francesco; Blum, Christian G. F.; Sturza, Mihai I.; Wolter, Anja U. B.; Wurmehl, Sabine; Büchner, Bernd

    2018-02-01

    Solid state single crystal growth (SSCG) is a crystal growth technique where crystals are grown from a polycrystalline matrix. Here, we present single crystals of the iron pnictide LaFeAsO grown via SSCG using NaAs as a liquid phase to aid crystallization. The size of the as-grown crystals are up to 2 × 3 × 0.4 mm3. Typical for this method, but very uncommon for crystals of the pnictide superconductors and especially for the oxypnictides, the crystals show pronounced facets caused by considerable growth in c direction. The crystals were characterized regarding their composition, structure, magnetic, and thermodynamic properties. This sets the stage for further measurements for which single crystals are crucial such as any c axis and reciprocal space dependent measurements.

  9. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

  10. Conduction in ion implanted single crystal diamond

    International Nuclear Information System (INIS)

    Hunn, J.D.; Parikh, N.R.; Swanson, M.L.

    1992-01-01

    We have implanted sodium, phosphorus and arsenic into single crystal type IIa diamond as possible n-type dopants. Particular emphasis was applied to the implantation of sodium at different temperatures and doses; combined implantation energies of 55,80 and 120 keV were used to provide a uniformly doped layer over approximately 100 nm depth. The implanted layers exhibited semiconducting behavior with a single exponential activation energy between 0.40 and 0.48 eV, as determined by temperature dependent resistance measurements. A sample implanted to a concentration of 5.10 19 Na + /cm 3 at 550 degrees C exhibited a single activation energy of 0.415 eV over a temperature range from 25 to 500 degrees C. Thermal annealing above 900 degrees C was found to remove implantation damage as measured by optical absorption and RBS/channeling. However, concomitant increases in the resistance and the activation energy were observed. Implantation of 22 Ne was used to introduce a damage density equivalent to the 23 Na implant, while not introducing an electrically active species. The activation energy and electrical resistance were similar but higher than those produced by implantation with sodium. We conclude that the electrical properties of the Na-implanted samples were at least partly due to electrically active Na, but that residual implantation damage was still important

  11. Photoluminescent properties of single crystal diamond microneedles

    Science.gov (United States)

    Malykhin, Sergey A.; Ismagilov, Rinat R.; Tuyakova, Feruza T.; Obraztsova, Ekaterina A.; Fedotov, Pavel V.; Ermakova, Anna; Siyushev, Petr; Katamadze, Konstantin G.; Jelezko, Fedor; Rakovich, Yury P.; Obraztsov, Alexander N.

    2018-01-01

    Single crystal needle-like diamonds shaped as rectangular pyramids were produced by combination of chemical vapor deposition and selective oxidation with dimensions and geometrical characteristics depending on the deposition process parameters. Photoluminescence spectra and their dependencies on wavelength of excitation radiation reveal presence of nitrogen- and silicon-vacancy color centers in the diamond crystallites. Photoluminescence spectra, intensity mapping, and fluorescence lifetime imaging microscopy indicate that silicon-vacancy centers are concentrated at the crystallites apex while nitrogen-vacancy centers are distributed over the whole crystallite. Dependence of the photoluminescence on excitation radiation intensity demonstrates saturation and allows estimation of the color centers density. The combination of structural parameters, geometry and photoluminescent characteristics are prospective for advantageous applications of these diamond crystallites in quantum information processing and optical sensing.

  12. Development of novel growth methods for halide single crystals

    Science.gov (United States)

    Yokota, Yuui; Kurosawa, Shunsuke; Shoji, Yasuhiro; Ohashi, Yuji; Kamada, Kei; Yoshikawa, Akira

    2017-03-01

    We developed novel growth methods for halide scintillator single crystals with hygroscopic nature, Halide micro-pulling-down [H-μ-PD] method and Halide Vertical Bridgman [H-VB] method. The H-μ-PD method with a removable chamber system can grow a single crystal of halide scintillator material with hygroscopicity at faster growth rate than the conventional methods. On the other hand, the H-VB method can grow a large bulk single crystal of halide scintillator without a quartz ampule. CeCl3, LaBr3, Ce:LaBr3 and Eu:SrI2 fiber single crystals could be grown by the H-μ-PD method and Eu:SrI2 bulk single crystals of 1 and 1.5 inch in diameter could be grown by the H-VB method. The grown fiber and bulk single crystals showed comparable scintillation properties to the previous reports using the conventional methods.

  13. Development of n- and p-type Doped Perovskite Single Crystals Using Solid-State Single Crystal Growth (SSCG) Technique

    Science.gov (United States)

    2017-10-09

    tried. Among them “n- and p-type doped” BaTiO3 single crystals have been successfully fabricated . And their bi- crystals containing a twin or twist...boundary are also fabricated using diffusion bonding process of two single crystal plates. These results demonstrate that the SSCG (solid-state...or Bridgman method have critical limitations; high production cost and compositional inhomogeneity throughout the crystal. These limitations result

  14. The tensile effect on crack formation in single crystal silicon irradiated by intense pulsed ion beam

    Science.gov (United States)

    Liang, Guoying; Shen, Jie; Zhang, Jie; Zhong, Haowen; Cui, Xiaojun; Yan, Sha; Zhang, Xiaofu; Yu, Xiao; Le, Xiaoyun

    2017-10-01

    Improving antifatigue performance of silicon substrate is very important for the development of semiconductor industry. The cracking behavior of silicon under intense pulsed ion beam irradiation was studied by numerical simulation in order to understand the mechanism of induced surface peeling observed by experimental means. Using molecular dynamics simulation based on Stillinger Weber potential, tensile effect on crack growth and propagation in single crystal silicon was investigated. Simulation results reveal that stress-strain curves of single crystal silicon at a constant strain rate can be divided into three stages, which are not similar to metal stress-strain curves; different tensile load velocities induce difference of single silicon crack formation speed; the layered stress results in crack formation in single crystal silicon. It is concluded that the crack growth and propagation is more sensitive to strain rate, tensile load velocity, stress distribution in single crystal silicon.

  15. Alkali metal ion templated transition metal formate framework materials: synthesis, crystal structures, ion migration, and magnetism.

    Science.gov (United States)

    Eikeland, Espen; Lock, Nina; Filsø, Mette; Stingaciu, Marian; Shen, Yanbin; Overgaard, Jacob; Iversen, Bo Brummerstedt

    2014-10-06

    Four transition metal formate coordination polymers with anionic frameworks, namely, Na[Mn(HCOO)3], K[Mn(HCOO)3], Na2[Cu3(HCOO)8], and K2[Cu5(HCOO)12], were synthesized using a mild solution chemistry approach. Multitemperature single-crystal (100-300 K) and powder X-ray diffraction studies of the compounds reveal structures of large diversity ranging from cubic chiral Na-Mn formate to triclinic Na-Cu formate. The structural variety is caused by the nature of the transition metals, the alkali metal ion templation, and the versatility of the formate group, which offers metal-metal coordination through three different O-C-O bridging modes (syn-syn, syn-anti, anti-anti) in addition to metal-metal bridging via a single oxygen atom. The two manganese(II) compounds contain mononuclear, octahedrally coordinated moieties, but the three-dimensional connectivity between the manganese octahedra is very different in the two structures. The two copper frameworks, in contrast, consist of binuclear and mononuclear moieties (Na-Cu formate) and trinuclear and mononuclear moieties (K-Cu formate), respectively. Procrystal electron density analysis of the compounds indicates one-dimensional K(+)-ion conductivity in K-Mn and K-Cu, and the nature of the proposed potassium ion migration is compared with results from similar analysis on known Na(+) and K(+) ion conductors. K-Mn and Na-Mn were tested as cathode materials, but this resulted in poor reversibility due to low conductivity or structural collapse. The magnetic properties of the compounds were studied by vibrating sample magnetometric measurements, and their thermal stabilities were determined by thermogravimetric analysis and differential thermal analysis. Despite structural differences, the metal formates that contain the same transition metal have similar magnetic properties and thermal decomposition pathways, that is, the nature of the transition metal controls the compound properties.

  16. Ultratough CVD single crystal diamond and three dimensional growth thereof

    Science.gov (United States)

    Hemley, Russell J [Washington, DC; Mao, Ho-kwang [Washington, DC; Yan, Chih-shiue [Washington, DC

    2009-09-29

    The invention relates to a single-crystal diamond grown by microwave plasma chemical vapor deposition that has a toughness of at least about 30 MPa m.sup.1/2. The invention also relates to a method of producing a single-crystal diamond with a toughness of at least about 30 MPa m.sup.1/2. The invention further relates to a process for producing a single crystal CVD diamond in three dimensions on a single crystal diamond substrate.

  17. Composite single crystal silicon scan mirror substrates, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Single crystal silicon is a desirable mirror substrate for scan mirrors in space telescopes. As diameters of mirrors become larger, existing manufacturing...

  18. Unexpected metal-insulator transition in thick Ca1-xSrxVO3 film on SrTiO3 (100) single crystal

    Science.gov (United States)

    Takayanagi, Makoto; Tsuchiya, Takashi; Namiki, Wataru; Ueda, Shigenori; Minohara, Makoto; Horiba, Koji; Kumigashira, Hiroshi; Terabe, Kazuya; Higuchi, Tohru

    2018-03-01

    Epitaxial Ca1-xSrxVO3 (0 ≦ x ≦ 1) thin films were grown on (100)-oriented SrTiO3 substrates by using the pulsed laser deposition technique. In contrast to the previous report that metal-insulator transition (MIT) in Ca1-xSrxVO3 (CSVO) was achieved only for extremely thin films (several nm thick), MIT was observed at 39, 72, and 113 K for films with a thickness of 50 nm. The electronic structure was investigated by hard and soft X-ray photoemission spectroscopy (HX-PES and SX-PES). The difference between these PES results was significant due to the variation in an escape depth of photoelectrons of PES. While HX-PES showed that the V 2p3/2 spectra consisted of four peaks (V5+, V4+, V3+, and V2+/1+), SX-PES showed only three peaks (V5+, V4+, and V3+). This difference can be caused by a strain from the substrate, which leads to the chemical disorder (V5+, V4+, V3+, and V2+/1+). The thin film near the substrate is affected by the strain. The positive magnetoresistance is attributed to the effect of electron-electron interactions in the disorder system. Therefore, the emergence of MIT can be explained by the electron-electron interactions from the chemical disorder due to the strain.

  19. Growth of Ce-Doped LSO Single Crystals by Stockbarger-Bridgman Modified Crystallization Method

    International Nuclear Information System (INIS)

    Namtalishvili, M.; Sanadze, T.; Basharuli, N.; Magalashvili, P.; Mikaberidze, A.; Razmadze, Z.; Gabeskiria, M.

    2006-01-01

    The modified Stockbarger-Bridgman method was suggested for the growth of optically perfect LSO:Ce single crystals. Our investigations have shown that the most perfect crystals are grown by by the horizontally directed crystallization. In this case the elements of directional crystallyzation are combined with the zone melting. Crystallization is carried out in the conditions of sufficiently developed mirror of meltin. As a result in this case the chemical purity of grown crystals increases. (author)

  20. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    Abstract. To make headway on any problem in physics, high-quality single crystals are required. In this talk, special emphasis will be placed on the crystal growth of various oxides (superconductors and magnetic materials), borides and carbides using the image furnaces at Warwick. The floating zone method of crystal ...

  1. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    To make headway on any problem in physics, high-quality single crystals are required. In this talk, special emphasis will be placed on the crystal growth of various oxides (superconductors and magnetic materials), borides and carbides using the image furnaces at Warwick. The floating zone method of crystal growth used in ...

  2. Methods for producing single crystal mixed halide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Kai; Zhao, Yixin

    2017-07-11

    An aspect of the present invention is a method that includes contacting a metal halide and a first alkylammonium halide in a solvent to form a solution and maintaining the solution at a first temperature, resulting in the formation of at least one alkylammonium halide perovskite crystal, where the metal halide includes a first halogen and a metal, the first alkylammonium halide includes the first halogen, the at least one alkylammonium halide perovskite crystal includes the metal and the first halogen, and the first temperature is above about 21.degree. C.

  3. Polytypism of Pb-doped single crystals of cadmium iodide

    International Nuclear Information System (INIS)

    Tyagi, U.P.; Trigunayat, G.C.

    1986-01-01

    The zone refining technique has been used both for the purification of cadmium iodide and for the growth of lead-doped single crystals of cadmium iodide. The as-grown crystals when studied by X-ray diffraction show exclusive presence of the most common polytype 4H. The hexagonal plate-shaped crystals of the doped material, grown from aqueous solution, shown polytypism, but of a different nature than the crystals of pure cadmium iodide. The results have been discussed. (author)

  4. Growth and Characterization on PMN-PT-Based Single Crystals

    Directory of Open Access Journals (Sweden)

    Jian Tian

    2014-07-01

    Full Text Available Lead magnesium niobate—lead titanate (PMN-PT single crystals have been successfully commercialized in medical ultrasound imaging. The superior properties of PMN-PT crystals over the legacy piezoelectric ceramics lead zirconate titanate (PZT enabled ultrasound transducers with enhanced imaging (broad bandwidth and improved sensitivity. To obtain high quality and relatively low cost single crystals for commercial production, PMN-PT single crystals were grown with modified Bridgman method, by which crystals were grown directly from stoichiometric melt without flux. For ultrasound imaging application, [001] crystal growth is essential to provide uniform composition and property within a crystal plate, which is critical for transducer performance. In addition, improvement in crystal growth technique is under development with the goals of improving the composition homogeneity along crystal growth direction and reducing unit cost of crystals. In recent years, PIN-PMN-PT single crystals have been developed with higher de-poling temperature and coercive field to provide improved thermal and electrical stability for transducer application.

  5. Oxygen diffusion in single crystal barium titanate.

    Science.gov (United States)

    Kessel, Markus; De Souza, Roger A; Martin, Manfred

    2015-05-21

    Oxygen diffusion in cubic, nominally undoped, (100) oriented BaTiO3 single crystals has been studied by means of (18)O2/(16)O2 isotope exchange annealing and subsequent determination of the isotope profiles in the solid by time-of-flight secondary ion mass spectrometry (ToF-SIMS). Experiments were carried out as a function of temperature 973 < T/K < 1173, at an oxygen activity of aO2 = 0.200, and as a function of oxygen activity 0.009 < aO2 < 0.900 at T = 1073 K. The oxygen isotope profiles comprise two parts: slow diffusion through a space-charge zone at the surface depleted of oxygen vacancies followed by faster diffusion in a homogeneous bulk phase. The entire isotope profile can be described by a single solution to the diffusion equation involving only three fitting parameters: the surface exchange coefficient ks*, the space-charge potential Φ0 and the bulk diffusion coefficient D*(∞). Analysis of the temperature and oxygen activity dependencies of D*(∞) and Φ0 yields a consistent picture of both the bulk and the interfacial defect chemistry of BaTiO3. Values of the oxygen vacancy diffusion coefficient DV extracted from measured D*(∞) data are compared with literature data; consequently a global expression for the vacancy diffusivity in BaTiO3 for the temperature range 466 < T/K < 1273 is obtained, with an activation enthalpy of vacancy migration, ΔHmig,V = (0.70 ± 0.04) eV.

  6. Czochralski method of growing single crystals. State-of-art

    International Nuclear Information System (INIS)

    Bukowski, A.; Zabierowski, P.

    1999-01-01

    Modern Czochralski method of single crystal growing has been described. The example of Czochralski process is given. The advantages that caused the rapid progress of the method have been presented. The method limitations that motivated the further research and new solutions are also presented. As the example two different ways of the technique development has been described: silicon single crystals growth in the magnetic field; continuous liquid feed of silicon crystals growth. (author)

  7. Quantum nernst effect in a bismuth single crystal

    International Nuclear Information System (INIS)

    Matsuo, M.; Endo, A.; Hatano, N.; Nakamura, H.; Shirasaki, R.; Sugihara, K.

    2009-07-01

    We calculate the phonon-drag contribution to the transverse (Nernst) thermoelectric power S yx in a bismuth single crystal subjected to a quantizing magnetic field. The calculated heights of the Nernst peaks originating from the hole Landau levels and their temperature dependence reproduce the right order of magnitude for those of the pronounced magneto-oscillations recently reported by Behnia et al. A striking experimental finding that S yx is much larger than the longitudinal (Seebeck) thermoelectric power S xx can be naturally explained as the effect of the phonon drag, combined with the well-known relation between the longitudinal and the Hall resistivity ρ xx >> |ρ yx | in a semi-metal bismuth. The calculation that includes the contribution of both holes and electrons suggests that some of the hitherto unexplained minor peaks located roughly at the fractional filling of the hole Landau levels are attributable to the electron Landau levels. (author)

  8. Standard test method for determining the orientation of a metal crystal

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2009-01-01

    1.1 This test method covers the back-reflection Laue procedure for determining the orientation of a metal crystal. The back-reflection Laue method for determining crystal orientation (1, 2) may be applied to macrograins (3) (0.5-mm diameter or larger) within polycrystalline aggregates, as well as to single crystals of any size. The method is described with reference to cubic crystals; it can be applied equally well to hexagonal, tetragonal, or orthorhombic crystals. 1.2 Most natural crystals have well developed external faces, and the orientation of such crystals can usually be determined from inspection. The orientation of a crystal having poorly developed faces, or no faces at all (for example, a metal crystal prepared in the laboratory) must be determined by more elaborate methods. The most convenient and accurate of these involves the use of X-ray diffraction. The “orientation of a metal crystal” is known when the positions in space of the crystallographic axes of the unit cell have been located with...

  9. Reshock and release response of aluminum single crystal

    International Nuclear Information System (INIS)

    Huang, H.; Asay, J. R.

    2007-01-01

    Reshock and release experiments were performed on single crystal aluminum along three orientations and on polycrystalline 1050 aluminum with 50 μm grain size at shock stresses of 13 and 21 GPa to investigate the mechanisms for previously observed quasielastic recompression behavior. Particle velocity profiles obtained during reshocking both single crystals and polycrystalline aluminum from initial shock stresses of 13-21 GPa show similar quasielastic recompression behavior. Quasielastic release response is also observed in all single crystals, but the magnitude of the effect is crystal orientation dependent, with [111] and [110] exhibiting more ideal elastic-plastic release for unloading from the shocked state than for the [100] orientation and polycrystalline aluminum. The quasielastic response of 1050 aluminum is intermediate to that of the [100] and [111] orientations. Comparison of the wave profiles obtained for both unloading and reloading of single crystals and polycrystalline 1050 aluminum from shocked states suggests that the observed quasielastic response of polycrystalline aluminum results from the averaging response of single crystals for shock propagation along different orientations, and that the response of 1050 aluminum with large grain boundaries is not significantly different from the results obtained on single crystal aluminum. The yield strength of the single crystals and 1050 aluminum is found to increase with shock stress, which is consistent with previous results [H. Huang and I. R. Asay, J. Appl. Phys. 98, 033524 (2005)

  10. Effects of orientation on the rolling and recrystallization behavior of tantalum single crystals

    International Nuclear Information System (INIS)

    Snyder, W.B. Jr.

    1976-12-01

    Some deformed single crystals are more difficult to recrystallize than others. Tantalum single crystals were rolled unidirectionally at room temperature to a thickness reduction of 80 percent. Optical and electron metallography, X-ray line broadening and pole figure analyses, and microhardness testing were used to study the deformed, recovered, and recrystallized structures of these crystals. Crystal stability, reorientation, and deformation banding was interpreted in terms of the Taylor theory of plasticity as applied to pencil glide in body-centered-cubic metals. Experimental results were in partial agreement with the theory. Nucleation of recrystallization was found to occur by the polygonization and growth of dislocation cells originally present in the deformed structure. Impingement of these growing nuclei resulted in a fully recrystallized structure whose orientations were present in the deformed crystal

  11. A single crystal neutron diffraction study on mixed crystal (K)0.25 ...

    Indian Academy of Sciences (India)

    41

    environment affects the hydrogen bonding is very important from the point of view of improving the ... obtained from single crystal diffraction data gives a time as well as space average picture of the crystal. 1. 2. 3. 4. 5. 6 ... KDPX(ADP)1-X mixed crystals are obtained from the aqueous solutions containing AR grade KDP and.

  12. Particularities of the recombination electron emission of single crystals of tungsten and niobium

    International Nuclear Information System (INIS)

    Mashtakova, V.A.; Shishkin, B.B.

    1984-01-01

    The volt-ampere characteristics (vac) of vacuum diodes with metal single cr ystal electrodes are measured. Studied were: crystallographic plane (100) of a tungsten single crystal and (110) face of a niobium single crystal. Anomalies o n the initial portions of the vac of diodes with niobium ((110) face) electrodes are discovered. Anomalies appear at cathode temperatures t exceeding characteri stic thermoionic temperatures thetasub(the). The ''steps'' on the vac at t >thetasub(the) for tungsten are considered as voltage jumps. The ''steps'' on th e vac for niobium are considered as diode current jumps due to fluctuation processes resulting in the formation of small amount of slow electrons

  13. Growth of L-Valinium Aluminium Chloride single crystal for OLED and super-capacitor applications

    Science.gov (United States)

    Kalaivani, D.; Vijayalakshmi, S.; Theras, J. Elberin Mary; Jayaraman, D.; Joseph, V.

    2015-12-01

    L-Valinium Aluminium Chloride (LVAC), a novel semi-organic material, was grown using slow evaporation under isothermal condition. The single crystal data reveal that the grown crystal belongs to monoclinic system. The SEM micrographs give clear picture about the surface morphology. Further, they confirm the inclusion of aluminium chloride into atomic sites of L-Valine. The compositional elements present in the crystal were identified through EDAX analysis. The mass spectral analysis was carried out to determine the molecular weight of the grown crystal. The optical transparency of the grown crystal was investigated by UV-vis-NIR spectrum. FTIR spectral study was used to identify the functional groups present in the grown material. The luminescence characteristics of grown material were analysed to confirm the effect of metal ion on the ligand. This property makes the material suitable for OLED application. The supercapacitive performance of the grown crystal was finally studied using cyclic voltammetry.

  14. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)

    Unknown

    nuclear fuel container technology (Fullam 1972). While there is an enormous amount of work on the crystal growth of alkali halides with NaCl structure, work ..... Grateful thanks are due to D E Schuele, Michelson. Professor, Case Western Reserve University, for keeping the expensive CsBr and CsI crystals at our disposal.

  15. Unidirectional seeded single crystal growth from solution of benzophenone

    Science.gov (United States)

    Sankaranarayanan, K.; Ramasamy, P.

    2005-07-01

    A novel crystal growth method has been established for the growth of single crystal with selective orientation at room temperature. Using volatile solvent, the saturated solution containing the material to be crystallized was taken in an ampoule and allowed to crystallize by slow solvent evaporation assisted with a ring heater. The orientation of the growing crystal was imposed by means of a seed fixed at the bottom of the ampoule. By selecting a suitable ring heater voltage and by controlling the ring heater voltage, nucleation and the growth rate of the crystal were controlled more effectively. By employing this novel method, benzophenone single crystal ingots of diameters 10 and 20 mm and length more than 50 mm were successfully grown using xylene as solvent. The ease in scaling up of diameter from 10 to 20 mm shows the vital advantage of this technique. It was possible to achieve solute-crystal conversion efficiency of 100 percent. The grown benzophenone crystal was characterized by FTIR, TG and DTA, powder X-ray diffraction, X-ray rocking curve, optical transmission study and powder SHG measurement. The results show that the crystal quality is at least as good as the quality of the crystal grown by other known methods. Also, microbial growth was naturally avoided in this method, as the fresh solution is constantly made available for the growing crystal.

  16. High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization

    KAUST Repository

    Saidaminov, Makhsud I.

    2015-07-06

    Single crystals of methylammonium lead trihalide perovskites (MAPbX3; MA=CH3NH3+, X=Br− or I−) have shown remarkably low trap density and charge transport properties; however, growth of such high-quality semiconductors is a time-consuming process. Here we present a rapid crystal growth process to obtain MAPbX3 single crystals, an order of magnitude faster than previous reports. The process is based on our observation of the substantial decrease of MAPbX3 solubility, in certain solvents, at elevated temperatures. The crystals can be both size- and shape-controlled by manipulating the different crystallization parameters. Despite the rapidity of the method, the grown crystals exhibit transport properties and trap densities comparable to the highest quality MAPbX3 reported to date. The phenomenon of inverse or retrograde solubility and its correlated inverse temperature crystallization strategy present a major step forward for advancing the field on perovskite crystallization.

  17. Excitonic polaritons of zinc diarsenide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Syrbu, N.N., E-mail: sirbunn@yahoo.com [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Stamov, I.G. [T.G. Shevchenko State University of Pridnestrovie, Tiraspol, Republic of Moldova (Moldova, Republic of); Zalamai, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Dorogan, A. [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)

    2017-02-01

    Excitonic polaritons of ZnAs{sub 2} single crystals had been investigated. Parameters of singlet excitons with Г{sub 2}¯(z) symmetry and orthoexcitons 2Г{sub 1}¯(y)+Г{sub 2}¯(x) had been determined. Spectral dependencies of ordinary and extraordinary dispersion of refractive index had been calculated using interferential reflection and transmittance spectra. It was shown, that A excitonic series were due to hole (V{sub 1}) and electron (C{sub 1}) bands. The values of effective masses of electrons (m{sub c}{sup *}=0.10 m{sub 0}) and holes (m{sub v1}{sup *}=0.89 m{sub 0}) had been estimated. It was revealed that the hole mass m{sub v1}{sup *} changes from 1.03 m{sub 0} to 0.55 m{sub 0} at temperature increasing from 10 K up to 230 K and that the electron mass m{sub c}{sup *} does not depend on temperature. The integral absorption A (eV cm{sup −1}) of the states n=1, 2 and 3 of Г{sub 2}¯(z) excitons depends on the A{sub n}≈n{sup −3} equality, which it is characteristic for S-type excitonic functions. Temperature dependences of the integral absorption of ground states for Г{sub 2}¯(z) and Г{sub 2}¯(Ñ…) excitons differ. The ground states of B and C excitons formed by V{sub 3} – C{sub 1} and V{sub 4} – C{sub 1} bands and its parameters had been determined.

  18. Prospects for the synthesis of large single-crystal diamonds

    International Nuclear Information System (INIS)

    Khmelnitskiy, R A

    2015-01-01

    The unique properties of diamond have stimulated the study of and search for its applications in many fields, including optics, optoelectronics, electronics, biology, and electrochemistry. Whereas chemical vapor deposition allows the growth of polycrystalline diamond plates more than 200 mm in diameter, most current diamond application technologies require large-size (25 mm and more) single-crystal diamond substrates or films suitable for the photolithography process. This is quite a challenge, because the largest diamond crystals currently available are 10 mm or less in size. This review examines three promising approaches to fabricating large-size diamond single crystals: growing large-size single crystals, the deposition of heteroepitaxial diamond films on single-crystal substrates, and the preparation of composite diamond substrates. (reviews of topical problems)

  19. Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

    NARCIS (Netherlands)

    De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

    2005-01-01

    We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

  20. Method for harvesting rare earth barium copper oxide single crystals

    Science.gov (United States)

    Todt, Volker R.; Sengupta, Suvankar; Shi, Donglu

    1996-01-01

    A method of preparing high temperature superconductor single crystals. The method of preparation involves preparing precursor materials of a particular composition, heating the precursor material to achieve a peritectic mixture of peritectic liquid and crystals of the high temperature superconductor, cooling the peritectic mixture to quench directly the mixture on a porous, wettable inert substrate to wick off the peritectic liquid, leaving single crystals of the high temperature superconductor on the porous substrate. Alternatively, the peritectic mixture can be cooled to a solid mass and reheated on a porous, inert substrate to melt the matrix of peritectic fluid while leaving the crystals melted, allowing the wicking away of the peritectic liquid.

  1. Single crystalline metal films as substrates for graphene growth

    Energy Technology Data Exchange (ETDEWEB)

    Zeller, Patrick; Henss, Ann-Kathrin; Wintterlin, Joost [Department Chemie, Ludwig-Maximilians-Universitaet Muenchen (Germany); Weinl, Michael; Schreck, Matthias [Institut fuer Physik, Universitaet Augsburg (Germany); Speck, Florian; Ostler, Markus [Lehrstuhl fuer Technische Physik, Universitaet Erlangen-Nuernberg, Erlangen (Germany); Institut fuer Physik, Technische Universitaet Chemnitz (Germany); Seyller, Thomas [Institut fuer Physik, Technische Universitaet Chemnitz (Germany)

    2017-11-15

    Single crystalline metal films deposited on YSZ-buffered Si(111) wafers were investigated with respect to their suitability as substrates for epitaxial graphene. Graphene was grown by CVD of ethylene on Ru(0001), Ir(111), and Ni(111) films in UHV. For analysis a variety of surface science methods were used. By an initial annealing step the surface quality of the films was strongly improved. The temperature treatments of the metal films caused a pattern of slip lines, formed by thermal stress in the films, which, however, did not affect the graphene quality and even prevented wrinkle formation. Graphene was successfully grown on all three types of metal films in a quality comparable to graphene grown on bulk single crystals of the same metals. In the case of the Ni(111) films the originally obtained domain structure of rotational graphene phases could be transformed into a single domain by annealing. This healing process is based on the control of the equilibrium between graphene and dissolved carbon in the film. For the system graphene/Ni(111) the metal, after graphene growth, could be removed from underneath the epitaxial graphene layer by a pure gas phase reaction, using the reaction of CO with Ni to give gaseous Ni(CO){sub 4}. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. A discrete dislocation dynamics model of creeping single crystals

    Science.gov (United States)

    Rajaguru, M.; Keralavarma, S. M.

    2018-04-01

    Failure by creep is a design limiting issue for metallic materials used in several high temperature applications. Current theoretical models of creep are phenomenological with little connection to the underlying microscopic mechanisms. In this paper, a bottom-up simulation framework based on the discrete dislocation dynamics method is presented for dislocation creep aided by the diffusion of vacancies, known to be the rate controlling mechanism at high temperature and stress levels. The time evolution of the creep strain and the dislocation microstructure in a periodic unit cell of a nominally infinite single crystal is simulated using the kinetic Monte Carlo method, together with approximate constitutive laws formulated for the rates of thermal activation of dislocations over local pinning obstacles. The deformation of the crystal due to dislocation glide between individual thermal activation events is simulated using a standard dislocation dynamics algorithm, extended to account for constant stress periodic boundary conditions. Steady state creep conditions are obtained in the simulations with the predicted creep rates as a function of stress and temperature in good agreement with experimentally reported values. Arrhenius scaling of the creep rates as a function of temperature and power-law scaling with the applied stress are also reproduced, with the values of the power-law exponents in the high stress regime in good agreement with experiments.

  3. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

    Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.

    2018-04-01

    Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.

  4. Metallic Crystal Defects and Irregular Geometries

    Data.gov (United States)

    National Aeronautics and Space Administration — Modern crystal plasticity methods take advantage of dislocation dynamics simulations to accurately model material deformation in support of computational materials...

  5. "Predicting" Polymorphs of Pharmaceuticals Using Hydrogen Bond Propensities: Probenecid and Its Two Single-Crystal-to-Single-Crystal Phase Transitions.

    Science.gov (United States)

    Nauha, Elisa; Bernstein, Joel

    2015-06-01

    The recently developed hydrogen-bonding propensity tool in the Cambridge Structural Database software package (Mercury) was tested to predict polymorphs. The compounds for the study were chosen from a list of approximately 300 pharmaceutically important compounds, for which multiple crystal forms had not been previously reported. The hydrogen-bonding propensity analysis was carried out on approximately 60 randomly selected compounds from this list. Several compounds with a high probability for exhibiting polymorphism in the analysis were chosen for a limited experimental crystal form screening. One of the compounds, probenecid, did not yield polymorphs by traditional solution crystallization screening, but differential scanning calorimetry revealed three polymorphs. All of them exhibit the same hydrogen bonding and transform via two reversible single-crystal-to single-crystal transformations, which have been characterized in detail through three single-crystal structure determinations at appropriate temperatures. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  6. Hall Effect in Bulk-Doped Organic Single Crystals.

    Science.gov (United States)

    Ohashi, Chika; Izawa, Seiichiro; Shinmura, Yusuke; Kikuchi, Mitsuru; Watase, Seiji; Izaki, Masanobu; Naito, Hiroyoshi; Hiramoto, Masahiro

    2017-06-01

    The standard technique to separately and simultaneously determine the carrier concentration per unit volume (N, cm -3 ) and the mobility (μ) of doped inorganic single crystals is to measure the Hall effect. However, this technique has not been reported for bulk-doped organic single crystals. Here, the Hall effect in bulk-doped single-crystal organic semiconductors is measured. A key feature of this work is the ultraslow co-deposition technique, which reaches as low as 10 -9 nm s -1 and enables us to dope homoepitaxial organic single crystals with acceptors at extremely low concentrations of 1 ppm. Both the hole concentration per unit volume (N, cm -3 ) and the Hall mobility (μ H ) of bulk-doped rubrene single crystals, which have a band-like nature, are systematically observed. It is found that these rubrene single crystals have (i) a high ionization rate and (ii) scattering effects because of lattice disturbances, which are peculiar to this organic single crystal. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Single-crystal growth of ceria-based materials; Einkristallzuechtung von Materialien auf der Basis von Cerdioxid

    Energy Technology Data Exchange (ETDEWEB)

    Ulbrich, Gregor

    2015-07-23

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  8. Resistivity distribution of silicon single crystals using codoping

    Science.gov (United States)

    Wang, Jong Hoe

    2005-07-01

    Numerous studies including continuous Czochralski method and double crucible technique have been reported on the control of macroscopic axial resistivity distribution in bulk crystal growth. The simple codoping method for improving the productivity of silicon single-crystal growth by controlling axial specific resistivity distribution was proposed by Wang [Jpn. J. Appl. Phys. 43 (2004) 4079]. Wang [J. Crystal Growth 275 (2005) e73] demonstrated using numerical analysis and by experimental results that the axial specific resistivity distribution can be modified in melt growth of silicon crystals and relatively uniform profile is possible by B-P codoping method. In this work, the basic characteristic of 8 in silicon single crystal grown using codoping method is studied and whether proposed method has advantage for the silicon crystal growth is discussed.

  9. Metallic dielectric photonic crystals and methods of fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Jeffrey Brian; Kim, Sang-Gook

    2016-12-20

    A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.

  10. Metallic dielectric photonic crystals and methods of fabrication

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Jeffrey Brian; Kim, Sang-Gook

    2017-12-05

    A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.

  11. Zinc (tris) thiourea sulphate (ZTS): A single crystal neutron diffraction ...

    Indian Academy of Sciences (India)

    near IR laser radiations. In this study, the crystal structure of ZTS has been ob- tained in detail by single crystal neutron diffraction technique. Using the structural parameters and an existing formalism [1] based on the theory of bond polarizability, the contributions from each of the structural groups in the unit cell to the total.

  12. Photon Cascade from a Single Crystal Phase Nanowire Quantum Dot

    DEFF Research Database (Denmark)

    Bouwes Bavinck, Maaike; Jöns, Klaus D; Zieliński, Michal

    2016-01-01

    We report the first comprehensive experimental and theoretical study of the optical properties of single crystal phase quantum dots in InP nanowires. Crystal phase quantum dots are defined by a transition in the crystallographic lattice between zinc blende and wurtzite segments and therefore offe...

  13. Detection of anomalies in NLO sulphamic acid single crystals by ...

    Indian Academy of Sciences (India)

    The ultrasonic pulse echo overlap technique (PEO) has been used to measure the velocities of 10 MHz acoustic waves in sulphamic acid single crystals in the range of 300–400 K. This study evaluated all the elastic stiffnessconstants, compliance constants and Poisson's ratios of the crystal. The temperature variations of the ...

  14. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    menon, especially those involved in the gel technique. With an aim of controlling nucleation and improving the size, in the present study, we have grown pure calcium tartrate tetrahydrate single crystals using calcium formate mixed with formic acid as the supernatant solution. The grown crystals have been characterized by ...

  15. Ellipsometric studies of ErMnO3 single crystals

    DEFF Research Database (Denmark)

    Babonas, G.-J.; Grivel, Jean-Claude; Reza, A.

    2007-01-01

    Ellipsometric studies of ErMnO3 single crystals have been carried out in the spectral range of 1-5 eV by means of photometric ellipsometers. Experimental ellipsometric data were analysed in the uniaxial crystal model. For the first time, the components of dielectric function of ErMnO3 were...

  16. Single crystal neutron diffraction study of triglycine sulphate revisited

    Indian Academy of Sciences (India)

    atom positions in TGS crystals, neutron diffraction study on TGS was once again undertaken, since neutron diffraction is known to be the only method, which gives exact hydrogen atom position. 2. Experiment. A clear rectangular single crystal of TGS of dimension 3×3.5×3 mm was loaded on a goniometer, which was then ...

  17. Isothermal equation of state of a lithium fluoride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.Y.

    1975-01-01

    An isothermal equation of state of a LiF single crystal was determined from length change measurements of the specimen as a function of hydrostatic pressure up to approximately 7 kbars at 28 to 41/sup 0/C. The length change was measured with an accuracy of approximately 500 A by using a Fabry Perot type He--Ne laser interferometer for a 1-m long specimen at temperatures constant to less than 0.002/sup 0/C. Several two- and three-parameter equations of state were used in analyzing the measured pressure-volume data. The computer fit for each equation of state determines not only the value of its parameters but also the standard deviations associated with them and one dependent variable, either pressure or volume. With the parameters determined, the equations of state are extrapolated to approximately 5 megabars in order to see discrepancies. Using the Born model of ionic solids, two equations of state were derived both from a power law potential and from an exponential form for the repulsive energy of alkali metal halides and used to fit the pressure-volume data of a LiF single crystal. They are also extrapolated to approximately 5 megabars. The Birch's two-parameter equation and the Grover, Getting, and Kennedy equation are indistinguishable from the two equations of state derived from the Born model for pressures approximately equal to or less than 800 kbars within +-20 kbars. The above four equations of state also fit closely the Pagannone and Drickamer static compression data, the Christian shock wave data, and the Kormer et al. shock wave data. The isothermal bulk modulus and its first pressure derivative at atmospheric pressure and 28.83/sup 0/C are 664.5 +- 0.5 kbars and 5.40 +- 0.18, respectively, in close agreement with those values ultrasonically measured by R. A. Miller and C. S. Smith. (auth)

  18. Accumulation of heavy metals from single and mixed metal solutions ...

    African Journals Online (AJOL)

    The usefulness of the intertidal gastropod Tympanotonus fuscatus L as a biomonitor of heavy metals in tropical estuaries was assessed. The periwinkles were collected from a site in the upper Bonny Estuary, Southern Nigeria and exposed in a series of experiments either singly or binary mixtures to copper, zinc and ...

  19. Metallic Na formation in NaCl crystals with irradiation of electron or vacuum ultraviolet photon

    Energy Technology Data Exchange (ETDEWEB)

    Owaki, Shigehiro [Osaka Prefecture Univ., Sakai, Osaka (Japan). Coll. of Integrated Arts and Sciences; Koyama, Shigeko; Takahashi, Masao; Kamada, Masao; Suzuki, Ryouichi

    1997-03-01

    Metallic Na was formed in NaCl single crystals with irradiation of a variety of radiation sources and analyzed the physical states with several methods. In the case of irradiation of 21 MeV electron pulses to the crystal blocks, the optical absorption and lifetime measurement of positron annihilation indicated appearance of Na clusters inside. Radiation effects of electron beam of 30 keV to the crystals in vacuum showed the appearance of not only metallic Na but atomic one during irradiation with Auger electron spectroscopy. Intense photon fluxes in vacuum ultraviolet region of synchrotron radiation were used as another source and an analyzing method of ultraviolet photoelectron spectroscopy. The results showed the metallic Na layered so thick that bulk plasmon can exist. (author)

  20. Process for Forming a High Temperature Single Crystal Canted Spring

    Science.gov (United States)

    DeMange, Jeffrey J (Inventor); Ritzert, Frank J (Inventor); Nathal, Michael V (Inventor); Dunlap, Patrick H (Inventor); Steinetz, Bruce M (Inventor)

    2017-01-01

    A process for forming a high temperature single crystal canted spring is provided. In one embodiment, the process includes fabricating configurations of a rapid prototype spring to fabricate a sacrificial mold pattern to create a ceramic mold and casting a canted coiled spring to form at least one canted coil spring configuration based on the ceramic mold. The high temperature single crystal canted spring is formed from a nickel-based alloy containing rhenium using the at least one coil spring configuration.

  1. Dielectric behaviour of strontium tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    on second harmonic generation, crystal oscillators and rescuators, and devices to central laser emission are ... molecular structure of tartrate, monohydrotartrate and water indents. Since the data on dielectric properties .... Design of sample holder used for measurements. Evacuation of the holder is not required. 1. Sample ...

  2. Crystal growth and scintillation properties of Pr-doped SrI2 single crystals

    Science.gov (United States)

    Yokota, Yuui; Ito, Tomoki; Yoshino, Masao; Yamaji, Akihiro; Ohashi, Yuji; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2018-04-01

    Pr-doped SrI2 (Pr:SrI2) single crystals with various Pr concentrations were grown by the halide-micro-pulling-down (H-μ-PD) method, and the scintillation properties were investigated. Pr1%:SrI2 single crystal with high transparency could be grown by the H-μ-PD method while Pr2, 3 and 5%:SrI2 single crystals included some cracks and opaque parts. In the photoluminescence spectrum of the Pr1%:SrI2 single crystal, an emission peak originated from the Pr3+ ion was observed around 435 nm while the radioluminescence spectra showed an emission peak around 535 nm for the undoped SrI2 and Pr:SrI2 single crystals. Light yields of Pr1, 2, 3 and 5%:SrI2 single crystals under γ-ray irradiation were 7700, 8700, 7200 and 6700 photons/MeV, respectively. Decay times of Pr1 and 2%:SrI2 single crystals under γ-ray irradiation were 55.9 and 35.0 ns of the fast decay component, and 435 and 408 ns of the slow decay component, respectively.

  3. Single crystal growth and neutron study of Bi-2212 high temperature superconductor

    International Nuclear Information System (INIS)

    Gu, G.D.; Miles, P.A.; Russell, G. J.; Ivanov, A.; Koshizuka, N.; Kennedy, S.J.

    1999-01-01

    Full text: Many physical properties of the cuprate high temperature superconductors appear to defy the conventional (one-electron) theory of metals. The neutron diffraction and inelastic neutron scattering of the high T c single crystals can provides incisive information about collective magnetic excitations which is required to guide the development of new theories incorporating strong electron correlations. For lack of the suitably large single crystals, inelastic neutron scattering measurements have thus far proven possible for only two of the many families of high temperature superconductors, La 2-x Sr x CuO 4 and YBa 2 Cu 3 O x . While the magnetic pronounced differences that have hampered a unified description of the spin dynamics in the cuprates. In particular, a sharp resonant spin excitation dominates the spectrum in the superconducting state of YBa 2 Cu 3 0 x , but is not found in La 2-x Sr x CuO 4 . We have successfully grown large size Bi-2212 single crystals up to 10*5*1.2 mm 3 by floating zone method, and have studied neutron diffraction and neutron scattering in the single crystals. The Neutron diffraction of the single crystals shows that the crystals are high quality. Here we report the discovery of a magnetic resonance peak in the superconducting state of a third high temperature superconductor of Bi-2212 single crystal by modern neutron optics. The discovery provides evidence of the generality of this unusual phenomenon among the cuprates and greatly extends the empirical basis for its theoretical description. The magnetic resonance peak in Bi-2212 single crystals rules out the possibility or chemical parameters peculiar to YBCO superconductor. Rather, it is an intrinsic feature of the copper oxides whose explanation must be in an integral part of any theory of high temperature superconductivity

  4. Iron single crystal growth from a lithium-rich melt

    Science.gov (United States)

    Fix, M.; Schumann, H.; Jantz, S. G.; Breitner, F. A.; Leineweber, A.; Jesche, A.

    2018-03-01

    α -Fe single crystals of rhombic dodecahedral habit were grown from a Li84N12Fe∼3 melt. Crystals of several millimeter along a side form at temperatures around T ≈ 800 ° C. Upon further cooling the growth competes with the formation of Fe-doped Li3N. The b.c.c. structure and good sample quality of α -Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90 ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.

  5. A unified picture of the crystal structures of metals

    International Nuclear Information System (INIS)

    Soederlind, P.; Eriksson, O.; Johansson, B.; Wills, J.M.; Boring, A.M.

    1995-01-01

    The crystal structures of the light actinides have intrigued physicists and chemists for several decades. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry -tetragonal, orthorhombic and monoclinic. To understand these differences, we have have performed total-energy calculations, as a function of volume, for both high- and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression. (author)

  6. Raman spectra of deuteriated taurine single crystals

    Science.gov (United States)

    Souza, J. M. de; Lima, R. J. C.; Freire, P. T. C.; Sasaki, J. M.; Melo, F. E. A.; Filho, J. Mendes; Jones, Derry W.

    2005-05-01

    The polarized Raman spectra of partially deuteriated taurine [(ND 3+) 0.65(NH 3+) 0.35(CH 2) 2SO 3-] crystals from x( zz) x and x( zy) x scattering geometries of the A g and B g irreducible representations of the factor group C 2h are reported. The temperature-dependent Raman spectra of partially deuteriated taurine do not reveal any evidence of the structural phase transition undergone by normal taurine at about 250 K, but an anomaly observed in the 180 cm -1 band at ˜120 K implies a different dynamic for this band (which is involved in a pressure-induced phase transition) in the deuteriated crystal.

  7. Solid State Recrystallization of Single Crystal Ce:LSO Scintillator Crystals for High Resolution Detectors

    Science.gov (United States)

    2012-06-01

    Advances in our knowledge of scintillation and semiconductor materials, plastics , organics, glass, synthesized nano-crystal fabrics and fluids as...are few electron traps leading to non-radioactive transitions that quench the primary scintillation mechanisms. In addition the host lattice has a...TR-10-69 Solid State Recrystallization of Single Crystal Ce:LSO Scintillator Crystals for High Resolution Detectors Approved for public release

  8. Controlled growth of filamentary crystals and fabrication of single-crystal whisker probes

    International Nuclear Information System (INIS)

    Givargizov, E. I.

    2006-01-01

    The growth of filamentary crystals (whiskers) on a single-crystal substrate through the vapour-liquid-solid mechanism is described. The possibility of fabricating oriented systems of whiskers on the basis of this mechanism of crystal growth is noted. A phenomenon that is important for nanotechnology is noted: the existence of a critical diameter of whiskers, below which they are not formed. The phenomenon of radial periodic instability, which is characteristic of nanowhiskers, is described and the ways of its elimination are shown. The possibility of transforming whiskers into single-crystal tips and the growth of crystalline diamond particles at their apices are noted as important for practice. Possible applications of systems of whiskers and tips are described briefly. Particular attention is paid to the latest direction in whisker technology-fabrication of single-crystal whisker probes for atomic force microscopy

  9. Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

    International Nuclear Information System (INIS)

    Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

    2011-01-01

    Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

  10. Mesoporous Zeolite Single Crystals for Catalytic Hydrocarbon Conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, Claus H.; Kustova, Marina

    2005-01-01

    Recently, mesoporous zeolite single crystals were discovered. They constitute a novel family of materials that features a combined micropore and mesopore architecture within each individual crystal. Here, we briefly summarize recent catalytic results from cracking and isomerization of alkalies......, alkylation of aromatics and present new results on isomerization of aromatics. Specifically, the shape-selective isomerization of meta-xylenc into para-xylene and ortho-xylene is studied. In all these reactions, rnesoporous zeolite single crystals prove to be unique catalysts since they provide easy...... transport to and from active sites and at the same time maintain the shape-selectivity required. Thus, all these results support the idea that the beneficial effect of the mesopores system in the mesoporous zeolite single crystals call be solely attributed to enhanced mass transport....

  11. A single crystal neutron diffraction study on mixed crystal (K) 0. 25 ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 41; Issue 1. A single crystal neutron diffraction study on mixed crystal (K) 0.25 ( N H _4 ) _{0.75}H 2 PO 4 : tuning of short strong hydrogen bonds by ionic interactions. RAJUL RANJAN CHOUDHURY R CHITRA. Volume 41 Issue 1 February 2018 Article ID 8 ...

  12. Mesoscale martensitic transformation in single crystals of topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

    2017-09-05

    Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array, without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.

  13. Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

    Science.gov (United States)

    Wang, Zhiguo; Chen, Jiaxuan; Wang, Guilian; Bai, Qingshun; Liang, Yingchun

    2017-12-01

    The anisotropy exhibited by single-crystal silicon in nanometric cutting is very significant. In order to profoundly understand the effect of crystal anisotropy on cutting behaviors, a large-scale molecular dynamics model was conducted to simulate the nanometric cutting of single-crystal silicon in the (100)[0-10], (100)[0-1-1], (110)[-110], (110)[00-1], (111)[-101], and (111)[-12-1] crystal directions in this study. The simulation results show the variations of different degrees in chip, subsurface damage, cutting force, and friction coefficient with changes in crystal plane and crystal direction. Shear deformation is the formation mechanism of subsurface damage, and the direction and complexity it forms are the primary causes that result in the anisotropy of subsurface damage. Structurally, chips could be classified into completely amorphous ones and incompletely amorphous ones containing a few crystallites. The formation mechanism of the former is high-pressure phase transformation, while the latter is obtained under the combined action of high-pressure phase transformation and cleavage. Based on an analysis of the material removal mode, it can be found that compared with the other crystal direction on the same crystal plane, the (100)[0-10], (110)[-110], and (111)[-101] directions are more suitable for ductile cutting.

  14. Crystal conversion between metal-organic frameworks with different crystal topologies for efficient crystal design on two-dimensional substrates

    Science.gov (United States)

    Tsuruoka, Takaaki; Inoue, Kohei; Miyanaga, Ayumi; Tobiishi, Kaho; Ohhashi, Takashi; Hata, Manami; Takashima, Yohei; Akamatsu, Kensuke

    2018-04-01

    Crystal conversion of metal-organic frameworks (MOFs) between different crystal topologies on a polymer substrate has been successfully achieved by localized dissolution of MOF crystals followed by a rapid self-assembly of framework components. Upon addition of the desired organic linkers to the reaction system containing MOF crystals on the substrate, reversible crystal conversion between the [Cu2(btc)3]n and [Cu2(ndc)2(dabco)]n frameworks (btc = 1,3,5-benzene tricarboxylate, ndc = 1,4-naphthalene dicarboxylate, dabco = 1,4-diazabicyclo[2.2.2]octane) could be routinely achieved in high yields. Most surprisingly, in the case of conversion from the [Cu2(ndc)2(dabco)]n to [Cu2(btc)3]n frameworks, the [Cu2(btc)3]n crystals with unique shapes (cuboctahedron and truncated cube) could be prepared using butanol as a reaction medium.

  15. Photonic Paint Developed with Metallic Three-Dimensional Photonic Crystals

    Science.gov (United States)

    Sun, Po; Williams, John D.

    2012-01-01

    This work details the design and simulation of an inconspicuous photonic paint that can be applied onto an object for anticounterfeit and tag, track, and locate (TTL) applications. The paint consists of three-dimensional metallic tilted woodpile photonic crystals embedded into a visible and infrared transparent polymer film, which can be applied to almost any surface. The tilted woodpile photonic crystals are designed with a specific pass band detectable at nearly all incident angles of light. When painted onto a surface, these crystals provide a unique reflective infra-red optical signature that can be easily observed and recorded to verify the location or contents of a package.

  16. Benzothiazolium Single Crystals: A New Class of Nonlinear Optical Crystals with Efficient THz Wave Generation.

    Science.gov (United States)

    Lee, Seung-Heon; Lu, Jian; Lee, Seung-Jun; Han, Jae-Hyun; Jeong, Chan-Uk; Lee, Seung-Chul; Li, Xian; Jazbinšek, Mojca; Yoon, Woojin; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Nelson, Keith A; Kwon, O-Pil

    2017-08-01

    Highly efficient nonlinear optical organic crystals are very attractive for various photonic applications including terahertz (THz) wave generation. Up to now, only two classes of ionic crystals based on either pyridinium or quinolinium with extremely large macroscopic optical nonlinearity have been developed. This study reports on a new class of organic nonlinear optical crystals introducing electron-accepting benzothiazolium, which exhibit higher electron-withdrawing strength than pyridinium and quinolinium in benchmark crystals. The benzothiazolium crystals consisting of new acentric core HMB (2-(4-hydroxy-3-methoxystyryl)-3-methylbenzo[d]thiazol-3-ium) exhibit extremely large macroscopic optical nonlinearity with optimal molecular ordering for maximizing the diagonal second-order nonlinearity. HMB-based single crystals prepared by simple cleaving method satisfy all required crystal characteristics for intense THz wave generation such as large crystal size with parallel surfaces, moderate thickness and high optical quality with large optical transparency range (580-1620 nm). Optical rectification of 35 fs pulses at the technologically very important wavelength of 800 nm in 0.26 mm thick HMB crystal leads to one order of magnitude higher THz wave generation efficiency with remarkably broader bandwidth compared to standard inorganic 0.5 mm thick ZnTe crystal. Therefore, newly developed HMB crystals introducing benzothiazolium with extremely large macroscopic optical nonlinearity are very promising materials for intense broadband THz wave generation and other nonlinear optical applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    corporates only the source, a pseudorandom chopper, a sample, and a single point detector at a fixed scattering angle. For the simulations we utilized parameters relevant to Corelli, the dedicated single crystal diffuse scattering instrument under development at SNS, i.e., facing the high-resolution water moderator [17], ...

  18. Hydrothermal syntheses and single crystal structural ...

    Indian Academy of Sciences (India)

    Unknown

    life,22–24 and environmental protection.25. Compounds containing N-oxides and sulphur pos- ... Thus, we wanted to investigate the coordination ability of this N-oxide that contains N–O, C–S–C and –COOH as the .... hedrally coordinated to the Co(II), Ni(II), and Zn(II) ions. The metal cation sits on a crystallographic cen-.

  19. The crystal chemistry of inorganic metal borohydrides and their relation to metal oxides.

    Science.gov (United States)

    Černý, Radovan; Schouwink, Pascal

    2015-12-01

    The crystal structures of inorganic homoleptic metal borohydrides are analysed with respect to their structural prototypes found amongst metal oxides in the inorganic databases such as Pearson's Crystal Data [Villars & Cenzual (2015). Pearson's Crystal Data. Crystal Structure Database for Inorganic Compounds, Release 2014/2015, ASM International, Materials Park, Ohio, USA]. The coordination polyhedra around the cations and the borohydride anion are determined, and constitute the basis of the structural systematics underlying metal borohydride chemistry in various frameworks and variants of ionic packing, including complex anions and the packing of neutral molecules in the crystal. Underlying nets are determined by topology analysis using the program TOPOS [Blatov (2006). IUCr CompComm. Newsl. 7, 4-38]. It is found that the Pauling rules for ionic crystals apply to all non-molecular borohydride crystal structures, and that the latter can often be derived by simple deformation of the close-packed anionic lattices c.c.p. and h.c.p., by partially removing anions and filling tetrahedral or octahedral sites. The deviation from an ideal close packing is facilitated in metal borohydrides with respect to the oxide due to geometrical and electronic considerations of the BH4(-) anion (tetrahedral shape, polarizability). This review on crystal chemistry of borohydrides and their similarity to oxides is a contribution which should serve materials engineers as a roadmap to design new materials, synthetic chemists in their search for promising compounds to be prepared, and materials scientists in understanding the properties of novel materials.

  20. Crystal growth and characterization of a semiorganic nonlinear optical single crystal of gamma glycine

    International Nuclear Information System (INIS)

    Prakash, J. Thomas Joseph; Kumararaman, S.

    2008-01-01

    Gamma glycine has been successfully synthesized by taking glycine and potassium chloride and single crystals have been grown by solvent evaporation method for the first time. The grown single crystals have been analyzed with XRD, Fourier transform infrared (FTIR), and thermo gravimetric and differential thermal analyses (TG/DTA) measurements. Its mechanical behavior has been assessed by Vickers microhardness measurements. Its nonlinear optical property has been tested by Kurtz powder technique. Its optical behavior was examined by UV-vis., and found that the crystal is transparent in the region between 240 and 1200 nm. Hence, it may be very much useful for the second harmonic generation (SHG) applications

  1. Microscopic single-crystal refractometry as a function of wavelength

    International Nuclear Information System (INIS)

    DeLoach, L.D.

    1994-01-01

    The refractive indices of crystal fragments 50--200 μm in size can be measured for light wavelengths between 365 and 1100 nm with a spindle-stage refractometer. Established methods from optical crystallograpy are used to orient a crystal on the microscope spindle stage and then to match its refractive index to an immersion fluid. The refractive index of the fluid for the wavelength of light and matching temperature is determined by comparison of a reference crystal on a second spindle axis with the fluid under the match conditions. Investigations of new nonlinear-optical crystals admirably demonstrate the advantages of measuring the refractive index to ± 0.0004 in small single crystals

  2. Enhancing the mechanical properties of single-crystal CVD diamond.

    Science.gov (United States)

    Liang, Qi; Yan, Chih-Shiue; Meng, Yufei; Lai, Joseph; Krasnicki, Szczesny; Mao, Ho-Kwang; Hemley, Russell J

    2009-09-09

    Approaches for enhancing the strength and toughness of single-crystal diamond produced by chemical vapor deposition (CVD) at high growth rates are described. CVD processes used to grow single-crystal diamond in high density plasmas were modified to incorporate boron and nitrogen. Semi-quantitative studies of mechanical properties were carried out using Vickers indentation techniques. The introduction of boron in single-crystal CVD diamond can significantly enhance the fracture toughness of this material without sacrificing its high hardness (∼78 GPa). Growth conditions were varied to investigate its effect on boron incorporation and optical properties by means of photoluminescence, infrared, and ultraviolet-visible absorption spectroscopy. Boron can be readily incorporated into single-crystal diamond by the methods used, but with nitrogen addition, the incorporation of boron was hindered. The spectroscopic measurements indicate that nitrogen and boron coexist in the diamond structure, which helps explain the origin of the enhanced fracture toughness of this material. Further, low pressure/high temperature annealing can enhance the intrinsic hardness of single-crystal CVD diamond by a factor of two without appreciable loss in fracture toughness. This doping and post-growth treatment of diamond may lead to new technological applications that require enhanced mechanical properties of diamond.

  3. Structural, spectral and mechanical studies of bimetallic crystal: cadmium manganese thiocyanate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Manikandan, M.; Vijaya Prasath, G.; Mahalingam, T.; Ravi, G. [Alagappa University, Department of Physics, Karaikudi (India); Bhagavannarayan, G.; Vijayan, N. [National Physical Laboratory, Materials Characterization Division, New Delhi (India)

    2012-09-15

    A nonlinear optical bimetallic thiocyanate complex crystal, cadmium manganese thiocyanate (CMTC) has been successfully synthesized. The growth of single crystals of cadmium manganese thiocyanate has been accomplished from aqueous solution using slow evaporation method. The presence of manganese and cadmium in the synthesized material was confirmed through energy dispersive spectrum (EDS) analysis. Structural analysis was carried out using powder X-ray diffractometer (PXRD) and crystalline perfection of the grown crystals was ascertained by high-resolution X-ray diffraction (HRXRD) analysis. Fourier transform infrared (FTIR) spectrum was taken to confirm the functional groups. The transmittance spectrum of the crystal in the UV-visible region has been recorded and the cutoff wavelength has been determined. The dielectric measurements for the crystals were performed for various frequencies and temperatures. The mechanical properties were evaluated by Vickers microhardness testing, which reveals hardness and stiffness constant of the crystals. (orig.)

  4. Luminescence of YAB:Er single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Foeldvari, I.; Beregi, E.; Watterich, A. [Research Institute for Solid State Physics and Optics, HAS, Konkoly-Thege u. 29-33, 1121 Budapest (Hungary); Solarz, P.; Dominiak-Dzik, G.; Ryba-Romanowski, W. [Institute of Low Temperature and Structure Research, PAS, Okolna 2, 50422 Wroclaw (Poland)

    2007-03-15

    Luminescence spectra of YAB:Er crystals were studied in the ultraviolet-visible region and in the 10-300 K temperature range. The dominant Er{sup 3+}-emission belonged to the {sup 4}S{sub 3/2} {yields} {sup 4}I{sub 15/2} transition (18000-18500 cm{sup -1}). Its Stark components were assigned and found to be consistent with those derived from the absorption spectra. The lifetime of the luminescence was determined as a function of temperature and Er-concentration, and the decay kinetics was analyzed. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Characteristics of trapped electrons and electron traps in single crystals

    International Nuclear Information System (INIS)

    Budzinski, E.E.; Potter, W.R.; Potienko, G.; Box, H.C.

    1979-01-01

    Two additional carbohydrates are reported whose crystal structures trap electrons intermolecularly in single crystals x irradiated at low temperature, namely sucrose and rhamnose. Five carbohydrate and polyhydroxy compounds are now known which exhibit this phenomenon. The following characteristics of the phenomenon were investigated: (1) the hyperfine couplings of the electron with protons of the polarized hydroxy groups forming the trap; (2) the distances between these protons and the trapped electron; (3) the spin density of the electron at the protons and (4) the relative stabilities of the electron trapped in various crystal structures

  6. Single crystal surface structure by bragg scattering

    DEFF Research Database (Denmark)

    Nielsen, Mogens

    1985-01-01

    X-ray diffraction is becoming an important tool in the measurements of surface structures. Single crystalline samples are used as in Low Energy Electron Diffraction (LEED)-studies. The X-ray technique is somewhat more involved due to the need of bright, collimated photon sources, in general...

  7. Anisotropy of electron work function and reticular compacting of friable faces of metallic crystals

    International Nuclear Information System (INIS)

    Vladimirov, A.F.

    1999-01-01

    The review and statistical estimate of experimental data on work functions for BCC-, FCC- and HCP - metals (W, Mo, Ta, Nb, Cr, V, Ni, Y) as well as the earlier developed quantum-mechanical statistical model of double electrical layer formation at metal surface and the calculation of an electron work function dipole constituent serve as a basis for the development of a semi-empirical theory of electron work function anisotropy. A coefficient of reticular compacting of friable crystal faces is introduced and statistically estimated. A coefficient of crystal emission anisotropy is also introduced and estimated both theoretically and empirically. The theory permits calculating work functions for all crystal faces and a volumetric constituent of the work function from the measured value of electron work function for a single face [ru

  8. Growth of Ti or Fe doped lithium niobate single crystals

    International Nuclear Information System (INIS)

    Lee, J.H.; Kim, J.N.; Ro, J.H.; Kim, J.W.; Jeen, G.S.; Kim, Y.C.; Lee, H.S.

    1982-01-01

    This paper reprots a study of the growth of Ti or Fe doped LiNbO 3 single crystals by Czochralski method and its physical properties. On the basis of this study we have developed a growth procedure that produces a high yield of twin-free boules. The quality is better for crystals that are lightly doped with Ti than for those of high concentrations. However there are no significant quality differences among the crystals with concentrations of less than 0.5wt% of Fe. The crystals are characterized by optical absorption and magnetic susceptibility. Undoped crystals show the magnetic susceptibility of -10x10 -6 cgs, which is diamagnetic. The crystals with 0.01wt% and 0.5wt% of ferromagnetic susceptibilities of 2.6x1a -6 cgs, and 80x10 -6 cgs, respectively. Therefore, Fe-doped crystals are paramagnetic. Very small changes of magnetic susceptibilities have been observed in the Ti-doped crystals. (Author)

  9. Spin and charge transport study in single crystal organic semiconductors

    Science.gov (United States)

    Raman, Karthik V.; Mulder, Carlijn L.; Baldo, Marc A.; Moodera, Jagadeesh S.

    2009-03-01

    Spin transport studies in amorphous rubrene films have shown exciting and promising results [1]. A large spin diffusion length in these amorphous films has increased the motivation to perform spin transport study in high purity single crystal rubrene. This will provide the fundamental understanding on the spin transport behavior in OS; not influenced by defects or traps. We will present work on small channel single crystal rubrene FET device with magnetic electrodes. For example, our preliminary studies have show mobility for FET with Co electrode to be 0.014cm^2/V-s. A study on the spin and charge transport properties in single crystals of OS with magnetic electrodes is being done and the results will be reported. The influence of gate voltage and applied magnetic field on the transport properties will be discussed. [1] J.H. Shim et al., PRL 100, 226603 (2008)

  10. Mechanical properties of hydroxyapatite single crystals from nanoindentation data

    Science.gov (United States)

    Zamiri, A.; De, S.

    2011-01-01

    In this paper we compute elasto-plastic properties of hydroxyapatite single crystals from nanindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young’s modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals. PMID:21262492

  11. Characterization of MnO4-/KBr Single Crystal

    International Nuclear Information System (INIS)

    Win Kyaw; Win Zaw; Thein Soe; Pho Kaung; Sein Htoon

    2006-06-01

    Manually operated X- ray diffractometer (Tel-X-Ometer 580) was upgraded successfully into the Personal Computer (PC) based instrument. Utilizing this together with Fourier Transform Infrared (FTIR) Spectrophotometer investigates the effect of doping Permanganate, MnO4- , ions into Potassium Bromide, KBr, single crystal. XRD spectra of the pure KBr single crystal and the MnO4 doped KBr (MnO4- / KBr) single crystal are found to be similar irrespective of the dopant MnO4- ion. The IR spectrum, however, confirms the existence of MnO4- matrix isolated in KBr. The high intensity of the resonance Raman transitions is employed to examine the dopants in substrate which are present in such low abundances that conventional Raman Spectroscopy cannot detect

  12. Consolidation of nanometer-sized aluminum single crystals: Microstructure and defects evolutions

    KAUST Repository

    Afify, N. D.

    2014-04-01

    Deriving bulk materials with ultra-high mechanical strength from nanometer-sized single metalic crystals depends on the consolidation procedure. We present an accurate molecular dynamics study to quantify microstructure responses to consolidation. Aluminum single crystals with an average size up to 10.7 nm were hydrostatically compressed at temperatures up to 900 K and pressures up to 5 GPa. The consolidated material developed an average grain size that grew exponentially with the consolidation temperature, with a growth rate dependent on the starting average grain size and the consolidation pressure. The evolution of the microstructure was accompanied by a significant reduction in the concentration of defects. The ratio of vacancies to dislocation cores decreased with the average grain size and then increased after reaching a critical average grain size. The deformation mechanisms of poly-crystalline metals can be better understood in the light of the current findings. © 2013 Elsevier B.V. All rights reserved.

  13. Estimation of single crystal elastic constants using ultrasonic testing - a feasibility study

    International Nuclear Information System (INIS)

    Phani Kumar, K.K.; Rentala, Vamsi Krishna; Gautam, Jaiprakash; Mylavarapu, Phani

    2015-01-01

    Estimation of single crystal elastic constants (SCEC) of metallic materials is of paramount importance in the development of crystal plasticity based models as well as for studying the effect of microstructure on wave propagation. SCEC are usually determined destructively by tensile and shear loading a single crystal specimen. These constants can also be estimated non-destructively, using X-ray diffraction measurements on a polycrystalline specimen. However, the aforementioned procedures have a limitation of either the sample size (in case of X-ray diffraction) or, availability of single crystal (in case of destructive testing). Hence, in this study, an effort has been undertaken to estimate SCEC by subjecting polycrystalline specimens to ultrasonic testing. Ultrasonic longitudinal and shear velocities, longitudinal attenuation coefficient and ultrasonic backscattered grain noise will be measured on pure Cu specimen. Further, these parameters will also be calculated analytically using existing relationships involving, elastic constants, grain size probability level, ultrasonic longitudinal and shear wave velocities, attenuation coefficient and backscattered grain noise. By minimizing the difference between experimentally measured and analytically calculated ultrasonic parameters, an attempt will be made to estimate single crystal elastic constants. (author)

  14. Superfast domain walls in KTP single crystals

    Science.gov (United States)

    Shur, V. Ya.; Esin, A. A.; Alam, M. A.; Akhmatkhanov, A. R.

    2017-10-01

    Potassium titanyl phosphate KTiOPO4 (KTP) crystals with periodical ferroelectric domain structures are one of the most promising materials for nonlinear optics, in which the main types of nonlinear optical interactions have been demonstrated. Despite the crucial importance of the in situ visualization of domain structure kinetics for creation of high quality periodical domain gratings, there are only a few works concerning KTP. We present the results of in situ visualization of domain kinetics in KTP with the time resolution down to 12.5 μs and simultaneous recording of the switching current data. The wide range of wall velocities with two orders of magnitude difference was observed for switching in a uniform electric field. The kinetic maps allowed analyzing the spatial distribution of wall motion velocities and classifying the walls by velocity ranges. The distinguished slow, fast, and superfast types of domain walls differed by their orientation. It was shown that the fast and slow domain walls provided the smooth input to the switching current, whereas the short-lived superfast walls resulted in short current peaks. The mobility and the threshold fields for all types of domain walls were estimated. The revealed increase in the wall velocity with deviation from low-index crystallographic planes for slow and fast walls was considered in terms of determined step generation and anisotropic kink motion. The obtained results are important for further development of domain engineering in KTP required for creation of high power, reliable, and effective coherent light sources.

  15. single crystal growth, x-ray structure analysis, optical band gap

    African Journals Online (AJOL)

    2015-09-01

    Sep 1, 2015 ... Hg...Hgand Cl...Cl interactions are stabilizing the structures in 3D pattern. UV-vis absorption spectra illustrate the change in opticalband gap from 3.01eVto 3.42eV on replacing the metal halide group.Raman and Hyper-Raman tensors calculations were performed based on single crystal X-ray data and the ...

  16. Regularities of recrystallization in rolled Zr single crystals

    International Nuclear Information System (INIS)

    Isaenkova, M; Perlovich, Yu; Fesenko, V; Krymskaya, O; Krapivka, N; Thu, S S

    2015-01-01

    Experiments by rolled single crystals give a more visible conception of the operating mechanisms of plastic deformation and the following recrystallization, than experiments by polycrystals. Studies by usage of X-ray diffraction methods were conducted by Zr single crystals. It was revealed, that regions of the α-Zr matrix, deformed mainly by twinning, are characterized with decreased tendency to recrystallization. Orientations of recrystallized α-Zr grains correspond to “slopes” of maxima in the rolling texture, where the level of crystalline lattice distortion is maximal and the number of recrystallization nuclei is most of all. (paper)

  17. Preparation of single-crystal copper ferrite nanorods and nanodisks

    International Nuclear Information System (INIS)

    Du Jimin; Liu Zhimin; Wu Weize; Li Zhonghao; Han Buxing; Huang Ying

    2005-01-01

    This article, for the first time, reports the preparation of single-crystal copper ferrite nanorods and nanodisks. Using amorphous copper ferrite nanoparticles synthesized by reverse micelle as reaction precursor, single-crystal copper ferrite nanorods were synthesized via hydrothermal method in the presence of surfactant polyethylene glycol (PEG), however, copper ferrite nanodisks were prepared through the same procedures except the surfactant PEG. The resulting nanomaterials have been characterized by powder X-ray diffraction (XRD), selected electron area diffraction (SEAD), and transmission electron microscopy (TEM). The bulk composition of the samples was determined by means of X-ray photoelectron spectroscopy (XPS)

  18. Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)

    2011-09-15

    Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

  19. Modification of Thermal Emission via Metallic Photonic Crystals

    International Nuclear Information System (INIS)

    Norris, David J.; Stein, Andreas; George, Steven M.

    2012-01-01

    Photonic crystals are materials that are periodically structured on an optical length scale. It was previously demonstrated that the glow, or thermal emission, of tungsten photonic crystals that have a specific structure - known as the 'woodpile structure' - could be modified to reduce the amount of infrared radiation from the material. This ability has implications for improving the efficiency of thermal emission sources and for thermophotovoltaic devices. The study of this effect had been limited because the fabrication of metallic woodpile structures had previously required a complex fabrication process. In this project we pursued several approaches to simplify the fabrication of metallic photonic crystals that are useful for modification of thermal emission. First, we used the self-assembly of micrometer-scale spheres into colloidal crystals known as synthetic opals. These opals can then be infiltrated with a metal and the spheres removed to obtain a structure, known as an inverse opal, in which a three-dimensional array of bubbles is embedded in a film. Second, we used direct laser writing, in which the focus of an infrared laser is moved through a thin film of photoresist to form lines by multiphoton polymerization. Proper layering of such lines can lead to a scaffold with the woodpile structure, which can be coated with a refractory metal. Third, we explored a completely new approach to modified thermal emission - thin metal foils that contain a simple periodic surface pattern, as shown in Fig. 1. When such a foil is heated, surface plasmons are excited that propagate along the metal interface. If these waves strike the pattern, they can be converted into thermal emission with specific properties.

  20. Studying The Effect of Various Parameters on The Characteristics of The Dielectric and Metallic Photonic Crystals

    International Nuclear Information System (INIS)

    Ismail, M.; Badawy, Z.M.; Abdel-Rahman, E.

    2015-01-01

    Transmittance characteristics of two types of photonic crystals have been analysed using the transfer matrix method. The first one is the dielectric photonic crystal (DPC), and the second is the metallic photonic crystal (MPC). The effect of the most parameters on the transmission spectra of the dielectric and metallic photonic crystals has been studied

  1. Roflumilast - A reversible single-crystal to single-crystal phase transition at 50 °C

    Science.gov (United States)

    Viertelhaus, Martin; Holst, Hans Christof; Volz, Jürgen; Hummel, Rolf-Peter

    2013-01-01

    Roflumilast is a selective phosphodiesterase type 4 inhibitor and is marketed under the brand names Daxas®, Daliresp® and Libertec®. A phase transition of the drug substance roflumilast was observed at 50 °C. The low temperature form, the high temperature form and the phase transition were characterised by differential scanning calorimetry, variable temperature powder X-ray diffraction and single crystal X-ray diffraction, Raman spectroscopy and solid state NMR spectroscopy. The phase transition of roflumilast at 50 °C is completely reversible, the high temperature form cannot be stabilised by quench cooling and the phase transition does not influence the quality of the active pharmaceutical ingredient (API) and the drug product. It was observed to be a single crystal to single crystal phase transition.

  2. Crystal growth, spectral and laser properties of Nd:LSAT single crystal

    Science.gov (United States)

    Hu, P. C.; Yin, J. G.; Zhao, C. C.; Gong, J.; He, X. M.; Zhang, L. H.; Liang, X. Y.; Hang, Y.

    2011-10-01

    Nd:(La, Sr)(Al, Ta)O3 (Nd:LSAT) crystal was grown by the Czochralski method. The absorption and fluorescence spectra of Nd:LSAT crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LSAT crystal was demonstrated. The result of diode-pumped laser operation of Nd:LSAT crystal single crystal is reported for what is to our knowledge the first time. The maximum output power at 1064 nm was obtained to be 165 mW under the incident pump power of 3 W, with the slope efficiency 10.9%.

  3. Estimation of Single-Crystal Elastic Constants of Polycrystalline Materials from Back-Scattered Grain Noise

    International Nuclear Information System (INIS)

    Haldipur, P.; Margetan, F. J.; Thompson, R. B.

    2006-01-01

    Single-crystal elastic stiffness constants are important input parameters for many calculations in material science. There are well established methods to measure these constants using single-crystal specimens, but such specimens are not always readily available. The ultrasonic properties of metal polycrystals, such as velocity, attenuation, and backscattered grain noise characteristics, depend in part on the single-crystal elastic constants. In this work we consider the estimation of elastic constants from UT measurements and grain-sizing data. We confine ourselves to a class of particularly simple polycrystalline microstructures, found in some jet-engine Nickel alloys, which are single-phase, cubic, equiaxed, and untextured. In past work we described a method to estimate the single-crystal elastic constants from measured ultrasonic velocity and attenuation data accompanied by metallographic analysis of grain size. However, that methodology assumes that all attenuation is due to grain scattering, and thus is not valid if appreciable absorption is present. In this work we describe an alternative approach which uses backscattered grain noise data in place of attenuation data. Efforts to validate the method using a pure copper specimen are discussed, and new results for two jet-engine Nickel alloys are presented

  4. Polarization properties and crystal structures of ferroelectric (Ba,CaTiO3 single crystals

    Directory of Open Access Journals (Sweden)

    Ryota Imura

    2014-01-01

    Full Text Available We have investigated the spontaneous polarization (Ps of Ba1-xCaxTiO3 (BCT by polarization hysteresis measurements using single crystals and by density functional theory (DFT calculations. Single crystals of BCT (x = 0.07 were grown by a top-seeded solution growth (TSSG method. The polarization measurements show that the crystals (x = 0.07 have a Ps of 26.0 μC/cm2, which is slightly small compared with BaTiO3 (27.3 μC/cm2. Our DFT calculations based on a supercell approach show that Ca atoms are markedly displaced cooperatively with the adjacent Ti atoms along the Ps direction. It is suggested that the CaTiO3-like octahedral rotation is constructed in the BCT supercell around the Ca atoms, which is the origin of the smaller Ps observed for the BCT crystals.

  5. Monitoring Lidocaine Single-Crystal Dissolution by Ultraviolet Imaging

    DEFF Research Database (Denmark)

    Ostergaard, Jesper; Ye, Fengbin; Rantanen, Jukka

    2011-01-01

    ) imaging for conducting single‐crystal dissolution studies was performed. Using lidocaine as a model compound, the aim was to develop a setup capable of monitoring and quantifying the dissolution of lidocaine into a phosphate buffer, pH 7.4, under stagnant conditions. A single crystal of lidocaine...... was placed in the quartz dissolution cell and UV imaging was performed at 254 nm. Spatially and temporally resolved mapping of lidocaine concentration during the dissolution process was achieved from the recorded images. UV imaging facilitated the monitoring of lidocaine concentrations in the dissolution...... media adjacent to the single crystals. The concentration maps revealed the effects of natural convection due to density gradients on the dissolution process of lidocaine. UV imaging has great potential for in vitro drug dissolution testing...

  6. Extrinsic doping of CuGaSe2 single crystals

    Science.gov (United States)

    Schön, J. H.

    2000-02-01

    Technological applications of semiconductors depend critically on the ability to dope them. Single crystals of CuGaSe2 were doped during crystal growth either by a post-growth diffusion step or by ion-implantation, in order to study the limits of extrinsic doping. The electrical and optical properties of the doped samples are analysed by Hall effect and photoluminescence (PL) measurements. The carrier concentration at room temperature can be adjusted between 2 × 1019 cm-3 (p-type) and 1017 cm-3 (n-type). Various donor and acceptor levels are identified and ascribed to dopant-induced point defects taking into account the dopant concentration and/or the post-growth treatment of the single crystals.

  7. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei

    2017-04-01

    With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

  8. Single crystal growth, crystal structure and characterization of a novel crystal: L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP)

    Science.gov (United States)

    Wang, L. N.; Wang, X. Q.; Zhang, G. H.; Liu, X. T.; Sun, Z. H.; Sun, G. H.; Wang, L.; Yu, W. T.; Xu, D.

    2011-07-01

    A novel organic crystal, L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP), synthesized and grown from aqueous solution, is presented. X-ray single diffraction shows that LAPP belongs to the monoclinic crystallographic system with space group P2 1. FT-IR and UV/vis/NIR transmission spectra have been employed to characterize the crystal. The computational calculation based on the density functional theory at the B3LYP/6-31G (d, p) level has been used to compute the first-order hyperpolarizability of LAPP relating to different molecular models. The morphology, nonlinear characteristic and thermal stability of the crystal have also been investigated.

  9. Single-Crystal-to-Single-Crystal Anion Exchange in a Gadolinium MOF: Incorporation of POMs and [AuCl4]−

    Directory of Open Access Journals (Sweden)

    Javier López-Cabrelles

    2016-04-01

    Full Text Available The encapsulation of functional molecules inside porous coordination polymers (also known as metal-organic frameworks, MOFs has become of great interest in recent years at the field of multifunctional materials. In this article, we present a study of the effects of size and charge in the anion exchange process of a Gd based MOF, involving molecular species like polyoxometalates (POMs, and [AuCl4]−. This post-synthetic modification has been characterized by IR, EDAX, and single crystal diffraction, which have provided unequivocal evidence of the location of the anion molecules in the framework.

  10. Bulk crystal growth and nonlinear optical characterization of semiorganic single crystal: Cadmium (II) dibromide L - Proline monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Balakrishnan, T., E-mail: balacrystalgrowth@gmail.com [Crystal Growth Laboratory, PG & Research Department of Physics, Periyar EVR College (Autonomous), Tiruchirappalli, 620 023, Tamil Nadu (India); Sathiskumar, S. [Crystal Growth Laboratory, PG & Research Department of Physics, Periyar EVR College (Autonomous), Tiruchirappalli, 620 023, Tamil Nadu (India); Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, Department of Physics and Nanotechnology, SRM University, Kattankulathur, 603 203, Kancheepuram, Tamil Nadu (India); Thamotharan, S. [Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur, 613 401 (India)

    2017-01-15

    Single crystal of a novel metal organic nonlinear optical (NLO) cadmium (II) dibromide L - proline monohydrate (CBLPM) of size 7 × 7 × 5 mm{sup 3} was grown from slow evaporation technique. Single crystal X – ray diffraction analysis reveals that the crystal belongs to orthorhombic system with lattice parameters a = 10.1891 (8) Å, b = 13.4961 (11) Å, c = 7.4491 (5) Å and space group P2{sub 1}2{sub 1}2{sub 1}. The powder X – ray diffraction pattern of CBLPM was recorded and the X – ray diffraction peaks were indexed. The various functional groups of CBLPM were identified by the FT – IR and FT – Raman spectral analyses. The optical transmittance window and lower cut off wavelength of CBLPM were identified from UV – Vis – NIR studies. The mechanical strength of the grown crystal was estimated using Vickers microhardness test. Dielectric constant and dielectric loss measurements were carried out at different temperatures in the frequency range of 50 Hz - 2 MHz. The photoluminescence spectrum was recorded in the wavelength range 200–400 nm and the estimated optical band gap was ∼4.1 eV. Etching studies were carried out for different etching time. Thermal stability of CBLPM was determined using thermogravimetric analysis. Laser induced damage threshold study was carried out for the grown crystal using Nd:YAG laser. Size dependent second harmonic generation efficiency of the grown crystal was determined by Kurtz and Perry powder technique with different particle size using Nd:YAG laser with wavelength 1064 nm. Second harmonic generation efficiency of the powdered CBLPM crystal was ∼2.3 times that of potassium dihydrogen orthophosphate. - Highlights: • CBLPM crystal belongs to orthorhombic crystal system with space group P2{sub 1}2{sub 1}2{sub 1.} • Transmittance of CBLPM is ∼80% in the 650–1100 nm range. • Powder SHG efficiency of CBLPM increases with increase in particle size. • SHG efficiency of 0.57 μm size powdered CBLPM is ∼2

  11. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    Here, we discuss the potential of the cross-correlation technique for efficient measurement of single crystal diffuse scattering with energy discrimination, as will be implemented in a novel instrument, Corelli. Utilizing full experiment simulations, we show that this technique readily leads up to a fifty-fold gain in efficiency, ...

  12. Some Debye temperatures from single-crystal elastic constant data

    Science.gov (United States)

    Robie, R.A.; Edwards, J.L.

    1966-01-01

    The mean velocity of sound has been calculated for 14 crystalline solids by using the best recent values of their single-crystal elastic stiffness constants. These mean sound velocities have been used to obtain the elastic Debye temperatures ??De for these materials. Models of the three wave velocity surfaces for calcite are illustrated. ?? 1966 The American Institute of Physics.

  13. Single crystal neutron diffraction study of triglycine sulphate revisited

    Indian Academy of Sciences (India)

    Abstract. In order to get the exact hydrogen-bonding scheme in triglycine sulphate. (TGS), which is an important hydrogen bonded ferroelectric, a single crystal neutron diffraction study was undertaken. The structure was refined to an R-factor of R[F2] = 0.034. Earlier neutron structure of TGS was reported with a very limited ...

  14. Single crystal ternary oxide ferroelectric integration with Silicon

    Science.gov (United States)

    Bakaul, Saidur; Serrao, Claudy; Youun, Long; Khan, Asif; Salahuddin, Sayeef

    2015-03-01

    Integrating single crystal, ternary oxide ferroelectric thin film with Silicon or other arbitrary substrates has been a holy grail for the researchers since the inception of microelectronics industry. The key motivation is that adding ferroelectric materials to existing electronic devices could bring into new functionality, physics and performance improvement such as non-volatility of information, negative capacitance effect and lowering sub-threshold swing of field effect transistor (FET) below 60 mV/decade in FET [Salahuddin, S, Datta, S. Nano Lett. 8, 405(2008)]. However, fabrication of single crystal ferroelectric thin film demands stringent conditions such as lattice matched single crystal substrate and high processing temperature which are incompatible with Silicon. Here we report on successful integration of PbZr0.2Ti0.8O3 in single crystal form with by using a layer transfer method. The lattice structure, surface morphology, piezoelectric coefficient d33, dielectric constant, ferroelectric domain switching and spontaneous and remnant polarization of the transferred PZT are as good as these characteristics of the best PZT films grown by pulsed laser deposition on lattice matched oxide substrates. We also demonstrate Si based, FE gate controlled FET devices.

  15. Microhardness studies on nonlinear optical L-alanine single crystals

    Indian Academy of Sciences (India)

    Sci., Vol. 36, No. 3, June 2013, pp. 471–474. c Indian Academy of Sciences. Microhardness studies on nonlinear optical L-alanine single crystals. R HANUMANTHARAO† and S KALAINATHAN‡,∗ ... ter to the area of the impression left on the specimen. Both ... where P is the applied load in kg, d is in mm and Hv is in kg mm.

  16. Magnetic structure of URhSi single crystal

    Czech Academy of Sciences Publication Activity Database

    Prokeš, K.; Andreev, Alexander V.; Honda, F.; Sechovský, V.

    2003-01-01

    Roč. 261, - (2003), s. 131-138 ISSN 0304-8853 R&D Projects: GA ČR GA202/02/0739 Institutional research plan: CEZ:AV0Z1010914 Keywords : URhSi single crystal * magnetization * neutron diffraction * magnetic structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  17. Bulk study of a DyNiAl single crystal

    Czech Academy of Sciences Publication Activity Database

    Prchal, J.; Andreev, Alexander V.; Javorský, P.; Honda, F.; Jurek, Karel

    272-276, - (2004), e419-e420 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943 Keywords : rare-earth * DyNiAl * magnetic anisotropy * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.031, year: 2004

  18. Area detectors in single-crystal neutron diffraction

    Science.gov (United States)

    McIntyre, Garry J.

    2015-12-01

    The introduction of area detectors has brought about a gentle revolution in the routine application of single-crystal neutron diffractometry. Implemented first for macromolecular crystallography, electronic detectors subsequently gradually spread to chemical and physics-oriented crystallography at steady-state sources. The volumetric surveying of reciprocal space implicit in the Laue technique has required area detectors right from the start, whether using film and more recently image plates and CCD-based detectors at reactors, or scintillation detectors at spallation sources. Wide-angle volumetric data collection has extended application of neutron single-crystal diffractometry to chemical structures, sample volumes, and physical phenomena previously deemed impossible. More than 30 of the dedicated single-crystal neutron diffractometers at steady-state reactor and neutron spallation sources worldwide and accessible via peer-review proposal mechanisms are currently equipped with area detectors. Here we review the historical development of the various types of area detectors used for single crystals, discuss experimental aspects peculiar to experiments with such detectors, highlight the scientific fields where the use of area detectors has had a special impact, and forecast future developments in hardware, implementation, and software.

  19. Area detectors in single-crystal neutron diffraction

    International Nuclear Information System (INIS)

    McIntyre, Garry J

    2015-01-01

    The introduction of area detectors has brought about a gentle revolution in the routine application of single-crystal neutron diffractometry. Implemented first for macromolecular crystallography, electronic detectors subsequently gradually spread to chemical and physics-oriented crystallography at steady-state sources. The volumetric surveying of reciprocal space implicit in the Laue technique has required area detectors right from the start, whether using film and more recently image plates and CCD-based detectors at reactors, or scintillation detectors at spallation sources. Wide-angle volumetric data collection has extended application of neutron single-crystal diffractometry to chemical structures, sample volumes, and physical phenomena previously deemed impossible. More than 30 of the dedicated single-crystal neutron diffractometers at steady-state reactor and neutron spallation sources worldwide and accessible via peer-review proposal mechanisms are currently equipped with area detectors. Here we review the historical development of the various types of area detectors used for single crystals, discuss experimental aspects peculiar to experiments with such detectors, highlight the scientific fields where the use of area detectors has had a special impact, and forecast future developments in hardware, implementation, and software. (review)

  20. Effect of pressure on electrical resistance of WSe single crystal

    Indian Academy of Sciences (India)

    Abstract. The results of electrical resistance measurements under pressure on single crystals of. WSe2 are reported. Measurements up to 8.5 GPa are carried out using Bridgman anvil set up and beyond it using diamond anvil cell (DAC) up to a pressure of 27 GPa. There is no clear indication of any phase transition till the ...

  1. Lattice effects in HoVo(3) single crystal

    NARCIS (Netherlands)

    Sikora, M.; Marquina, C.; Ibarra, M. R.; Nugroho, A. A.; Palstra, T. T. M.

    We report the study of lattice effects in the Mott insulator HoVO3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO3 reveals gradual orbital ordering (OO) below T-OO = 200K and orders antiferromagnetically at T-N =

  2. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, F.; Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Sattonnay, G.; Sauvage, T.; Thome, L

    2004-06-01

    Lattice location of {sup 3}He atoms implanted into UO{sub 2} single crystals was performed by means of the channeling technique combined with nuclear reaction analysis (NRA) and Rutherford backscattering spectrometry (RBS). The {sup 3}He(d,p){sup 4}He reaction was used. The experimental angular scans show that helium atoms occupy octahedral interstitial positions.

  3. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE.

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2011-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  4. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2012-01-01

    A method for manufacturing a single crystal nano-structure includes providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing parts of the stress layer to

  5. Double minimum creep of single crystal Ni-base superalloys

    Czech Academy of Sciences Publication Activity Database

    WU, X.; Wollgramm, P.; Somsen, C.; Dlouhý, Antonín; Kostka, A.; Eggeler, G.

    2016-01-01

    Roč. 112, JUN (2016), s. 242-260 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA14-22834S Institutional support: RVO:68081723 Keywords : Single crystal Ni-base superalloys * Primary creep * Transmission electron microscopy * Dislocations * Stacking fault s Subject RIV: JG - Metallurgy Impact factor: 5.301, year: 2016

  6. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Most of the tartrate compounds are insoluble in water and decompose before melting. Hence, single crystals of such type cannot be grown either by slow evaporation or by melt technique, but can be grown easily by gel method. Gel method is an alternative method to solution growth with controlled diffusion and the growth ...

  7. Electronic Transport Properties of Single Crystal THALLIUM-2201 Superconductors

    Science.gov (United States)

    Yandrofski, Robert Michael

    1992-11-01

    Four-probe resistance measurements on single crystals of the calcium-free thallium-based superconducting rm Tl_2Ba_2CuO_{6+delta } phase (Tl-2201) were performed in magnetic fields up to 12 Telsa. Single crystals of sizes approaching 5mm x 1mm x.2mm were grown by a self-flux technique and were characterized by single crystal X-ray diffraction and X-ray Dispersive Analysis. Field measurements were taken both at dc and at low frequencies using a lock-in technique. Techniques were developed to oxygen-anneal the as-grown single crystals to generate single crystal samples of the same Tl-2201 phase with varying transition temperature T_{rm c}. Resistivity measurements indicate a gradual cross-over from linear temperature-dependent resistivity at high T_ {rm c} (i.e., low oxygen doping), to a predominantly quadratic temperature dependent resistivity at low T_{rm c} (i.e., high oxygen doping). These results are correlated with theories describing the gradual change in the nature of charge carrier scattering as the system is over-doped with holes. Four-probe resistivity measurements indicate that severe anisotropies in the resistivity profiles exist at all oxygen concentrations, with the out-of-plane resistivity measuring two to three orders of magnitude higher than the in-plane resistivity. Magnetic field results indicate the presence of an irreversibility transition, with a signature for a Kosterlitz-Thouless (or "melting") transition in the vortex lattice at low fields occuring in samples with the lower T_{rm c}. Such data suggest a quasi-two-dimensional behavior in this system. Measurements of the fluctuation conductivity also suggest a quasi-two -dimensional fluctuation regime. Experimental results are discussed within the framework of Fermi liquid theory.

  8. Effect of zinc acetate addition on crystal growth, structural, optical, thermal properties of glycine single crystals

    Directory of Open Access Journals (Sweden)

    S. Anbu Chudar Azhagan

    2017-05-01

    Full Text Available In the present study, γ-glycine has been crystallized by using zinc acetate dihydrate as an additive for the first time by slow solvent evaporation method. The second harmonic conversion efficiency of γ-glycine crystal was determined using Kurtz and Perry powder technique and was found to be 3.66 times greater than that of standard inorganic material potassium dihydrogen phosphate (KDP. The analytical grade chemicals of glycine and zinc acetate dihydrate were taken in six different molar ratios: 1:0.2, 1:0.4, 1:0.6, 1:0.7, 1:0.8, and 1:0.9 respectively to find out the γ-polymorph of glycine. The lower molar concentration of zinc acetate yield only α-polymorph where as the higher molar concentration of zinc acetate inhibits the γ-polymorph of glycine which was confirmed by single crystal XRD and powder XRD studies. Inductively coupled plasma optical emission spectrometry (ICP-OES was carried out to quantify the concentration of zinc element in the grown glycine single crystals. The concentration of zinc element in the presence of grown γ-glycine single crystal is found to be 0.73 ppm. UV–Visible–NIR transmittance spectra were recorded for the samples to analyse the transparency in visible and near infrared region (NIR. The optical band gap Eg was estimated for γ-glycine single crystal using UV–Visible–NIR study. Functional groups present in the samples were identified by FTIR spectroscopic analysis. Differential scanning calorimetry technique was employed to determine the phase transition, thermal stability and melting point of the grown crystal.

  9. The growth of single crystals of Ni-W alloy under conditions of high temperature gradient

    International Nuclear Information System (INIS)

    Azhazha, V.M.; Gorbenko, Yu.V.; Kovtun, G.P.; Ladygin, A.N.; Malykhin, D.G.; Rudycheva, T.Yu.; Sverdlov, V.Ya.; Shcherban', A.P.; Zhemanyuk, P.D.; Klochikhin, V.V.

    2004-01-01

    The structure of single crystals of the NV-4 nickel alloy containing 32-36 wt % W is investigated. The temperature gradient at the crystallization front and the velocity of the crystallization front are the variable parameters of directional crystallization. The degrees of structural perfection of the single crystals grown under different conditions are compared. The crystallization parameters providing growth of single crystals that have high structural perfection and can be successfully used as seeds for the growth of single-crystal blades are determined. Typical defects formed upon directional crystallization of single crystals of the Ni-W (35 wt %) alloy are examined. The studied defects are classified, and the factors responsible for the disturbance of the single-crystal structure are analyzed

  10. Metal induced crystallization of silicon germanium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Gjukic, M.

    2007-05-15

    In the framework of this thesis the applicability of the aluminium-induced layer exchange on binary silicon germanium alloys was studied. It is here for the first time shown that polycrstalline silicon-germanium layers can be fabricated over the whole composition range by the aluminium-induced layer exchange. The experimental results prove thet the resulting material exhibits a polycrystalline character with typocal grain sizes of 10-100 {mu}m. Raman measurements confirm that the structural properties of the resulting layers are because of the large crystallites more comparable with monocrystalline than with nano- or microcrystalline silicon-germanium. The alloy ratio of the polycrystalline layer correspondes to the chemical composition of the amorphous starting layer. The polycrystalline silicon-germanium layers possess in the range of the interband transitions a reflection spectrum, as it is otherwise only known from monocrystalline reference layers. The improvement of the absorption in the photovoltaically relevant spectral range aimed by the application of silicon-germanium could be also proved by absorption measurments. Strongly correlated with the structural properties of the polycrystalline layers and the electronic band structure resulting from this are beside the optical properties also the electrical properties of the material, especially the charge-carrier mobility and the doping concentration. For binary silicon-germanium layers the hole concentration of about 2 x 10{sup 18} cm{sup -3} for pure silicon increrases to about 5 x 10{sup 20} cm{sub -3} for pure germanium. Temperature-resolved measurements were applied in order to detect doping levels respectively semiconductor-metal transitions. In the last part of the thesis the hydrogen passivation of polycrystalline thin silicon-germanium layers, which were fabricated by means of aluminium-induced layer exchange, is treated.

  11. Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

    Czech Academy of Sciences Publication Activity Database

    Molnar, P.; Šittner, P.; Novák, V.; Lukáš, Petr

    2008-01-01

    Roč. 481, Sp.Iss.SI (2008), s. 513-517 ISSN 0921-5093 R&D Projects: GA AV ČR IAA100480704 Institutional research plan: CEZ:AV0Z10480505 Keywords : Cu-Al-Ni * single crystals * neutron diffraction Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.806, year: 2008

  12. Near-equilibrium chemical vapor deposition of high-quality single-crystal graphene directly on various dielectric substrates.

    Science.gov (United States)

    Chen, Jianyi; Guo, Yunlong; Jiang, Lili; Xu, Zhiping; Huang, Liping; Xue, Yunzhou; Geng, Dechao; Wu, Bin; Hu, Wenping; Yu, Gui; Liu, Yunqi

    2014-03-05

    By using near-equilibrium chemical vapor deposition, it is demonstrated that high-quality single-crystal graphene can be grown on dielectric substrates. The maximum size is about 11 μm. The carrier mobility can reach about 5650 cm(2) V(-1) s(-1) , which is comparable to those of some metal-catalyzed graphene crystals, reflecting the good quality of the graphene lattice. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Thermal and electrical transport properties of ? single crystals

    Science.gov (United States)

    Gamal, G. A.; Nassary, M. M.; Nagat, A. T.; Abou-Alwafa, A. M.

    1996-04-01

    Electrical conductivity, Hall effect and thermoelectric power measurements are made for the compound 0268-1242/11/4/009/img2. This compound, which is a semiconductor grown in a single-crystal form, is studied over a wide range of temperature from 150 to 375 K. The crystal is grown by a modification of the Bridgman method. The combination of the electrical and thermal measurements in the present investigation makes it possible to find various physical parameters and to reveal the general behaviour of this semiconductor.

  14. Ferroelectric phase transition in Ga2Te3 single crystals

    Science.gov (United States)

    Gamal, G. A.; Abdalrahman, M. M.; Ashraf, M. I.; Eman, H. J.

    2005-01-01

    Measurements of the electrical conductivity and Hall effect were carried out in a wide temperature range (200-500 K) for Ga2Te3 crystals. The crystals were grown in single crystalline form by making a modification of the travelling heater method technique. The measurements revealed unusual observations in the electric conductivity and Hall mobility indicating the presence of some type of phase transitions at about 430 K. So, ferroelectric behavior was examined for confirming the presence of second-order (ferroelectric) phase transition. An energy gap of 1.21 eV and depth of the impurity center of 0.11 eV were found.

  15. Growth and Characterization of Tl2S Single Crystals

    Science.gov (United States)

    Gamal, G. A.; Zied, M. Abou; Gerges, M. K.; Galal, E. M.

    2003-09-01

    Single crystals of the Tl2S compound were grown for the first time in our laboratory by a new crystal growth technique based on a modification of the traveling heater method technique (THM). This growth was performed in our laboratory. Electrical conductivity, Hall effect and thermoelectric power (TEP) measurements were carried out in the temperature range (200-575 K). Throughout these measurements, various physical parameters such as effective mass of charge carriers, carrier mobility, diffusion length, diffusion coefficient, and the relaxation time for both majority and minority carriers were found. In conjunction with electrical conductivity and charge carrier concentration, thermoelectric power is discussed.

  16. Role of diffusion in glass formation and crystallization in metallic glasses

    International Nuclear Information System (INIS)

    Dey, G.K.; Banerjee, S.

    1999-01-01

    A considerable amount of interest has been generated with the advent of metallic glasses produced by rapid solidification earlier and bulk metallic glasses in recent times. Diffusion has a very important role to play during glass formation. The nucleation and growth of crystals in the metallic melt involves diffusion of atoms and these two processes need to be suppressed for formation of a glassy phase. Slower diffusion rates are particularly important in the case of alloys undergoing bulk metallic glass formation. Crystallization involves the nucleation and growth of crystals in the glassy solid. The nature of diffusion occurring during crystallization depends on the mode of crystallization. Whereas primary crystallization involves long range diffusion, atomic jumps across the crystal/glass interface occur during polymorphic crystallization. In this paper, an attempt has been made to describe the role of factors governing the rate of diffusion during glass formation and crystallization in metallic glasses. (author)

  17. Solving crystal structures of metal and chemical hydrides

    OpenAIRE

    Cerny, Radovan

    2008-01-01

    The methods of structural characterization of metal and chemical hydrides are reviewed. The existing difficulties and problems are outlined and possible solutions presented. It is shown that powder diffraction, and especially the Direct Space Method, is essential component of hydride research. Crystal structures containing as many as 55 independent atoms (including hydrogen) have been fully characterized using powder diffraction. This is of great importance, because rapid collection of powder...

  18. Trapezoidal diffraction grating beam splitters in single crystal diamond

    Science.gov (United States)

    Kiss, Marcell; Graziosi, Teodoro; Quack, Niels

    2018-02-01

    Single Crystal Diamond has been recognized as a prime material for optical components in high power applications due to low absorption and high thermal conductivity. However, diamond microstructuring remains challenging. Here, we report on the fabrication and characterization of optical diffraction gratings exhibiting a symmetric trapezoidal profile etched into a single crystal diamond substrate. The optimized grating geometry diffracts the transmitted optical power into precisely defined proportions, performing as an effective beam splitter. We fabricate our gratings in commercially available single crystal CVD diamond plates (2.6mm x 2.6mm x 0.3mm). Using a sputter deposited hard mask and patterning by contact lithography, the diamond is etched in an inductively coupled oxygen plasma with zero platen power. The etch process effectively reveals the characteristic {111} diamond crystal planes, creating a precisely defined angled (54.7°) profile. SEM and AFM measurements of the fabricated gratings evidence the trapezoidal shape with a pitch of 3.82μm, depth of 170 nm and duty cycle of 35.5%. Optical characterization is performed in transmission using a 650nm laser source perpendicular to the sample. The recorded transmitted optical power as function of detector rotation angle shows a distribution of 21.1% in the 0th order and 23.6% in each +/-1st order (16.1% reflected, 16.6% in higher orders). To our knowledge, this is the first demonstration of diffraction gratings with trapezoidal profile in single crystal diamond. The fabrication process will enable beam splitter gratings of custom defined optical power distribution profiles, while antireflection coatings can increase the efficiency.

  19. Diffraction and single-crystal elastic constants of Inconel 625 at room and elevated temperatures determined by neutron diffraction

    International Nuclear Information System (INIS)

    Wang, Zhuqing; Stoica, Alexandru D.; Ma, Dong; Beese, Allison M.

    2016-01-01

    In this work, diffraction and single-crystal elastic constants of Inconel 625 have been determined by means of in situ loading at room and elevated temperatures using time-of-flight neutron diffraction. Theoretical models proposed by Voigt, Reuss, and Kroner were used to determine single-crystal elastic constants from measured diffraction elastic constants, with the Kroner model having the best ability to capture experimental data. The magnitude of single-crystal elastic moduli, computed from single-crystal elastic constants, decreases and the single crystal anisotropy increases as temperature increases, indicating the importance of texture in affecting macroscopic stress at elevated temperatures. The experimental data reported here are of great importance in understanding additive manufacturing of metallic components as: diffraction elastic constants are required for computing residual stresses from residual lattice strains measured using neutron diffraction, which can be used to validate thermomechanical models of additive manufacturing, while single-crystal elastic constants can be used in crystal plasticity modeling, for example, to understand mechanical deformation behavior of additively manufactured components.

  20. Annealing effect of H+ -implanted single crystal silicon on strain and crystal structure

    International Nuclear Information System (INIS)

    Duo Xinzhong; Liu Weili; Zhang Miao; Gao Jianxia; Fu Xiaorong; Lin Chenglu

    2000-01-01

    The work focuses on the rocking curves of H + -implanted single silicon crystal detected by Four-Crystal X-ray diffractometer. The samples were annealed under different temperatures. Lattice defect in H + -implanted silicon crystals was detected by Rutherford Backscattering Spectrometry. It appeared that H-related complex did not crush until annealing temperature reached about 400 degree C. At that temperature H 2 was formed, deflated in silicon lattice and strained the lattice. But defects did not come into being in large quantity. The lattice was undamaged. When annealing temperature reached 500 degree C, strain induced by H 2 deflation crashed the silicon lattice. A large number of defects were formed. At the same time bubbles in the crystal and blister/flaking on the surface could be observed

  1. Monte Carlo Modelling of Single-Crystal Diffuse Scattering from Intermetallics

    Directory of Open Access Journals (Sweden)

    Darren J. Goossens

    2016-02-01

    Full Text Available Single-crystal diffuse scattering (SCDS reveals detailed structural insights into materials. In particular, it is sensitive to two-body correlations, whereas traditional Bragg peak-based methods are sensitive to single-body correlations. This means that diffuse scattering is sensitive to ordering that persists for just a few unit cells: nanoscale order, sometimes referred to as “local structure”, which is often crucial for understanding a material and its function. Metals and alloys were early candidates for SCDS studies because of the availability of large single crystals. While great progress has been made in areas like ab initio modelling and molecular dynamics, a place remains for Monte Carlo modelling of model crystals because of its ability to model very large systems; important when correlations are relatively long (though still finite in range. This paper briefly outlines, and gives examples of, some Monte Carlo methods appropriate for the modelling of SCDS from metallic compounds, and considers data collection as well as analysis. Even if the interest in the material is driven primarily by magnetism or transport behaviour, an understanding of the local structure can underpin such studies and give an indication of nanoscale inhomogeneity.

  2. Twinning structures in near-stoichiometric lithium niobate single crystals

    International Nuclear Information System (INIS)

    Yao, Shuhua; Chen, Yanfeng

    2010-01-01

    A near-stoichiometric lithium niobate single crystal has been grown by the Czochralski method in a hanging double crucible with a continuous powder supply system. Twins were found at one of the three characteristic growth ridges of the as-grown crystal. The twin structure was observed and analyzed by transmission synchrotron topography. The image shifts ΔX and ΔY in the transmission synchrotron topograph were calculated for the 3 anti 2 anti 12 and 0 anti 222 reflections based on results from high-resolution X-ray diffractometry. It is confirmed that one of the {01 anti 1 anti 2} m planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

  3. Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

    Science.gov (United States)

    Arakere, Nagaraj K.; Swanson, Gregory R.

    2000-01-01

    High Cycle Fatigue (HCF) induced failures in aircraft gas-turbine engines is a pervasive problem affecting a wide range of components and materials. HCF is currently the primary cause of component failures in gas turbine aircraft engines. Turbine blades in high performance aircraft and rocket engines are increasingly being made of single crystal nickel superalloys. Single-crystal Nickel-base superalloys were developed to provide superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys previously used in the production of turbine blades and vanes. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. PWA1493, identical to PWA1480, but with tighter chemical constituent control, is used in the NASA SSME (Space Shuttle Main Engine) alternate turbopump, a liquid hydrogen fueled rocket engine. Objectives for this paper are motivated by the need for developing failure criteria and fatigue life evaluation procedures for high temperature single crystal components, using available fatigue data and finite element modeling of turbine blades. Using the FE (finite element) stress analysis results and the fatigue life relations developed, the effect of variation of primary and secondary crystal orientations on life is determined, at critical blade locations. The most advantageous crystal orientation for a given blade design is determined. Results presented demonstrates that control of secondary and primary crystallographic orientation has the potential to optimize blade design by increasing its resistance to fatigue crack growth without adding additional weight or cost.

  4. Crystal growth, structure analysis and characterisation of 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Sankari, R. Siva, E-mail: sivasankari.sh@act.edu.in [Department of Physics, Agni College of Technology, Thalambur, Chennai-603103 (India); Perumal, Rajesh Narayana [Department of Physics, SSN College of Engineering, Kalavakkam, Chennai-603110 (India)

    2014-04-24

    Single crystal of dielectric material 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid has been grown by slow evaporation solution growth method. The grown crystal was harvested in 25 days. The crystal structure was analyzed by Single crystal X - ray diffraction. UV-vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the dielectric constant was calculated and plotted at all frequencies.

  5. Frictional properties of single crystals HMX, RDX and PETN explosives.

    Science.gov (United States)

    Wu, Y Q; Huang, F L

    2010-11-15

    The frictional properties of single crystals of cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX) and pentaerythritol tetranitrate (PETN) secondary explosives are examined using a sensitive friction machine. The explosive crystals used for the measurements are at least 3.5 mm wide. The friction coefficients between crystals of the same explosive (i.e., HMX on HMX, etc.), crystals of different explosives (i.e., HMX on RDX, etc.), and each explosive and a well-polished gauge steel surface are determined. The frictional surfaces are also studied under an environmental scanning electron microscope (ESEM) to analyze surface microstructural changes under increasing loading forces. The friction coefficients vary considerably with increasing normal loading forces and are particularly sensitive to slider shapes, crystal roughness and the mechanical properties of both the slider and the sample. With increasing loading forces, most friction experiments show surface damage, consisting of grooves, debris, and nano-particles, on both the slider and sample. In some cases, a strong evidence of a localized molten state is found in the central region of the friction track. Possible mechanisms that affect the friction coefficient are discussed based on microscopic observations. Copyright © 2010 Elsevier B.V. All rights reserved.

  6. Mutiple Czochralski growth of silicon crystals from a single crucible

    Science.gov (United States)

    Lane, R. L.; Kachare, A. H.

    1980-01-01

    An apparatus for the Czochralski growth of silicon crystals is presented which is capable of producing multiple ingots from a single crucible. The growth chamber features a refillable crucible with a water-cooled, vacuum-tight isolation valve located between the pull chamber and the growth furnace tank which allows the melt crucible to always be at vacuum or low argon pressure when retrieving crystal or introducing recharge polysilicon feed stock. The grower can thus be recharged to obtain 100 kg of silicon crystal ingots from one crucible, and may accommodate crucibles up to 35 cm in diameter. Evaluation of the impurity contents and I-V characteristics of solar cells fabricated from seven ingots grown from two crucibles reveals a small but consistent decrease in cell efficiency from 10.4% to 9.6% from the first to the fourth ingot made in a single run, which is explained by impurity build-up in the residual melt. The crystal grower thus may offer economic benefits through the extension of crucible lifetime and the reduction of furnace downtime.

  7. The Bauschinger effect in cyclic plasticity of pure aluminium single crystals

    International Nuclear Information System (INIS)

    Alhamany, A.; Chicois, J.; Fougeres, R.; Hamel, A.

    1992-01-01

    This paper is concerned with the study of microscopic mechanisms which control the cyclic deformation of pure aluminium and especially with the analysis of the Bauschinger effect which appears in aluminium single crystals deformed by cyclic straining. Fatigue tests are performed on Al single crystals with the crystal axis parallel to [anti 123] at room temperature, at plastic shear strain amplitudes in the range from 10 -4 to 3x10 -3 . Mechanical saturation is not obtained at any strain level. Instead, a hardening-softening-secondary hardening sequence is found. The magnitude of the Bauschinger effect as the difference between yield stresses in traction and in compression, changes all along the fatigue loop and during the fatigue test. The Bauschinger effect disappears at two points of the fatigue loop, one in the traction part, the other in the compression one. At these points, the Bauschinger effect is inverted. Dislocation arrangement evolutions with fatigue conditions can explain the cyclic behaviour of Al single crystals. An heterogenous dislocation distribution can be observed in the cyclically strained metal: dislocation tangles, long dislocation walls and dislocation cell walls, separated by dislocation poor channels appear in the material as a function of the cycle number. The long range internal stress necessary to ensure the compatibility of deformation between the hard and soft regions controls the observed Bauschinger effect. (orig.)

  8. Schottky junctions on perovskite single crystals: light-modulated dielectric constant and self-biased photodetection

    KAUST Repository

    Shaikh, Parvez Abdul Ajij

    2016-08-16

    Schottky junctions formed between semiconductors and metal contacts are ubiquitous in modern electronic and optoelectronic devices. Here we report on the physical properties of Schottky-junctions formed on hybrid perovskite CH3NH3PbBr3 single crystals. It is found that light illumination can significantly increase the dielectric constant of perovskite junctions by 2300%. Furthermore, such Pt/perovskite junctions are used to fabricate self-biased photodetectors. A photodetectivity of 1.4 × 1010 Jones is obtained at zero bias, which increases to 7.1 × 1011 Jones at a bias of +3 V, and the photodetectivity remains almost constant in a wide range of light intensity. These devices also exhibit fast responses with a rising time of 70 μs and a falling time of 150 μs. As a result of the high crystal quality and low defect density, such single-crystal photodetectors show stable performance after storage in air for over 45 days. Our results suggest that hybrid perovskite single crystals provide a new platform to develop promising optoelectronic applications. © 2016 The Royal Society of Chemistry.

  9. Weak antilocalization in Bi2-x Inx Te3 single crystals

    Science.gov (United States)

    Chi, Hang; Li, Qiang; Uher, Ctirad

    Bi2Te3 has recently been identified as one of the most promising systems with which to realize a three-dimensional topological insulator. However, the bulk, stoichiometric Bi2Te3 single crystals often exhibit p-type metallic electrical conduction due to the BiTe-type antisite defects, which overshadows the contribution of surface states. We have established that, upon group III (indium and/or thallium) doping, the Fermi level of Bi2Te3 can be lifted from the valence band into the band gap, and eventually shifted into the conduction band. Such doping progressively changes the electrical conduction of Bi2-xAxTe3 (A = In, Tl, and x = 0 - 0.30) single crystals from p-type to n-type. This is observed via measurements of both the Hall effect and the Seebeck coefficient performed in the (0001) basal plane in the temperature range of 2 - 300 K. At low levels, the temperature dependent in-plane electrical resistivity maintains its metallic character as the density of holes decreases. Heavier doping content, x = 0.20 (0.10) for In (Tl), drives the electrical resistivity into a prominent non-metallic regime displaying the weak anti-localization type of magnetoresistance at the lowest temperatures for Bi1.80In0.20Te3. At the highest concentration, the samples revert back into the metallic state with electron dominated conduction. Thermal conductivity measurements of Bi2-xAxTe3 single crystals, as examined by the Debye-Callaway phonon conductivity model, reveal a generally stronger point defect scattering of phonons upon doping.

  10. Preparation and characterization of single crystal samples for high-pressure experiments

    Energy Technology Data Exchange (ETDEWEB)

    Farber, D; Antonangeli, D; Aracne, C; Benterou, J

    2005-10-26

    To date, most research utilizing the diamond anvil cell (DAC) has been conducted with polycrystalline samples, thus the results are limited to addressing average bulk properties. However, experiments on single crystals can yield data on a range of orientation dependent properties such as thermal and electrical conductivity, magnetic susceptibility, elasticity and plasticity. Here we report new procedures to produce extremely high-quality metallic single crystal samples of size compatible with DAC experiments in the Mbar range. So far, we have produced samples of zinc, Al{sub 2}O{sub 3}, cobalt, molybdenum and cerium, and have evaluated the quality of the finished samples with white-light interferometry, synchrotron x-ray diffraction and inelastic x-ray scattering.

  11. Raman analysis of gold on WSe2 single crystal film

    International Nuclear Information System (INIS)

    Mukherjee, Bablu; Sun Leong, Wei; Li, Yida; Thong, John T L; Gong, Hao; Sun, Linfeng; Xiang Shen, Ze; Simsek, Ergun

    2015-01-01

    Synthesis and characterization of high-quality single-crystal tungsten diselenide (WSe 2 ) films on a highly insulating substrate is presented. We demonstrate for the first time that the presence of gold (Au) nanoparticles in the basal plane of a WSe 2 film can enhance its Raman scattering intensity. The experimentally observed enhancement ratio in the Raman signal correlates well with the simulated electric field intensity using both three-dimensional electromagnetic software and theoretical calculation considering layered medium coupled-dipole approximation (LM-CDA). This work serves as a guideline for the use of Au nanoparticles on WSe 2 single-crystal thin films for surface enhanced Raman scattering (SERS) applications in the future. (paper)

  12. Single crystal studies of platinum alloys for oxygen reduction electrodes

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese

    the behavior of bulk single crystals, deposition of yttrium and gadolinium on a clean, annealed Pt(111) crystal were investigated in UHV. PtxY and PtxGd alloys terminated with a single atomic layer of platinum were formed after annealing to 500 °C in UHV. These alloys will be referred to as Y/Pt(111) and Gd.......89×1.89 structure, and the Gd/Pt(111) sample has formed a 1.90×1.90 structure compared to pure platinum. From the XPS measurements, it is most likely that alloys with the Pt5Y and Pt5Gd stoichiometry have been formed. The reactivity of the surfaces were probed using TPD. These measurements showed sharp desorption...

  13. Frequency dispersion of flexoelectricity in PMN-PT single crystal

    Science.gov (United States)

    Shu, Longlong; Wan, Meiqian; Jiang, Xiaoning; Li, Fei; Zhou, Naigen; Huang, Wenbin; Wang, Tong

    2017-01-01

    The mechanism of the recent discovered enhanced flexoelectricity in perovskites has brought about numerous controversies which still remain unclear. In this paper, we employed relaxor 0.68Pb(Mg2/3Nb1/3)O3 -0.32PbTiO3 (PMN-PT) single crystals for study. The observed flexoelectric coefficient in PMN-PT single crystal reaches up to 100 μ C /m , and in a relative low frequency range, exhibits an abnormal frequency dispersion phenomenon with a positive relationship with frequency. Such frequency dispersion regulation is different from the normal relaxation behavior that usually occur a time delay, and hence proves the flexoelectricity acting more like bulk effect rather than surface effect in this kind of materials.

  14. Frequency dispersion of flexoelectricity in PMN-PT single crystal

    Directory of Open Access Journals (Sweden)

    Longlong Shu

    2017-01-01

    Full Text Available The mechanism of the recent discovered enhanced flexoelectricity in perovskites has brought about numerous controversies which still remain unclear. In this paper, we employed relaxor 0.68Pb(Mg2/3Nb1/3O3 -0.32PbTiO3 (PMN-PT single crystals for study. The observed flexoelectric coefficient in PMN-PT single crystal reaches up to 100 μC/m, and in a relative low frequency range, exhibits an abnormal frequency dispersion phenomenon with a positive relationship with frequency. Such frequency dispersion regulation is different from the normal relaxation behavior that usually occur a time delay, and hence proves the flexoelectricity acting more like bulk effect rather than surface effect in this kind of materials.

  15. Mechanisms for tertiary creep of single crystal superalloy

    Science.gov (United States)

    Staroselsky, Alexander; Cassenti, Brice

    2008-12-01

    During the thermal-mechanical loading of high temperature single crystal turbine components, all three creep—stages: primary, secondary and tertiary, manifest themselves and, hence, none of them can be neglected. The development of a creep law that includes all three stages is especially important in the case of non-homogeneous thermal loading of the component where significant stress redistribution and relaxation will result. Thus, local creep analysis is crucial for proper design of damage tolerant airfoils. We have developed a crystallographic-based constitutive model and fully coupled it with damage kinetics. The model extends existing approaches for cyclic and thermal-cyclic loading of anisotropic elasto-viscoplastic deformation behavior and damage kinetics of single-crystal materials, allowing prediction of tertiary creep and failure initiation of high temperature components. Our damage model bridges the gap between dislocation dynamics and the continuum mechanics scales and can be used to represent tertiary as well as primary and secondary creep.

  16. Scintillation activity in an unirradiated single crystal of 3-hydroxyxanthine

    International Nuclear Information System (INIS)

    Cooke, D.W.; Jahan, M.S.; Alexander, C. Jr.

    1976-01-01

    A method of growing single crystals (approximately 4mm long) of 3-hydroxyxanthine is described. Observed scintillations occurring in an unirradiated single crystal of this potent oncogen as the temperature is lowered from 300 to 90 K are shown. It was found that these scintillations occur upon heating or cooling and do not diminish in activity as the number of heating and cooling cycles increase. It was found that a short duration u.v. exposure would terminate the scintillation activity and various attempts (such as annealing and pressure changes) to rejuvenate them were unsuccessful. With these observations in mind speculation is made concerning the mechanisms associated with the production of purine N-oxide derivatives. (U.K.)

  17. A Rh III-N-heterocyclic carbene complex from metal-metal singly ...

    Indian Academy of Sciences (India)

    Metal-metal singly bonded [Rh2(CO)4(acac)2][OTf]2 (1) has been synthesized and characterized by spectroscopic and analytical techniques. A density functional theory ... to each rhodium. This work demonstrates the general utility of the metal-metal bonded compounds for the easy synthesis of metal-NHC compounds.

  18. Influence of solvents on the habit modification of alpha lactose monohydrate single crystals

    Science.gov (United States)

    Parimaladevi, P.; Srinivasan, K.

    2013-02-01

    Restricted evaporation of solvent method was adopted for the growth of alpha lactose monohydrate single crystals from different solvents. The crystal habits of grown crystals were analysed. The form of crystallization was confirmed by powder x-ray diffraction analysis. Thermal behaviour of the grown crystals was studied by using differential scanning calorimetry.

  19. X-ray diffraction analysis of some single crystals with special properties

    Energy Technology Data Exchange (ETDEWEB)

    Antipin, M.Yu. [Russian Academy of Sciences, Moscow (Russian Federation). Inst. of Organoelement Compounds

    1996-12-31

    New possibilities of the X-ray diffraction method for studies of some single crystals with special physical properties are analyzed. It is demonstrated that wide range temperature diffraction data, special single crystals experiments under strong electric fields, and charge density analysis in crystals might enrich the knowledge on the nature of the crystal properties.

  20. A macroscopic model for magnetic shape-memory single crystals

    Czech Academy of Sciences Publication Activity Database

    Bessoud, A. L.; Kružík, Martin; Stefanelli, U.

    2013-01-01

    Roč. 64, č. 2 (2013), s. 343-359 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GAP201/10/0357 Institutional support: RVO:67985556 Keywords : magneto striction * evolution Subject RIV: BA - General Mathematics Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-a macroscopic model for magnetic shape-memory single crystals.pdf

  1. Ion implantation induced blistering of rutile single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Bing-Xi [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Jiao, Yang [College of Physics and Electronics, Shandong Normal University, Jinan, Shandong 250100 (China); Guan, Jing [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Wang, Lei [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (China)

    2015-07-01

    The rutile single crystals were implanted by 200 keV He{sup +} ions with a series fluence and annealed at different temperatures to investigate the blistering behavior. The Rutherford backscattering spectrometry, optical microscope and X-ray diffraction were employed to characterize the implantation induced lattice damage and blistering. It was found that the blistering on rutile surface region can be realized by He{sup +} ion implantation with appropriate fluence and the following thermal annealing.

  2. Single crystal analyser accepting the narrowest neutron angular profile

    International Nuclear Information System (INIS)

    Abbas, Sohrab; Wagh, Apoorva G.; Strobl, Markus; Treimer, Wolfgang

    2007-01-01

    We have designed, fabricated and tested a novel silicon single crystal analyser. It accepts a 0.21 arcsec (FWHM) wide angular profile of a monochromatic 5.24 A neutron beam, in agreement with its design. This is the narrowest and sharpest acceptance angular profile attained to date in the world with a neutron analyser. This analyser will facilitate SUSANS experiments probing wave vector transfers Q ∼ 10 -6 A -1 . (author)

  3. Blue luminescence in ZnO single crystals, nanopowders, ceramic

    International Nuclear Information System (INIS)

    LGrigorjeva; Millers, D; Pankratov, V; Kalinko, A; Grabis, J; Monty, C

    2007-01-01

    The luminescence spectra and luminescence decay processes were studied in a ZnO single crystal, nanopowders and ceramic at liquid helium and room temperature under VUV synchrotron radiation as well as under pulsed laser excitation. The exciton-exciton and exciton-multiphonon processes were compared in different ZnO nanopowders (commercial powder, powders obtained by vaporization-condensation technique) and ceramic. The possibility of luminescence decay time modification by Al 3+ doping was shown

  4. Application of GRID to Foreign Atom Localization in Single Crystals.

    Science.gov (United States)

    Karmann, A; Wesch, W; Weber, B; Börner, H G; Jentschel, M

    2000-01-01

    The application of GRID (Gamma Ray Induced Doppler broadening) spectroscopy to the localization of foreign atoms in single crystals is demonstrated on erbium in YAP. By the investigation of the Doppler broadened secondary γ line for two crystalline directions, the Er was determined to be localized on the Y site. Conditions for the nuclear parameters of the impurity atoms used for the application of GRID spectroscopy are discussed.

  5. Study of diffusion of Ag in Cu single crystals

    CERN Document Server

    Wang, R

    2002-01-01

    4.0 MeV sup 7 Li sup + sup + RBS and AES were used for investigations of thermal diffusion of Ag in Cu single crystals. The annealing of samples was carried out in vacuum in the temperature range from 498 to 613 K. The element depth concentration profiles transformed from RBS spectra indicate that the diffusion of Ag into Cu is a typical volume diffusion. The Arrhenius parameters corresponding to the diffusion were obtained.

  6. Luminescence properties of piezoelectric single crystals with langasite structure

    International Nuclear Information System (INIS)

    Itoh, Minoru; Takagi, Shinya; Kitaura, Mamoru; Fujita, Masami; Endo, Naoyuki

    2007-01-01

    Luminescence properties of single crystals of langasite (LGS), langataite (LGT), and langanite (LGN) are investigated at 5 K by using synchrotron radiation as an exciting light source. Two emission bands are observed at 420 and 500 nm in LGS, at 410 and 460 nm in LGT, and at 500 and 535 nm in LGN. The origin of these bands is discussed by reference to the electronic structure of LGS

  7. Growth and characterisation of lead iodide single crystals

    International Nuclear Information System (INIS)

    Tonn, Justus

    2012-01-01

    The work in hand deals with the growth and characterisation of lead iodide (PbI 2 ) single crystals. PbI 2 is regarded as a promising candidate for low-noise X- and gamma ray detection at room temperature. Its benefits if compared to conventional materials like HgI 2 , CdTe, Si, or GaAs lie in a band gap energy of 2.32 eV, an excellent ability to absorb radiation, and a high electrical resistivity. For an application of PbI 2 as detector material the growth and characterisation of crystals with high chemical and structural quality is extremely challenging. In light of this, the effectiveness of zone purification of the PbI 2 used for crystal growth was confirmed by spectroscopic analysis. Furthermore, technological aspects during processing of purified PbI 2 were investigated. With the help of thermal analysis, a correlation was found between the degree of exposing the source material to oxygen from the air and the structural quality of the resulting crystals. A hydrogen treatment was applied to PbI 2 as an effective method for the removal of oxidic pollutions, which resulted in a significant reduction of structural defects like polytypic growth and stress-induced cracking. The growth of PbI 2 single crystals was, among others, carried out by the Bridgman-Stockbarger method. In this context, much effort was put on the investigation of influences resulting from the design and preparation of ampoules. For the first time, crystal growth of PbI 2 was also carried out by the Czochralski method. If compared to the Bridgman-Stockbarger method, the Czochralski technique allowed a significantly faster growth of nearly crack-free crystals with a reproducible predetermination of crystallographic orientation. By an optimised sample preparation of PbI 2 , surface orientations perpendicular to the usually cleaved (0001) plane were realised. It is now possible to determine the material properties along directions which were so far not accessible. Thus, for example, the ratio of

  8. SINGLE-CRYSTAL SAPPHIRE OPTICAL FIBER SENSOR INSTRUMENTATION

    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May

    2002-09-10

    In this research program, several optical instruments for high temperature measurement based on single crystal sapphire material are introduced and tested for real-time, reliable, long-term monitoring of temperatures for coal gasifier. These are sapphire fiber extrinsic Fabry-Perot interferometric (EFPI) sensor; intensity-measurement based polarimetric sapphire sensor and broadband polarimetric differential interferometric (BPDI) sapphire sensor. Based on current evaluation and analysis of the experimental results, the broadband polarimetric differential interferometric (BPDI) sensor system was chosen for further prototype instrumentation development. This approach is based on the self-calibrating measurement of optical path differences (OPD) in a single-crystal sapphire disk, which is a function of both the temperature dependent birefringence and the temperature dependent dimensional changes. The BPDI sensor system extracts absolute temperature information by absolute measurement of phase delays. By encoding temperature information in optical spectrum instead of optical intensity, this sensor guarantees its relative immunity to optical source power fluctuations and fiber losses, thus providing a high degree of long-term measurement stability which is highly desired in industrial applications. The entire prototype for BPDI system including the single crystal sapphire probe, zirconia prism, alumina extension tube, optical components and signal processing hardware and software have shown excellent performance in the laboratory experiments shown in this report.

  9. Interfacial dislocation motion and interactions in single-crystal superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Liu, B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Raabe, D. [Max Planck Inst. fur Eisenforshung. Dusseldorf (Germany); Roters, F. [Max Planck Inst. fur Eisenforshung. Dusseldorf (Germany); Arsenlis, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-01

    The early stage of high-temperature low-stress creep in single-crystal superalloys is characterized by the rapid development of interfacial dislocation networks. Although interfacial motion and dynamic recovery of these dislocation networks have long been expected to control the subsequent creep behavior, direct observation and hence in-depth understanding of such processes has not been achieved. Incorporating recent developments of discrete dislocation dynamics models, we simulate interfacial dislocation motion in the channel structures of single-crystal superalloys, and investigate how interfacial dislocation motion and dynamic recovery are affected by interfacial dislocation interactions and lattice misfit. Different types of dislocation interactions are considered: self, collinear, coplanar, Lomer junction, glissile junction, and Hirth junction. The simulation results show that strong dynamic recovery occurs due to the short-range reactions of collinear annihilation and Lomer junction formation. The misfit stress is found to induce and accelerate dynamic recovery of interfacial dislocation networks involving self-interaction and Hirth junction formation, but slow down the steady interfacial motion of coplanar and glissile junction forming dislocation networks. The insights gained from these simulations on high-temperature low-stress creep of single-crystal superalloys are also discussed.

  10. Point defects and electric compensation in gallium arsenide single crystals

    International Nuclear Information System (INIS)

    Kretzer, Ulrich

    2007-01-01

    In the present thesis the point-defect budget of gallium arsenide single crystals with different dopings is studied. It is shown, in which way the concentration of the single point defects depende on the concentration of the dopants, the stoichiometry deviation, and the position of the Fermi level. For this serve the results of the measurement-technical characterization of a large number of samples, in the fabrication of which these parameters were directedly varied. The main topic of this thesis lies in the development of models, which allow a quantitative description of the experimentally studied electrical and optical properties of gallium arsenide single crystals starting from the point-defect concentrations. Because from point defects charge carriers can be set free, their concentration determines essentially the charge-carrier concentration in the bands. In the ionized state point defects act as scattering centers for free charge carriers and influence by this the drift mobility of the charge carriers. A thermodynamic modeling of the point-defect formation yields statements on the equilibrium concentrations of the point defects in dependence on dopant concentration and stoichiometry deviation. It is show that the electrical properties of the crystals observed at room temperature result from the kinetic suppression of processes, via which the adjustment of a thermodynamic equilibrium between the point defects is mediated [de

  11. Effect of pressure on electrical resistance of WSe single crystal

    Indian Academy of Sciences (India)

    Effect of pressure on electrical resistance of WSe. 2 ... Pressure dependence of resistance; transition metal dichalcogenides; WSe2 single crys- ... friction and wear. With lamellar solids such as TMDCs, shearing takes place more easily when loads are high. So lamellar solids are well-suited to extreme pressure lubrication.

  12. Diamond turning of Si and Ge single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Blake, P.; Scattergood, R.O.

    1988-12-01

    Single-point diamond turning studies have been completed on Si and Ge crystals. A new process model was developed for diamond turning which is based on a critical depth of cut for plastic flow-to-brittle fracture transitions. This concept, when combined with the actual machining geometry for single-point turning, predicts that {open_quotes}ductile{close_quotes} machining is a combined action of plasticity and fracture. Interrupted cutting experiments also provide a meant to directly measure the critical depth parameter for given machining conditions.

  13. Method for thermal processing alumina-enriched spinel single crystals

    Science.gov (United States)

    Jantzen, Carol M.

    1995-01-01

    A process for age-hardening alumina-rich magnesium aluminum spinel to obtain the desired combination of characteristics of hardness, clarity, flexural strength and toughness comprises selection of the time-temperature pair for isothermal heating followed by quenching. The time-temperature pair is selected from the region wherein the precipitate groups have the characteristics sought. The single crystal spinel is isothermally heated and will, if heated long enough pass from its single phase through two pre-precipitates and two metastable precipitates to a stable secondary phase precipitate within the spinel matrix. Quenching is done slowly at first to avoid thermal shock, then rapidly.

  14. Grating coupler on single-crystal lithium niobate thin film

    Science.gov (United States)

    Chen, Zhihua; Wang, Yiwen; Jiang, Yunpeng; Kong, Ruirui; Hu, Hui

    2017-10-01

    The grating coupler on single-crystal lithium niobate thin film (lithium niobate on insulator, LNOI) was designed. A bottom reflector was added in the LNOI material to improve the coupling efficiency. The grating structure was optimized by FDTD method. The material parameters such as layer thickness of lithium niobate thin film, SiO2 thickness were discussed with respect to the coupling efficiency, and the tolerances of grating period, etch depth, groove width and fiber position were also studied systematically. The simulated maximum coupling efficiency from a grating coupler with (without) bottom reflector to a single-mode fiber is about 78% (40%) in z-cut LNOI for TE polarization.

  15. Single mode dye-doped polymer photonic crystal lasers

    DEFF Research Database (Denmark)

    Christiansen, Mads Brøkner; Buss, Thomas; Smith, Cameron

    2010-01-01

    Dye-doped polymer photonic crystal (PhC) lasers fabricated by combined nanoimprint and photolithography are studied for their reproducibility and stability characteristics. We introduce a phase shift in the PhC lattice that substantially improves the yield of single wavelength emission. Single mode...... emission and reproducibility of laser characteristics are important if the lasers are to be mass produced in, e. g., optofluidic sensor chips. The fabrication yield is above 85% with highly reproducible wavelengths (within 0.5%), and the temperature dependence on the wavelength is found to be -0.045 or -0...

  16. In-situ Studies of the Reactions of Bifunctional and Heterocyclic Molecules over Noble Metal Single Crystal and Nanoparticle Catalysts Studied with Kinetics and Sum-Frequency Generation Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kliewer, Christopher J. [Univ. of California, Berkeley, CA (United States)

    2009-06-30

    Sum frequency generation surface vibrational spectroscopy (SFG-VS) in combination with gas chromatography (GC) was used in-situ to monitor surface bound reaction intermediates and reaction selectivities for the hydrogenation reactions of pyrrole, furan, pyridine, acrolein, crotonaldehyde, and prenal over Pt(111), Pt(100), Rh(111), and platinum nanoparticles under Torr reactant pressures and temperatures of 300K to 450K. The focus of this work is the correlation between the SFG-VS observed surface bound reaction intermediates and adsorption modes with the reaction selectivity, and how this is affected by catalyst structure and temperature. Pyrrole hydrogenation was investigated over Pt(111) and Rh(111) single crystals at Torr pressures. It was found that pyrrole adsorbs to Pt(111) perpendicularly by cleaving the N-H bond and binding through the nitrogen. However, over Rh(111) pyrrole adsorbs in a tilted geometry binding through the {pi}-aromatic orbitals. A surface-bound pyrroline reaction intermediate was detected over both surfaces with SFG-VS. It was found that the ring-cracking product butylamine is a reaction poison over both surfaces studied. Furan hydrogenation was studied over Pt(111), Pt(100), 10 nm cubic platinum nanoparticles and 1 nm platinum nanoparticles. The product distribution was observed to be highly structure sensitive and the acquired SFG-VS spectra reflected this sensitivity. Pt(100) exhibited more ring-cracking to form butanol than Pt(111), while the nanoparticles yielded higher selectivities for the partially saturated ring dihydrofuran. Pyridine hydrogenation was investigated over Pt(111) and Pt(100). The α-pyridyl surface adsorption mode was observed with SFG-VS over both surfaces. 1,4-dihydropyridine was seen as a surface intermediate over Pt(100) but not Pt(111). Upon heating the surfaces to 350K, the adsorbed pyridine changes to a flat-lying adsorption mode. No evidence was found for the pyridinium cation. The hydrogenation of the

  17. Consolidation of the optoelectronic properties of CH3NH3PbBr3 perovskite single crystals.

    Science.gov (United States)

    Wenger, Bernard; Nayak, Pabitra K; Wen, Xiaoming; Kesava, Sameer V; Noel, Nakita K; Snaith, Henry J

    2017-09-19

    Ultralow trap densities, exceptional optical and electronic properties have been reported for lead halide perovskites single crystals; however, ambiguities in basic properties, such as the band gap, and the electronic defect densities in the bulk and at the surface prevail. Here, we synthesize single crystals of methylammonium lead bromide (CH 3 NH 3 PbBr 3 ), characterise the optical absorption and photoluminescence and show that the optical properties of single crystals are almost identical to those of polycrystalline thin films. We observe significantly longer lifetimes and show that carrier diffusion plays a substantial role in the photoluminescence decay. Contrary to many reports, we determine that the trap density in CH 3 NH 3 PbBr 3 perovskite single crystals is 10 15  cm -3 , only one order of magnitude lower than in the thin films. Our enhanced understanding of optical properties and recombination processes elucidates ambiguities in earlier reports, and highlights the discrepancies in the estimation of trap densities from electronic and optical methods.Metal halide perovskites for optoelectronic devices have been extensively studied in two forms: single-crystals or polycrystalline thin films. Using spectroscopic approaches, Wenger et al. show that polycrystalline thin films possess similar optoelectronic properties to single crystals.

  18. Self-templated synthesis of single-crystal and single-domain ferroelectric nanoplates

    KAUST Repository

    Chao, Chunying

    2012-08-15

    Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single-domain structures, whose polarization areas can be manipulated by writing and reading. The nanoplates are also effective catalysts for the oxidation of carbon monoxide. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Computational Modeling of Photonic Crystal Microcavity Single-Photon Emitters

    Science.gov (United States)

    Saulnier, Nicole A.

    Conventional cryptography is based on algorithms that are mathematically complex and difficult to solve, such as factoring large numbers. The advent of a quantum computer would render these schemes useless. As scientists work to develop a quantum computer, cryptographers are developing new schemes for unconditionally secure cryptography. Quantum key distribution has emerged as one of the potential replacements of classical cryptography. It relics on the fact that measurement of a quantum bit changes the state of the bit and undetected eavesdropping is impossible. Single polarized photons can be used as the quantum bits, such that a quantum system would in some ways mirror the classical communication scheme. The quantum key distribution system would include components that create, transmit and detect single polarized photons. The focus of this work is on the development of an efficient single-photon source. This source is comprised of a single quantum dot inside of a photonic crystal microcavity. To better understand the physics behind the device, a computational model is developed. The model uses Finite-Difference Time-Domain methods to analyze the electromagnetic field distribution in photonic crystal microcavities. It uses an 8-band k · p perturbation theory to compute the energy band structure of the epitaxially grown quantum dots. We discuss a method that combines the results of these two calculations for determining the spontaneous emission lifetime of a quantum dot in bulk material or in a microcavity. The computational models developed in this thesis are used to identify and characterize microcavities for potential use in a single-photon source. The computational tools developed are also used to investigate novel photonic crystal microcavities that incorporate 1D distributed Bragg reflectors for vertical confinement. It is found that the spontaneous emission enhancement in the quasi-3D cavities can be significantly greater than in traditional suspended slab

  20. Shock-induced optical emission from yttria-doped cubic zircon single crystal: crystal orientation effects

    Science.gov (United States)

    Cao, Xiuxia; Zhou, Xianming; Meng, Chuanmin

    2015-06-01

    The shock-induced optical emission from yttria (Y2O3) -doped cubic zircon single crystal ( and crystal orientations) under the pressure range from 30 to 52 GPa was measured by the time-resolved 40-channel optical pyrometer at discrete wavelengths ranging from 400 to 800 nm. Clear periodic fluctuation was observed in spectral radiance history of ZrO2, while a noise fluctuation was found in ZrO2. The gray-body function was used to fit the spectral radiance histories. We found that the obtained apparent temperature varied slightly with time, but the emissivity history showed a fluctuate increase with time. Moreover, all the temperature data were independent of shock stress and were well above the calculated Lindeman melting temperature. Present result suggests that the optical emission relates to the shock-induced local hot spots, and its crystal orientation effect is attributed to the different dynamic deformation response between and ZrO2.

  1. Growth of high quality bulk size single crystals of inverted solubility lithium sulphate monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Silambarasan, A.; Rajesh, P., E-mail: rajeshp@ssn.edu.in; Ramasamy, P. [Center for Crystal Growth, SSN College of Engineering, Kalavakkam-603110 (India)

    2015-06-24

    The paper summarizes the processes of growing large lithium sulfate monohydrate (LSMH) single crystals. We have established a procedure to grow high quality bulk size single crystals of inverted solubility LSMH by a newly developed unidirectional crystallization technique called the Sankeranarayenan - Ramasamy (SR) method. The convective flow of crystal growth processes from solution and the conditions of growing crystals of various aspects were discussed. Good quality LSMH single crystal is grown of the size 20 mmX80 mm without cracks, localized-defects and inclusions. The as-grown crystals are suitable for piezoelectric and nonlinear optical applications.

  2. Coupling of single nitrogen-vacancy defect centers in diamond nanocrystals to optical antennas and photonic crystal cavities

    Energy Technology Data Exchange (ETDEWEB)

    Wolters, Janik; Kewes, Guenter; Schell, Andreas W.; Aichele, Thomas; Benson, Oliver [Humboldt-Universitaet zu Berlin, Institut fuer Physik, Berlin (Germany); Nuesse, Nils; Schoengen, Max; Loechel, Bernd [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany); Hanke, Tobias; Leitenstorfer, Alfred [Department of Physics and Center for Applied Photonics, Universitaet Konstanz, Konstanz (Germany); Bratschitsch, Rudolf [Department of Physics and Center for Applied Photonics, Universitaet Konstanz, Konstanz (Germany); Technische Universitaet Chemnitz, Institut fuer Physik, Chemnitz (Germany)

    2012-05-15

    We demonstrate the ability to modify the emission properties and enhance the interaction strength of single-photon emitters coupled to nanophotonic structures based on metals and dielectrics. Assembly of individual diamond nanocrystals, metal nanoparticles, and photonic crystal cavities to meta-structures is introduced. Experiments concerning controlled coupling of single defect centers in nanodiamonds to optical nanoantennas made of gold bowtie structures are reviewed. By placing one and the same emitter at various locations with high precision, a map of decay rate enhancements was obtained. Furthermore, we demonstrate the formation of a hybrid cavity quantum electrodynamics system in which a single defect center is coupled to a single mode of a gallium phosphite photonic crystal cavity. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. Crystal structures of Dronpa complexed with quenchable metal ions provide insight into metal biosensor development.

    Science.gov (United States)

    Kim, In Jung; Kim, Sangsoo; Park, Jeahyun; Eom, Intae; Kim, Sunam; Kim, Jin-Hong; Ha, Sung Chul; Kim, Yeon Gil; Hwang, Kwang Yeon; Nam, Ki Hyun

    2016-09-01

    Many fluorescent proteins (FPs) show fluorescence quenching by specific metal ions, which can be applied towards metal biosensor development. In this study, we investigated the significant fluorescence quenching of Dronpa by Co(2+) and Cu(2+) ions. Crystal structures of Co(2+) -, Ni(2+) - and Cu(2+) -bound Dronpa revealed previously unseen, unique, metal-binding sites for fluorescence quenching. These metal ions commonly interact with surface-exposed histidine residues (His194-His210 and His210-His212), and interact indirectly with chromophores. Structural analysis of the Co(2+) - and Cu(2+) - binding sites of Dronpa provides insight into FP-based metal biosensor engineering. © 2016 Federation of European Biochemical Societies.

  4. Large pyramid shaped single crystals of BiFeO{sub 3} by solvothermal synthesis method

    Energy Technology Data Exchange (ETDEWEB)

    Sornadurai, D.; Ravindran, T. R.; Paul, V. Thomas; Sastry, V. Sankara [Condensed Matter Physics Division, Materials Science Group, Physical Metallurgy Division, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, Tamil Nadu (India); Condensed Matter Physics Division, Materials Science Group (India)

    2012-06-05

    Synthesis parameters are optimized in order to grow single crystals of multiferroic BiFeO{sub 3}. 2 to 3 mm size pyramid (tetrahedron) shaped single crystals were successfully obtained by solvothermal method. Scanning electron microscopy with EDAX confirmed the phase formation. Raman scattering spectra of bulk BiFeO3 single crystals have been measured which match well with reported spectra.

  5. On size-effects in single crystal wedge indentation

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2012-01-01

    Wedge indentation in single crystals is studied numerically, with emphasis on size-effects on the micron scale. Under the assumption of a perfectly sharp wedge indenter, a linear relationship between indentation force and indentation depth would be predicted from conventional theories lacking con...... are included in the model due to the addition of gradient terms in both the free energy as well as through a dissipation potential. The finite element solution method is presented, which delivers the slip-rate field and the velocity-field based on two minimum principles.......Wedge indentation in single crystals is studied numerically, with emphasis on size-effects on the micron scale. Under the assumption of a perfectly sharp wedge indenter, a linear relationship between indentation force and indentation depth would be predicted from conventional theories lacking...... constitutive length parameters to model sizeeffects. The problem is studied numerically using a strain gradient crystal visco-plasticity theory formulated along the lines proposed by Fleck andWillis (2009). It is shown how the force-indentation relation is affected due to size-dependence in the material. Size-effects...

  6. ESR Study on Irradiated Ascorbic Acid Single Crystal

    International Nuclear Information System (INIS)

    Tuner, H.; Korkmaz, M.

    2007-01-01

    Food irradiation is a 'cold' process for preserving food and has been established as a safe and effective method of food processing and preservation after more than five decades of research and development. The small temperature increase, absence of residue and effectiveness of treatment of pre-packed food are the main advantages. In food industry, ascorbic acid and its derivatives are frequently used as antioxidant agents. However, irradiation is expected to produces changes in the molecules of food components and of course in the molecules of the agents added as preservation agents such as ascorbic acid. These changes in the molecular structures could cause decreases in the antioxidant actions of these agents. Therefore, the radiation resistance of these agents must be known to determine the amount of radiation dose to be delivered. Electron spin resonance (ESR) is one of the leading methods for identification of intermediates produced after irradiation. ESR spectrum of irradiated solid powder of ascorbic acid is fairly complex and determinations of involved radical species are difficult. In the present work, single crystals of ascorbic acid irradiated by gamma radiation are used to determine molecular structures of radiation induced radicalic species and four radicalic species related in pair with P21 crystal symmetry are found to be responsible from experimental ESR spectrum of gamma irradiated single crystal of ascorbic acid

  7. Plastic deformation of Ni3Nb single crystals

    International Nuclear Information System (INIS)

    Hagihara, Kouji; Nakano, Takayoshi; Umakoshi, Yukichi

    1999-01-01

    Temperature dependence of yield stress and operative slip system in Ni 3 Nb single crystals with the D0 a structure was investigated in comparison with that in an analogous L1 2 structure. Compression tests were performed at temperatures between 20 C and 1,200 C for specimens with loading axes perpendicular to (110), (331) and (270). (010)[100] slip was operative for three orientations, while (010)[001] slip for (331) and [211] twin for (270) orientations were observed, depending on deformation temperature. The critical resolved shear stress (CRSS) for the (010)[100] slip anomaly increased with increasing temperature showing a maximum peak between 400 C and 800 C depending on crystal orientation. The CRSS showed orientation dependence and no significant strain rate dependence in the temperature range for anomalous strengthening. The [100] dislocations with a screw character were aligned on the straight when the anomalous strengthening occurred. The anomalous strengthening mechanism for (010)[100] slip in Ni 3 Nb single crystals is discussed on the basis of a cross slip model which has been widely accepted for some L1 2 -type compounds

  8. Micromechanical Behavior of Single-Crystal Superalloy with Different Crystal Orientations by Microindentation

    Directory of Open Access Journals (Sweden)

    Jinghui Li

    2015-01-01

    Full Text Available In order to investigate the anisotropic micromechanical properties of single-crystal nickel-based superalloy DD99 of four crystallographic orientations, (001, (215, (405, and (605, microindentation test (MIT was conducted with different loads and loading velocities by a sharp Berkovich indenter. Some material parameters reflecting the micromechanical behavior of DD99, such as microhardness H, Young’s modulus E, yield stress σy, strain hardening component n, and tensile strength σb, can be obtained from load-displacement relations. H and E of four different crystal planes evidently decrease with the increase of h. The reduction of H is due to dislocation hardening while E is related to interplanar spacing and crystal variable. σy of (215 is the largest among four crystal planes, followed by (605, and (001 has the lowest value. n of (215 is the lowest, followed by (605, and that of (001 is the largest. Subsequently, a simplified elastic-plastic material model was employed for 3D microindentation simulation of DD99 with various crystal orientations. The simulation results agreed well with experimental, which confirmed the accuracy of the simplified material model.

  9. Crystal growth and optical properties of Sm:CaNb2O6 single crystal

    International Nuclear Information System (INIS)

    Di Juqing; Xu Xiaodong; Xia Changtai; Zeng Huidan; Cheng Yan; Li Dongzhen; Zhou Dahua; Wu Feng; Cheng Jimeng; Xu Jun

    2012-01-01

    Highlights: ► Sm:CaNb 2 O 6 single crystal was grown by the Czochralski method. ► Thermal expansion coefficients and J–O parameters were calculated. ► We found that this crystal had high quantum efficiency of 97%. - Abstract: Sm:CaNb 2 O 6 single crystal has been grown by the Czochralski method. Its high-temperature X-ray powder diffraction, optical absorption, emission spectroscopic as well as lifetime have been studied. Thermal expansion coefficients (α), J–O parameters (Ω i ), radiative lifetime (τ rad ), branching ratios (β) and stimulated emission cross-sections (σ e ) were calculated. The quantum efficiency (η) was calculated to be 97%. The intense peak emission cross section at 610, 658 nm were calculated to be 2.40 × 10 −21 , 2.42 × 10 −21 cm 2 . These results indicate that Sm:CaNb 2 O 6 crystal has potential use in visible laser and photonic devices area.

  10. Crystal growth and luminescence properties of Pr-doped LuLiF4 single crystal

    International Nuclear Information System (INIS)

    Sugiyama, Makoto; Yanagida, Takayuki; Yokota, Yuui; Kurosawa, Shunsuke; Fujimoto, Yutaka; Yoshikawa, Akira

    2013-01-01

    0.1, 1, and 3% Pr (with respect to Lu) doped LuLiF 4 (Pr:LuLiF 4 ) single crystals were grown by the micro-pulling-down (μ-PD) method. Transparency of the grown crystals was higher than 70% in the visible wavelength region with some absorption bands due to Pr 3+ 4f-4f transitions. Intense absorption bands related with the Pr 3+ 4f-5d transitions were observed at 190 and 215 nm. In radioluminescence spectra, Pr 3+ 5d-4f emissions were observed at 220, 240, 340, and 405 nm. In the pulse height spectra recorded under 137 Cs γ-ray excitation, the Pr 3% doped sample showed the highest light yield of 2050 photons/MeV and the scintillation decay time of it exhibited 23 and 72 ns also excited by 137 Cs γ-ray. -- Highlights: ► 0.1, 1, and 3% Pr-doped LuLiF 4 single crystals were grown by the μ-PD method. ► Pr 3+ 5d-4f emission peaks appeared at 220, 240, 340, and 405 nm ► The Pr 3%:LuLiF 4 crystal showed the highest light yield of 2050 photons/MeV

  11. Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

    International Nuclear Information System (INIS)

    Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

    2006-01-01

    This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

  12. Conoscopic study of strontium-barium niobate single crystals

    Science.gov (United States)

    Kolesnikov, Aleksandr; Grechishkin, Rostislav; Malyshkina, Olga; Malyshkin, Yury; Dec, Jan; Łukasiewicz, Tadeusz; Ivanova, Aleksandra

    2013-12-01

    Optically transparent single crystals of strontium-barium niobate, SrxBa1-xNb2O6, of different compositions (x = 0.26...0.7) were examined with the aid of conoscopic light interference figures. A regular change of the isochrome concentric ring number and diameters consistent with the temperature variation of the value of birefringence is demonstrated by direct observations of polar cuts of optically uniaxial samples. Anomalous violations of the conventional (uniaxial) interference patterns occur occasionaly in some samples being indicative of the existence of biaxial trait in their behaviour even though no voltage is applied. These features may depend on annealing treatments at elevated temperatures. The results of the study show that conoscopic images may serve as a sensitive indicator of the structural state of SBN crystals related to the effects of stress-induced change of optical anisotropy and temperature dependent birefringence parameters.

  13. Thermal conductivity of niobium single crystals in a magnetic field

    International Nuclear Information System (INIS)

    Gladun, C.; Vinzelberg, H.

    1980-01-01

    The thermal conductivity in longitudinal magnetic fields up to 5 T and in the temperature range 3.5 to 15 K is measured in two high purity niobium single crystals having residual resistivity ratios of 22700 and 19200 and orientations of the rod axis [110] and [100]. The investigations show that by means of the longitudinal magnetic field the thermal conductivity may decrease only to a limiting value. In the crystal directions [110] and [100] for the ratio of the thermal conductivity in zero field and the thermal conductivity in the saturation field the temperature-independent factors 1.92 and 1.27, respectively, are determined. With the aid of these factors the thermal conductivity in the normal state is evaluated from the measured values of thermal conductivity below Tsub(c) in the magnetic field. The different conduction and scattering mechanisms are discussed. (author)

  14. The effects of ruthenium on the phase stability of fourth generation Ni-base single crystal superalloys

    International Nuclear Information System (INIS)

    Sato, Atsushi; Harada, Hiroshi; Yokokawa, Tadaharu; Murakumo, Takao; Koizumi, Yutaka; Kobayashi, Toshiharu; Imai, Hachiro

    2006-01-01

    The formation of topologically close-packed (TCP) phases in nickel-base single crystal superalloys causes considerable degradation of the mechanical properties. It has recently been found that platinum-group metals can be effective in controlling the precipitation of such phases, and this extent of precipitation control requires further investigation. This study compares Ru-containing and non-Ru-containing single crystal superalloys. Scanning electron microscopy microstructural observations showed that the rate of TCP phase precipitations decreased through Ru addition. Transmission electron microscopy microstructural observations showed that the P phase, one of the TCP phases, was eliminated through the addition of Ru. The occurrence of this phenomenon will be discussed

  15. Importance of crystal orientation in linear friction joining of single crystal to polycrystalline nickel-based superalloys

    International Nuclear Information System (INIS)

    Karadge, M.; Preuss, M.; Withers, P.J.; Bray, S.

    2008-01-01

    Effects of crystal orientation on weldability and microstructural evolution occurring during linear friction joining of single crystal nickel-base superalloy to polycrystalline nickel-base superalloy were studied. Electron microscopy was used to characterize deformation and microstructural development. Changes in friction coefficient with changes in crystal orientation were observed and correlated to the metallurgical adhesion. These changes were explained by taking into consideration the single crystal deformation mechanisms. It was concluded that the orientation of the single crystal with reference to the principal axes of the pressure force is of utmost importance during linear friction welding (LFW) due to changes in orientation of the primary slip system in the fcc-based single crystal lattice

  16. Molecular Assembly of Hemin on Single-Crystal Au(111)-electrode Surfaces

    DEFF Research Database (Denmark)

    Zhang, Ling; Ulstrup, Jens; Zhang, Jingdong

    also acts as catalyst in electrochemical reduction of dioxygen and other small inert molecules such as nitrogen monoxide, and in electrochemiluminescent detection of dioxygen, peroxide, DNA, and proteins. л-л interactions of hemin with carbon materials have been broadly studied. Hemin onnoble metal......-defined single-crystal Au(111)-electrodesurfaces using electrochemistry combined with scanning tunnelling microscopy under electrochemical control. Hemin gives two voltammetric peaks assigned to adsorbed monomers and dimmers (Fig. 1A). In situ STM shows that hemin self-assembles in ordered monolayers through non...

  17. Correlating Structure and Oxygen Reduction Activity on Y/Pt(111) and Gd/Pt(111) Single Crystals

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Pedersen, Anders Filsøe; Johansson, Tobias Peter

    2015-01-01

    of this technology. Improving the activity of Pt by alloying it with other metals could decrease the loading of Pt at the cathode to a level comparable to Pt-group metal loading in internal combustion engines. PtxY and PtxGd exhibit exceptionally high activity for oxygen reduction, both in the polycrystalline form...... and the nanoparticulate form. [1,2,3,4]. Moreover, their negative alloying energy may make them inherently less prone to degradation via dealloying than the more commonly investigated alloys of Pt and late transition metals such as Ni, Co, Fe and Cu. In order to understand the origin of the enhanced activity...... of these alloys, we have investigated Y/Pt(111) [5] and Gd/Pt(111) single crystals, formed by depositing large amounts of Y and Gd on Pt(111) single crystals under Ultra-High Vacuum (UHV) conditions and annealing to high temperatures. We subsequently characterised the surface using low energy electron diffraction...

  18. Thin Single Crystal Silicon Solar Cells on Ceramic Substrates: November 2009 - November 2010

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A.; Ravi, K. V.

    2011-06-01

    In this program we have been developing a technology for fabricating thin (< 50 micrometres) single crystal silicon wafers on foreign substrates. We reverse the conventional approach of depositing or forming silicon on foreign substrates by depositing or forming thick (200 to 400 micrometres) ceramic materials on high quality single crystal silicon films ~ 50 micrometres thick. Our key innovation is the fabrication of thin, refractory, and self-adhering 'handling layers or substrates' on thin epitaxial silicon films in-situ, from powder precursors obtained from low cost raw materials. This 'handling layer' has sufficient strength for device and module processing and fabrication. Successful production of full sized (125 mm X 125 mm) silicon on ceramic wafers with 50 micrometre thick single crystal silicon has been achieved and device process flow developed for solar cell fabrication. Impurity transfer from the ceramic to the silicon during the elevated temperature consolidation process has resulted in very low minority carrier lifetimes and resulting low cell efficiencies. Detailed analysis of minority carrier lifetime, metals analysis and device characterization have been done. A full sized solar cell efficiency of 8% has been demonstrated.

  19. Prediction of recrystallisation in single crystal nickel-based superalloys during investment casting

    Directory of Open Access Journals (Sweden)

    Panwisawas Chinnapat

    2014-01-01

    Full Text Available Production of gas turbines for jet propulsion and power generation requires the manufacture of turbine blades from single crystal nickel-based superalloys, most typically using investment casting. During the necessary subsequent solution heat treatment, the formation of recrystallised grains can occur. The introduction of grain boundaries into a single crystal component is potentially detrimental to performance, and therefore manufacturing processes and/or component geometries should be designed to prevent their occurrence. If the boundaries have very low strength, they can degrade the creep and fatigue properties. The root cause for recrystallisation is microscale plasticity caused by differential thermal contraction of metal, mould and core; when the plastic deformation is sufficiently large, recrystallisation takes place. In this work, numerical and thermo-mechanical modelling is carried out, with the aim of establishing computational methods by which recrystallisation during the heat treatment of single crystal nickel-based superalloys can be predicted and prevented prior to their occurrence. Elasto-plastic law is used to predict the plastic strain necessary for recrystallisation. The modelling result shows that recrystallisation is most likely to occur following 1.5–2.5% plastic strain applied at temperatures between 1000 ∘C and 1300 ∘C; this is validated with tensile tests at these elevated temperatures. This emphasises that high temperature deformation is more damaging than low temperature deformation.

  20. Magnetic order of Nd5Pb3 single crystals

    Science.gov (United States)

    Yan, J.-Q.; Ochi, M.; Cao, H. B.; Saparov, B.; Cheng, J.-G.; Uwatoko, Y.; Arita, R.; Sales, B. C.; Mandrus, D. G.

    2018-04-01

    We report millimeter-sized Nd5Pb3 single crystals grown out of a Nd-Co flux. We experimentally study the magnetic order of Nd5Pb3 single crystals by measuring the anisotropic magnetic properties, electrical resistivity under high pressure up to 8 GPa, specific heat, and neutron single crystal diffraction. Two successive magnetic orders are observed at T N1  =  44 K and T N2  =  8 K. The magnetic cells can be described with a propagation vector k=(0.5, 0, 0) . Cooling below T N1, Nd1 and Nd3 order forming ferromagnetic stripes along the b-axis, and the ferromagnetic stripes are coupled antiferromagnetically along the a-axis for the k=(0.5, 0, 0) magnetic domain. Cooling below T N2, Nd2 orders antiferromagnetically to nearby Nd3 ions. All ordered moments align along the crystallographic c-axis. The magnetic order at T N1 is accompanied by a quick drop of electrical resistivity upon cooling and a lambda-type anomaly in the temperature dependence of specific heat. At T N2, no anomaly was observed in electrical resistivity but there is a weak feature in specific heat. The resistivity measurements under hydrostatic pressures up to 8 GPa suggest a possible phase transition around 6 GPa. Our first-principles band structure calculations show that Nd5Pb3 has the same electronic structure as does Y5Si3 which has been reported to be a one-dimensional electride with anionic electrons that do not belong to any atom. Our study suggests that R 5Pb3 (R  =  rare earth) can be a materials playground for the study of magnetic electrides. This deserves further study after experimental confirmation of the presence of anionic electrons.

  1. Depressurization amorphization of single-crystal boron carbide.

    Science.gov (United States)

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

    2009-02-20

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

  2. Single Molecule Studies on Dynamics in Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Daniela Täuber

    2013-09-01

    Full Text Available Single molecule (SM methods are able to resolve structure related dynamics of guest molecules in liquid crystals (LC. Highly diluted small dye molecules on the one hand explore structure formation and LC dynamics, on the other hand they report about a distortion caused by the guest molecules. The anisotropic structure of LC materials is used to retrieve specific conformation related properties of larger guest molecules like conjugated polymers. This in particular sheds light on organization mechanisms within biological cells, where large molecules are found in nematic LC surroundings. This review gives a short overview related to the application of highly sensitive SM detection schemes in LC.

  3. Aluminum-rich mesoporous MFI - type zeolite single crystals

    DEFF Research Database (Denmark)

    Kustova, Marina; Kustov, Arkadii; Christensen, Christina Hviid

    2005-01-01

    are characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), ammonia temperature programmed desorption (NH3-TPD), and N-2 adsorption measurements. The obtained zeolites combine the high crystallinity and the characteristic micropores of zeolites with an intracrystalline mesopore system....... With this technique, only zeolites with relatively low Al contents were reported (Si/Al ratio about 100). In this work, the preparation of aluminum-rich mesoporous MFI-type zeolite single crystals (Si/Al similar to 16-50) using aluminum isopropoxide as the aluminum Source is reported for the first time. All samples...

  4. EPR studies of gamma-irradiated taurine single crystals

    International Nuclear Information System (INIS)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Koeksal, F.

    2000-01-01

    An EPR study of gamma-irradiated taurine [C 2 H 7 NO 3 S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32 SO - 2 and 33 SO - 2 radicals. The hyperfine values of 33 SO - 2 radical were used to obtain O-S-O bond angle for both sites

  5. EPR studies of gamma-irradiated taurine single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bulut, A. E-mail: abulut@samsun.omu.edu.tr; Karabulut, B.; Tapramaz, R.; Koeksal, F

    2000-04-01

    An EPR study of gamma-irradiated taurine [C{sub 2}H{sub 7}NO{sub 3}S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of {sup 32}SO{sup -}{sub 2} and {sup 33}SO{sup -}{sub 2} radicals. The hyperfine values of {sup 33}SO{sup -}{sub 2} radical were used to obtain O-S-O bond angle for both sites.

  6. EPR studies of gamma-irradiated taurine single crystals

    Science.gov (United States)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Köksal, F.

    2000-04-01

    An EPR study of gamma-irradiated taurine [C 2H 7NO 3S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32ṠO -2 and 33ṠO -2 radicals. The hyperfine values of 33ṠO -2 radical were used to obtain O-S-O bond angle for both sites.

  7. Lattice effects in HoVo3 single crystal

    International Nuclear Information System (INIS)

    Sikora, M.; Marquina, C.; Ibarra, M.R.; Nugroho, A.A.; Palstra, T.T.M.

    2007-01-01

    We report the study of lattice effects in the Mott insulator HoVO 3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO 3 reveals gradual orbital ordering (OO) below T OO =200 K and orders antiferromagnetically at T N =113 K. A first-order structural phase transition takes place at T S ∼38 K, which is probably accompanied by change of the OO type and hence the type of antiferromagnetic spin ordering

  8. Single molecule studies on dynamics in liquid crystals.

    Science.gov (United States)

    Täuber, Daniela; von Borczyskowski, Christian

    2013-09-26

    Single molecule (SM) methods are able to resolve structure related dynamics of guest molecules in liquid crystals (LC). Highly diluted small dye molecules on the one hand explore structure formation and LC dynamics, on the other hand they report about a distortion caused by the guest molecules. The anisotropic structure of LC materials is used to retrieve specific conformation related properties of larger guest molecules like conjugated polymers. This in particular sheds light on organization mechanisms within biological cells, where large molecules are found in nematic LC surroundings. This review gives a short overview related to the application of highly sensitive SM detection schemes in LC.

  9. Point defects in electron-irradiated oxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Caulfield, K.J.; Cooper, R. [Univ. of Melbourne, Parkville, Victoria (Australia). Dept. of Chemistry; Boas, J.F. [Australian Radiation Lab., Yallambie, Victoria (Australia)

    1995-04-01

    Point defects have been produced in CaO, MgO, and {alpha}-Al{sub 2}O{sub 3} single crystals by electron irradiation, and thresholds for atomic displacement have been measured using time-resolved luminescence spectroscopy. Oxygen displacement energies of approximately 50 eV have been determined; however, a temperature-dependent threshold observed for an emission band in MgO may arise from a magnesium displacement. A 300-nm emission in {alpha}-Al{sub 2}O{sub 3} may be due to an F-center transition. Studies of radiative recombination kinetics are consistent with an electron-detrapping model.

  10. Thermal conductivity of bulk GaN single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Jezowski, A.; Stachowiak, P.; Suski, T.; Krukowski, S.; Bockowski, M.; Grzegory, I.; Danilchenko, B

    2003-05-01

    We have measured thermal conductivity, {kappa}, in the wide temperature range 4-300 K of GaN bulk single crystals grown by high-pressure, high-temperature synthesis. Obtained results (1600 W/Km at 45 K) are the highest {kappa} values reported on GaN material. At the room temperature {kappa} is about 210 W/Km. The contributions to the GaN thermal resistance of Umklapp process, mass point defects as well as phonon scattering on dislocations and sample boundary are discussed.

  11. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  12. Defect sensitive etching of hexagonal boron nitride single crystals

    Science.gov (United States)

    Edgar, J. H.; Liu, S.; Hoffman, T.; Zhang, Yichao; Twigg, M. E.; Bassim, Nabil D.; Liang, Shenglong; Khan, Neelam

    2017-12-01

    Defect sensitive etching (DSE) was developed to estimate the density of non-basal plane dislocations in hexagonal boron nitride (hBN) single crystals. The crystals employed in this study were precipitated by slowly cooling (2-4 °C/h) a nickel-chromium flux saturated with hBN from 1500 °C under 1 bar of flowing nitrogen. On the (0001) planes, hexagonal-shaped etch pits were formed by etching the crystals in a eutectic mixture of NaOH and KOH between 450 °C and 525 °C for 1-2 min. There were three types of pits: pointed bottom, flat bottom, and mixed shape pits. Cross-sectional transmission electron microscopy revealed that the pointed bottom etch pits examined were associated with threading dislocations. All of these dislocations had an a-type burgers vector (i.e., they were edge dislocations, since the line direction is perpendicular to the [ 2 11 ¯ 0 ]-type direction). The pit widths were much wider than the pit depths as measured by atomic force microscopy, indicating the lateral etch rate was much faster than the vertical etch rate. From an Arrhenius plot of the log of the etch rate versus the inverse temperature, the activation energy was approximately 60 kJ/mol. This work demonstrates that DSE is an effective method for locating threading dislocations in hBN and estimating their densities.

  13. Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...

    African Journals Online (AJOL)

    Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...

  14. Investigation on the bulk growth of α-LiIO 3 single crystals and the ...

    Indian Academy of Sciences (India)

    2017-07-26

    Jul 26, 2017 ... Herein, we investigate to grow bulk size good quality crystals of α-LiIO3 based on the observed problems during its crystallization process. A systematic investigation was carried out to find the effect of pH on solubility, crystal growth, structural, surface and laser damage properties of α-LiIO3 single crystals.

  15. Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction.

    Science.gov (United States)

    Medishetty, Raghavender; Yap, Terence Teck Sheng; Koh, Lip Lin; Vittal, Jagadese J

    2013-10-25

    Two Zn(II) complexes of trans-4-styrylpyridine ligands undergo [2+2] cycloaddition reaction forming Zn(II) complex dimers in a single-crystal to single-crystal (SCSC) manner which were thermally reversible. The dimers are presumed to be the stable intermediates in the formation of 1D coordination polymers upon prolonged exposure to UV light.

  16. Glass transition, crystallization kinetics and pressure effect on crystallization of ZrNbCuNiBe bulk metallic glass

    DEFF Research Database (Denmark)

    Xing, P.F.; Zhuang, Yanxin; Wang, W.H.

    2002-01-01

    The glass transition behavior and crystallization kinetics of Zr48Nb8Cu14Ni12Be18 bulk metallic glass have been investigated by differential scanning calorimetry and x-ray powder diffraction (XRD). The activation energies of both glass transition and crystallization events have been obtained usin...

  17. CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

    KAUST Repository

    Maculan, Giacomo

    2015-09-02

    Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

  18. Temperature dependence of magnetoresistance in copper single crystals

    Science.gov (United States)

    Bian, Q.; Niewczas, M.

    2018-03-01

    Transverse magnetoresistance of copper single crystals has been measured in the orientation of open-orbit from 2 K to 20 K for fields up to 9 T. The experimental Kohler's plots display deviation between individual curves below 16 K and overlap in the range of 16 K-20 K. The violation of the Kohler's rule below 16 K indicates that the magnetotransport can not be described by the classical theory of electron transport on spherical Fermi surface with a single relaxation time. A theoretical model incorporating two energy bands, spherical and cylindrical, with different relaxation times has been developed to describe the magnetoresistance data. The calculations show that the electron-phonon scattering rates at belly and neck regions of the Fermi surface have different temperature dependencies, and in general, they do not follow T3 law. The ratio of the relaxation times in belly and neck regions decreases parabolically with temperature as A - CT2 , with A and C being constants.

  19. Strength and deformation of shocked diamond single crystals: Orientation dependence

    Science.gov (United States)

    Lang, J. M.; Winey, J. M.; Gupta, Y. M.

    2018-03-01

    Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ˜120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}⟨110⟩ slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (˜33 GPa) are 25%-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (˜23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response

  20. Joint Development of a Fourth Generation Single Crystal Superalloy

    Science.gov (United States)

    Walston, S.; Cetel, A.; MacKay, R.; OHara, K.; Duhl, D.; Dreshfield, R.

    2004-01-01

    A new, fourth generation, single crystal superalloy has been jointly developed by GE Aircraft Engines, Pratt & Whitney, and NASA. The focus of the effort was to develop a turbine airfoil alloy with long-term durability for use in the High Speed Civil Transport. In order to achieve adequate long-time strength improvements at moderate temperatures and retain good microstructural stability, it was necessary to make significant composition changes from 2nd and 3rd generation single crystal superalloys. These included lower chromium levels, higher cobalt and rhenium levels and the inclusion of a new alloying element, ruthenium. It was found that higher Co levels were beneficial to reducing both TCP precipitation and SRZ formation. Ruthenium caused the refractory elements to partition more strongly to the ' phase, which resulted in better overall alloy stability. The final alloy, EPM 102, had significant creep rupture and fatigue improvements over the baseline production alloys and had acceptable microstructural stability. The alloy is currently being engine tested and evaluated for advanced engine applications.

  1. Ultrafast dynamic response of single crystal β-HMX

    Science.gov (United States)

    Zaug, Joseph M.; Armstrong, Michael R.; Crowhurst, Jonathan C.; Radousky, Harry B.; Ferranti, Louis; Swan, Raymond; Gross, Rick; Teslich, Nick E.; Wall, Mark A.; Austin, Ryan A.; Fried, Laurence E.

    2017-01-01

    We report results from ultrafast compression experiments conducted on β-HMX single crystals. Results consist of nominally 12 picosecond time-resolved wave profile data, (ultrafast time domain interferometry -TDI measurements), that were analyzed to determine high-velocity wave speeds as a function of piston velocity. TDI results are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. Our previous results derived using a 350 ps duration compression drive revealed anisotropic elastic wave response in single crystal β-HMX from (110) and (010) impact planes. Here we present results using a 1.05 ns duration compression drive with a 950 ps interferometry window to extend knowledge of the anisotropic dynamic response of β-HMX within eight microns of the initial impact plane. We observe two distinct wave profiles from (010) and three wave profiles from (010) impact planes. The (110) impact plane wave speeds typically exceed (010) impact plane wave speeds at the same piston velocities. The development of multiple hydrodynamic wave profiles begins at 20 GPa for the (110) impact plane and 28 GPa for the (10) impact plane. We compare our ultrafast TDI results with previous gun and plate impact results on β-HMX and PBX9501.

  2. Steps to detect catalytic ethylene oxide formation on single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Boecklein, Sebastian; Guenther, Sebastian; Reichelt, Robert; Seibald, Markus; Preimesser, Andreas; Ehrensberger, Martin; Rozsa, Gergely; Wintterlin, Joost [Ludwig-Maximilians-Universitaet, 81377 Muenchen (Germany)

    2010-07-01

    As part of a project to bridge the ''pressure gap'' for the catalytic synthesis of ethylene oxide (EtO) on Ag surfaces we have undertaken extensive studies in a model reactor. The investigations aimed at finding conditions under which the production of EtO can be unambiguously and quantitatively detected on single crystal Ag surfaces, a challenging task because of the extremely low ethylene-to-EtO reaction probability. The experiments were performed in a specially designed reactor, and they involved the variation of partial pressures, temperature, and type of Ag samples (powders and polycrystalline sheets), and great effort was expended for proper background subtraction. We find that for the sheets an essential ingredient is an activation treatment by annealing in oxygen, which raises the activity by more than one order of magnitude. There are indications that subsurface O atoms are created by this pretreatment. The maximum values obtained for activity, selectivity, yield, and reaction probability allow us to predict that EtO produced on a single Ag crystal can indeed be detected under flow conditions in a UHV chamber. Experiments on the deactivation show that sintering plays an important role for the dispersed samples, but that there is an additional deactivation process for the sheets that is not caused by sintering or poisoning.

  3. Facet-Dependent Photoreduction on Single ZnO Crystals

    Science.gov (United States)

    2016-01-01

    Photocatalytic reactions occur at the crystal–solution interface, and hence specific crystal facet expression and surface defects can play an important role. Here we investigate the structure-related photoreduction at zinc oxide (ZnO) microparticles via integrated light and electron microscopy in combination with silver metal photodeposition. This enables a direct visualization of the photoreduction activity at specific crystallographic features. It is found that silver nanoparticle photodeposition on dumbbell-shaped crystals mainly takes place at the edges of O-terminated (0001̅) polar facets. In contrast, on ZnO microrods photodeposition is more homogeneously distributed with an increased activity at {101̅1̅} facets. Additional time-resolved measurements reveal a direct spatial link between the enhanced photoactivity and increased charge carrier lifetimes. These findings contradict previous observations based on indirect, bulk-scale experiments, assigning the highest photocatalytic activity to polar facets. The presented research demonstrates the need for advanced microscopy techniques to directly probe the location of photocatalytic activity. PMID:28001412

  4. Single-crystal study on the heavy-fermion antiferromagnet UZn12

    NARCIS (Netherlands)

    Gonçalves, A.P.; Estrela, P.; de Visser, A.; Lopes, E.B.; Catarino, I.; Bonfait, G.; Godinho, M.; Almeida, M.; Gnida, D.; Kaczorowski, D.

    2011-01-01

    Millimetre size UZn12 single crystals were grown by the high temperature solution growth method using zinc as the solvent. Single-crystal x-ray diffraction data confirm that this compound crystallizes in the hexagonal high temperature form of SmZn12 (S.G. P6/mmm) and points to a U1.01(1)Zn11.7(1)

  5. Strain gradient crystal plasticity analysis of a single crystal containing a cylindrical void

    DEFF Research Database (Denmark)

    Borg, Ulrik; Kysar, J.W.

    2007-01-01

    The effects of void size and hardening in a hexagonal close-packed single crystal containing a cylindrical void loaded by a far-field equibiaxial tensile stress under plane strain conditions are studied. The crystal has three in-plane slip systems oriented at the angle 60 degrees with respect...... plasticity formulation. The stress and deformation fields obtained with a local non-hardening constitutive formulation are compared to those obtained from a local hardening formulation and to those from a non-local formulation. Compared to the case of the non-hardening local constitutive formulation......, it is shown that a local theory with hardening has only minor effects on the deformation field around the void, whereas a significant difference is obtained with the non-local constitutive relation. Finally, it is shown that the applied stress state required to activate plastic deformation at the void is up...

  6. Bonding xenon and krypton on the surface of uranium dioxide single crystal

    Directory of Open Access Journals (Sweden)

    Dąbrowski Ludwik

    2014-08-01

    Full Text Available We present density functional theory (DFT calculation results of krypton and xenon atoms interaction on the surface of uranium dioxide single crystal. A pseudo-potential approach in the generalised gradient approximation (GGA was applied using the ABINIT program package. To compute the unit cell parameters, the 25 atom super-cell was chosen. It has been revealed that close to the surface of a potential well is formed for xenon and krypton atom due to its interaction with the atoms of oxygen and uranium. Depth and shape of the well is the subject of ab initio calculations in adiabatic approximation. The calculations were performed both for the case of oxygenic and metallic surfaces. It has been shown that the potential well for the oxygenic surface is deeper than for the metallic surface. The thermal stability of immobilising the atoms of krypton and xenon in the potential wells were evaluated. The results are shown in graphs.

  7. Switchable diode effect in oxygen vacancy-modulated SrTiO{sub 3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Xinqiang; Shuai, Yao; Wu, Chuangui; Luo, Wenbo; Sun, Xiangyu; Zeng, Huizhong; Bai, Xiaoyuan; Gong, Chaoguan; Jian, Ke; Zhang, Wanli [University of Electronic Science and Technology of China, State Key Laboratory of Electronic Thin Films and Integrated Devices, Chengdu (China); Zhang, Lu; Guo, Hongliang [University of Electronic Science and Technology of China, The Center for Robotics, Chengdu (China); Tian, Benlang [26th Institute of China Electronics Technology Group Corporation, Chongqing (China)

    2017-09-15

    SrTiO{sub 3} (STO) single crystal wafer was annealed in vacuum, and co-planar metal-insulator-metal structure of Pt/Ti/STO/Ti/Pt were formed by sputtering Pt/Ti electrodes onto the surface of STO after annealing. The forming-free resistive switching behavior with self-compliance property was observed in the sample. The sample showed switchable diode effect, which is explained by a simple model that redistribution of oxygen vacancies (OVs) under the external electric field results in the formation of n-n{sup +} junction or n{sup +}-n junction (n donated n-type semiconductor; n{sup +} donated heavily doped n-type semiconductor). The self-compliance property is also interpreted by the formation of n-n{sup +}/n{sup +}-n junction caused by the migration of the OVs under the electric field. (orig.)

  8. Influence of cobalt, tantalum, and tungsten on the microstructure and mechanical properties of superalloy single crystals

    International Nuclear Information System (INIS)

    Nathal, M.V.; Ebert, L.J.

    1982-01-01

    The influence of Co, Ta, and W on the microstructure and mechanical properties of nickel base super-alloy single crystals was investigated. A matrix of alloys was based on Mar-M 247 stripped of C, B, Zr, and Hf. The microstructures of the alloys were examined using optical and electron microscopy, phase extraction, X-ray diffraction, and differential thermal analysis. Tensile and creep-rupture tests were performed at 1000 C. An increase in tensile and creep strength resulted when Co was removed from alloys containing high refractory metal contents, but Co effects were negligible for alloys with lower refractory metal levels. In the composition range studied, W was more effective than Ta in increasing the creep resistance. The mechanical properties are discussed in relation to the microstructures of the alloys

  9. Influence of cobalt, tantalum, and tungsten on the microstructure and mechanical properties of superalloy single crystals

    Science.gov (United States)

    Nathal, M. V.; Ebert, L. J.

    1982-01-01

    The influence of Co, Ta, and W on the microstructure and mechanical properties of nickel base super-alloy single crystals was investigated. A matrix of alloys was based on Mar-M 247 stripped of C, B, Zr, and Hf. The microstructures of the alloys were examined using optical and electron microscopy, phase extraction, X-ray diffraction, and differential thermal analysis. Tensile and creep-rupture tests were performed at 1000 C. An increase in tensile and creep strength resulted when Co was removed from alloys containing high refractory metal contents, but Co effects were negligible for alloys with lower refractory metal levels. In the composition range studied, W was more effective than Ta in increasing the creep resistance. The mechanical properties are discussed in relation to the microstructures of the alloys.

  10. Imatinib (Gleevec@) conformations observed in single crystals, protein-Imatinib co-crystals and molecular dynamics: Implications for drug selectivity

    Science.gov (United States)

    Golzarroshan, B.; Siddegowda, M. S.; Li, Hong qi; Yathirajan, H. S.; Narayana, B.; Rathore, R. S.

    2012-06-01

    Structure and dynamics of the Leukemia drug, Imatinib, were examined using X-ray crystallography and molecular dynamics studies. Comparison of conformations observed in single crystals with several reported co-crystals of protein-drug complexes suggests existence of two conserved conformations of Imatinib, extended and compact (or folded), corresponding to two binding modes of interaction with the receptor. Furthermore, these conformations are conserved throughout a dynamics simulation. The present study attempts to draw a parallel on conformations and binding patterns of interactions, obtained from small-molecule single-crystal and macromolecule co-crystal studies, and provides structural insights for understanding the high selectivity of this drug molecule.

  11. Switching VO2 Single Crystals and Related Phenomena: Sliding Domains and Crack Formation

    Directory of Open Access Journals (Sweden)

    Bertina Fisher

    2017-05-01

    Full Text Available VO2 is the prototype material for insulator–metal transition (IMT. Its transition at TIMT = 340 K is fast and consists of a large resistance jump (up to approximately five orders of magnitude, a large change in its optical properties in the visible range, and symmetry change from monoclinic to tetragonal (expansion by 1% along the tetragonal c-axis and 0.5% contraction in the perpendicular direction. It is a candidate for potential applications such as smart windows, fast optoelectronic switches, and field-effect transistors. The change in optical properties at the IMT allows distinguishing between the insulating and the metallic phases in the mixed state. Static or dynamic domain patterns in the mixed-state of self-heated single crystals during electric-field induced switching are in strong contrast with the percolative nature of the mixed state in switching VO2 films. The most impressive effect—so far unique to VO2—is the sliding of narrow semiconducting domains within a metallic background in the positive sense of the electric current. Here we show images from videos obtained using optical microscopy for sliding domains along VO2 needles and confirm a relation suggested in the past for their velocity. We also show images for the disturbing damage induced by the structural changes in switching VO2 crystals obtained for only a few current–voltage cycles.

  12. In-situ studies of iodine intercalation in pentacene thin films and single crystals

    Science.gov (United States)

    Haas, S.; Batlogg, B.

    2004-03-01

    One approach to create a finite charge density in organic molecular semiconductors is bulk chemical doping with intercalated charge donors, which is expected, at suitable doping levels, to induce an insulator-to-metal transition. We report on in-situ, time resolved measurements of iodine intercalation in pentacene single crystals and thin films by means of X-ray diffraction and four- and two-terminal electrical resistivity measurements. The iodine vapor pressure was varied between 0.03 and 0.26 torr, while the samples were mostly held at room temperature. Both intercalated single crystals and films show an enhanced interlayer spacing (d_001) of 19.2 Å and 19.4 Årespectively. The resistivity is decreased by several orders of magnitude, thin films showing a near-metallic low temperature behaviour. The iodine is de-intercalated by continuous pumping and sample heating. This results in thin films in a structural change: The 14.4 Å bulk phase has disappeared and only the 15.4 Å thin film phase remains.

  13. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    International Nuclear Information System (INIS)

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  14. Metal-loaded pollucite-like aluminophosphates: dissymmetrisation of crystal structures and physical properties

    Science.gov (United States)

    Shvanskaya, L. V.; Yakubovich, O. V.; Koshelev, A. V.; Vasiliev, A. N.

    2018-02-01

    Two aluminophosphate analogues of the mineral pollucite with the general formula Cs2(M,Al)3P3O12 (where M = Cu or Mn) have been synthesized by high-temperature flux and structurally characterized using the single-crystal X-ray diffraction. Both samples crystallize in cubic I4132 space group, Z = 8, with a = 13.5911(5) and a = 13.8544(7) for Cu- and Mn-loaded phases, respectively. Their framework structures are based on the ANA-type topology and exhibit the partial ordering of the metal (M/Al) and phosphorus (P) cations over the tetrahedral sites. The regular changes in cell dimensions and volumes in the row Cs2(Cu,Al)3P3O12→Cs2(Mn,Al)3P3O12 obviously correspond to increasing radii of the transition metal. The crystal chemical analysis of both pollucite-like phases show correlations between the difference in the radii size of tetrahedral cations and the degree of distortion of flexible ANA-type framework due to decreasing of the intertetrahedral angles (T-O-T). Magnetic susceptibility measurements indicate that both compounds are paramagnets in the temperature range of 2-300 K.

  15. Crystal growth, structural, thermal and mechanical behavior of L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) single crystals

    Science.gov (United States)

    Mahadevan, M.; Ramachandran, K.; Anandan, P.; Arivanandhan, M.; Bhagavannarayana, G.; Hayakawa, Y.

    2014-12-01

    Single crystals of L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) have been grown successfully from the solution of L-arginine and 4-nitrophenol. Slow evaporation of solvent technique was adopted to grow the bulk single crystals. Single crystal X-ray diffraction analysis confirms the grown crystal has monoclinic crystal system with space group of P21. Powder X-ray diffraction analysis shows the good crystalline nature. The crystalline perfection of the grown single crystals was analyzed by HRXRD by employing a multicrystal X-ray diffractometer. The functional groups were identified from proton NMR spectroscopic analysis. Linear and nonlinear optical properties were determined by UV-Vis spectrophotometer and Kurtz powder technique respectively. It is found that the grown crystal has no absorption in the green wavelength region and the SHG efficiency was found to be 2.66 times that of the standard KDP. The Thermal stability of the crystal was found by obtaining TG/DTA curve. The mechanical behavior of the grown crystal has been studied by Vicker's microhardness method.

  16. Graphite crystals grown within electromagnetically levitated metallic droplets

    International Nuclear Information System (INIS)

    Amini, Shaahin; Kalaantari, Haamun; Mojgani, Sasan; Abbaschian, Reza

    2012-01-01

    Various graphite morphologies were observed to grow within the electromagnetically levitated nickel–carbon melts, including primary flakes and spheres, curved surface graphite and eutectic flakes, as well as engulfed and entrapped particles. As the supersaturated metallic solutions were cooled within the electromagnetic (EM) levitation coil, the primary graphite flakes and spheres formed and accumulated near the periphery of the droplet due to EM circulation. The primary graphite islands, moreover, nucleated and grew on the droplet surface which eventually formed a macroscopic curved graphite crystal covering the entire liquid. Upon further cooling, the liquid surrounding the primary graphite went under a coupled eutectic reaction while the liquid in the center formed a divorced eutectic due to EM mixing. This brought about the formation of graphite fine flakes and agglomerated particles close to the surface and in the center of the droplet, respectively. The graphite morphologies, growth mechanisms, defects, irregularities and growth instabilities were interpreted with detailed optical and scanning electron microscopies.

  17. Ignition and growth modeling of detonation reaction zone experiments on single crystals of PETN and HMX

    Science.gov (United States)

    White, Bradley W.; Tarver, Craig M.

    2017-01-01

    It has long been known that detonating single crystals of solid explosives have much larger failure diameters than those of heterogeneous charges of the same explosive pressed or cast to 98 - 99% theoretical maximum density (TMD). In 1957, Holland et al. demonstrated that PETN single crystals have failure diameters of about 8 mm, whereas heterogeneous PETN charges have failure diameters of less than 0.5 mm. Recently, Fedorov et al. quantitatively determined nanosecond time resolved detonation reaction zone profiles of single crystals of PETN and HMX by measuring the interface particle velocity histories of the detonating crystals and LiF windows using a PDV system. The measured reaction zone time durations for PETN and HMX single crystal detonations were approximately 100 and 260 nanoseconds, respectively. These experiments provided the necessary data to develop Ignition and Growth (I&G) reactive flow model parameters for the single crystal detonation reaction zones. Using these parameters, the calculated unconfined failure diameter of a PETN single crystal was 7.5 +/- 0.5 mm, close to the 8 mm experimental value. The calculated failure diameter of an unconfined HMX single crystal was 15 +/- 1 mm. The unconfined failure diameter of an HMX single crystal has not yet been determined precisely, but Fedorov et al. detonated 14 mm diameter crystals confined by detonating a HMX-based plastic bonded explosive (PBX) without initially overdriving the HMX crystals.

  18. A quartz crystal microbalance characterization of metal-oil interfaces and interactions with wax molecules

    Energy Technology Data Exchange (ETDEWEB)

    Paso, K.; Kompalla, T.; Braathen, B.; Sjoblom, J. [Norwegian Univ. of Science and Technology, Trondheim (Norway). Dept. of Chemical Engineering, Ugelstad Laboratory; Aske, N.; Ronningsen, H.P. [StatoilHydro, Stavanger (Norway); Viitala, T. [KSV Instruments, Helsinki (Finland)

    2008-07-01

    This study investigated the solid-liquid interface between stainless steel and model petroleum fluids at isothermal conditions using a quartz crystal microbalance. AISI 316 (Fe/Cr18/Ni10/Mo3) stainless steel was chosen to represent the metal surface, while paraffin components dissolved in dodecane constituted the petroleum model fluid. Commercial macro-crystalline and micro-crystalline waxes provided linear and branched paraffin components, respectively. A van't Hoff relationship was used to establish the paraffin solubility conditions. The well-defined solubility conditions were provided by model fluids prepared with the single-component alkanes n-C36 or n-C30 paraffin. According to the monitored changes in resonance frequency and dissipation factor of the quartz crystal resonator immersed in the model fluids, there was no continual deposition of paraffin components at isothermal conditions. Moreover, solid paraffin crystals dispersed in solution did not adhere to the stainless steel surface. The absence of attractive interactions between the stainless steel surface and dispersed paraffin crystals suggests that an axial transport mechanism exists for incipient wax deposit formation, where gelation kinetics play a key role. These conclusions were supported by QCM measurements performed under a thermal gradient.

  19. The Study of Quantum Interference in Metallic Photonic Crystals Doped with Four-Level Quantum Dots

    Directory of Open Access Journals (Sweden)

    Hatef Ali

    2010-01-01

    Full Text Available Abstract In this work, the absorption coefficient of a metallic photonic crystal doped with nanoparticles has been obtained using numerical simulation techniques. The effects of quantum interference and the concentration of doped particles on the absorption coefficient of the system have been investigated. The nanoparticles have been considered as semiconductor quantum dots which behave as a four-level quantum system and are driven by a single coherent laser field. The results show that changing the position of the photonic band gap about the resonant energy of the two lower levels directly affects the decay rate, and the system can be switched between transparent and opaque states if the probe laser field is tuned to the resonance frequency. These results provide an application for metallic nanostructures in the fabrication of new optical switches and photonic devices.

  20. Growth and characterization of 2-methylquinolinium L-malate single crystal

    Science.gov (United States)

    Bharathi, M. Divya; Ahila, G.; Mohana, J.; Anbalagan, G.

    2017-05-01

    An organic nonlinear optical single crystal, 2-methylquinolinium L-malate (MLM) was grown from ethanol solvent using slow evaporation solution growth technique. The single crystal X-ray diffraction studies confirmed that the crystal belongs to the monoclinic system with the non-centrosymmetric space group P21. The crystal is transparent in the entire visible region. The second harmonic generation efficiency of the grown crystal has been obtained by the Kurtz-Perry powder technique. The laser damage threshold value 5.58 GW/cm2 indicates that this crystal can be used for high-power laser applications.

  1. Luminescence Properties of ScPO{sub 4} Single Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Boatner, L.A.; Trukhin, A.N.

    1999-08-16

    Flux-grown ScPO{sub 4} single crystals exhibit a number of luminescence bands in their x-ray-excited luminescence spectra - including sharp lines arising from rare-earth elements plus a number of broad bands at 5.6 cV, 4.4 eV, and 3 eV. The band at 5.6 eV was attributed to a self-trapped exciton (STE) [l], and it could be excited at 7 eV and higher energies. This luminescence is strongly polarized (P = 70 %) along the optical axes of the crystal and exhibits a kinetic decay time constant that varies from several ns at room temperature to {approximately}10 {micro}s at 60 K and up to {approximately}1 ms at 10 K. It is assumed that the STE is localized on the SC ions. The band at 3 eV can be excited in the range of the ScPO{sub 4} crystal transparency (decay time = 3 to 4 {micro}s.) This band is attributed to a lead impurity that creates different luminescence centers. At high temperatures, the band at 4.4 eV is dominant in the x-ray-excited TSL and afterglow spectra. Its intensity increases with irradiation time beginning at zero at the initial irradiation time. The 4.4 eV band does not appear in a fast process under a pulsed electron beam, showing that accumulation is necessary for its observation. A sample of ScPO{sub 4} doped with vanadium exhibited a prevalent band at 4.4 eV at T = 480 K.

  2. Metal-assisted and microwave accelerated-evaporative crystallization: Application to lysozyme protein

    Science.gov (United States)

    Mauge-Lewis, Kevin

    In response to the growing need for new crystallization techniques that afford for rapid processing times along with control over crystal size and distribution, the Aslan Research Group has recently demonstrated the use of Metal-Assisted and Microwave-Accelerated Evaporative Crystallization MA-MAEC technique in conjunction with metal nanoparticles and nanostructures for the crystallization of amino acids and organic small molecules. In this study, we have employed the newly developed MA-MAEC technique to the accelerated crystallization of chicken egg-white lysozyme on circular crystallization platforms in order to demonstrate the proof-of-principle application of the method for protein crystallization. The circular crystallization platforms are constructed in-house from poly (methyl methacrylate) (PMMA) and silver nanoparticle films (SNFs), indium tin oxide (ITO) and iron nano-columns. In this study, we prove the MA-MAEC method to be a more effective technique in the rapid crystallization of macromolecules in comparison to other conventional methods. Furthermore, we demonstrate the use of the novel iCrystal system, which incorporates the use of continuous, low wattage heating to facilitate the rapid crystallization of the lysozyme while still retaining excellent crystal quality. With the incorporation of the iCrystal system, we observe crystallization times that are even shorter than those produced by the MA-MAEC technique using a conventional microwave oven in addition to significantly improved crystal quality.

  3. Octahedral distortion induced magnetic anomalies in LaMn0.5Co0.5O3 single crystals

    Science.gov (United States)

    Manna, Kaustuv; Bhadram, Venkata Srinu; Elizabeth, Suja; Narayana, Chandrabhas; Anil Kumar, P. S.

    2014-07-01

    Single crystals of LaMn0.5Co0.5O3 belonging to the ferromagnetic-insulator and distorted perovskite class were grown using a four-mirror optical float zone furnace. The as-grown crystal crystallizes into an orthorhombic Pbnm structure. The spatially resolved 2D Raman scan reveals a strain-induced distribution of transition metal (TM)-oxygen (O) octahedral deformation in the as-grown crystal. A rigorous annealing process releases the strain, thereby generating homogeneous octahedral distortion. The octahedra tilt by reducing the bond angle TM-O-TM, resulting in a decline of the exchange energy in the annealed crystal. The critical behavior is investigated from the bulk magnetization. It is found that the ground state magnetic behavior assigned to the strain-free LaMn0.5Co0.5O3 crystal is of the 3D Heisenberg kind. Strain induces mean field-like interaction in some sites, and consequently, the critical exponents deviate from the 3D Heisenberg class in the as-grown crystal. The temperature-dependent Raman scattering study reveals strong spin-phonon coupling and the existence of two magnetic ground states in the same crystal.

  4. Studies on crystal growth and physical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline single crystal

    Science.gov (United States)

    Jebin, R. P.; Suthan, T.; Rajesh, N. P.; Vinitha, G.; Dhas, S. A. Britto

    2016-07-01

    The organic material 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline has been grown by slow evaporation technique. Single crystal and Powder X-ray diffraction studies have been carried out to conform the grown crystal. FTIR and FT-Raman spectra were recorded to identify the functional groups present in the crystal. The optical property of the grown crystal was analysed by UV-Vis-NIR measurement. The thermal property of the grown crystal was analysed by thermogravimetric (TG) and differential thermal analyses (DTA). Thermal diffusivity of the grown crystal was analysed by Photo acoustic spectroscopic (PAS) studies. The third order nonlinear optical properties of 4-(dimethylamino)benzaldehyde-2,4-dinitroaniline was measured by the Z-scan technique using 532 nm diode pumped continuous wave (CW) Nd:YAG laser. The mechanical property of the grown crystal was analysed by using microhardness studies.

  5. Conduction properties of micro-crystals of 2,5-dimethyl- N, N'-dicyanoquinonediimine metal (metal = Ag, Cu) complexes on SiO 2/Si substrates

    Science.gov (United States)

    Yamamoto, Hiroshi M.; Kawasugi, Yoshitaka; Ito, Hiromi; Fukunaga, Takeo; Suzuki, Toshiaki; Tsukagoshi, Kazuhito; Kato, Reizo

    2008-12-01

    Conduction properties of two kinds of DMe-DCNQI complexes deposited on SiO 2/Si substrate are presented. Direct chemical growth of (DMe-DCNQI) 2Ag on the substrate afforded single crystals attached to a gold electrode deposited on the substrate. The system showed bistable switching behavior associated with rectifying property, which seems suitable for resistive random access memory. Speculative mechanism for this behavior is discussed. On the other hand, single crystal of (DMe-DCNQI- d7) 2Cu grown elsewhere was attached to four gold electrodes by carbon paste and fixed on the substrate with epoxy resin. Four-probe measurement of this sample revealed an absence of metal-insulator (M-I) transition which is expected at 80 K for crystal without substrate. This phenomenon can be explained by pseudo-negative pressure effect due to the hard silicon substrate (DMe-DCNQI = 2,5-dimethyl- N, N'-dicyanoquinonediimine).

  6. Defects induced in cerium dioxide single crystals by electron irradiation

    Science.gov (United States)

    Costantini, Jean-Marc; Miro, Sandrine; Touati, Nadia; Binet, Laurent; Wallez, Gilles; Lelong, Gérald; Guillaumet, Maxime; Weber, William J.

    2018-01-01

    Micro-Raman spectroscopy, X-band electron paramagnetic resonance (EPR) spectroscopy, and UV-visible optical absorption spectroscopy were used to study the damage production in cerium dioxide (CeO2) single crystals by electron irradiation for three energies (1.0, 1.4, and 2.5 MeV). The Raman-active T2g peak was left unchanged after 2.5-MeV electron irradiation at a high fluence. This shows that no structural modifications occurred for the cubic fluorite structure. UV-visible optical absorption spectra exhibited a characteristic sub band-gap tail for 1.4-MeV and 2.5-MeV energies, but not for 1.0 MeV. Narrow EPR lines were recorded near liquid-helium temperature after 2.5-MeV electron irradiation; whereas no such signal was found for the virgin un-irradiated crystal or after 1.0-MeV irradiation for the same fluence. The angular variation of these lines in the {111} plane revealed a weak g-factor anisotropy assigned to Ce3+ ions (with the 4f1 configuration) in a high-symmetry local environment. It is concluded that Ce3+ ions may be produced by a reduction resulting from the displacement damage process. However, no evidence of F+ or F0 center or hole center formation due to irradiation was found from the present EPR and optical absorption spectra.

  7. From Protein Structure to Function via Single Crystal Optical Spectroscopy

    Directory of Open Access Journals (Sweden)

    Luca eRonda

    2015-04-01

    Full Text Available The more than 100.000 protein structures determined by X-ray crystallography provide a wealth of information for the characterization of biological processes at the molecular level. However, several crystallographic artifacts, including conformational selection, crystallization conditions and radiation damages, may affect the quality and the interpretation of the electron density map, thus limiting the relevance of structure determinations. Moreover, for most of these structures no functional data have been obtained in the crystalline state, thus posing serious questions on their validity in the inference for protein mechanisms. In order to solve these issues, spectroscopic methods have been applied for the determination of equilibrium and kinetic properties of proteins in the crystalline state. These methods are UV-vis spectrophotometry, spectrofluorimetry, IR, EPR, Raman and resonance Raman spectroscopy. Some of these approaches have been implemented with on-line instruments at X-ray synchrotron beamlines. Here, we provide an overview of investigations predominantly carried out in our laboratory by single crystal polarized absorption UV-vis microspectrophotometry, the most applied technique for the functional characterization of proteins in the crystalline state. Studies on hemoglobins, pyridoxal 5’-phosphate dependent enzymes and green fluorescent protein in the crystalline state have addressed key biological issues, leading to either straightforward structure-function correlations or limitations to structure-based mechanisms.

  8. Solidification microstructures in single-crystal stainless steel melt pools

    Energy Technology Data Exchange (ETDEWEB)

    Sipf, J.B.; Boatner, L.A.; David, S.A.

    1994-03-01

    Development of microstructure of stationary melt pools of oriented stainless steel single crystals (70%Fe-15%Ni-15%Cr was analyzed. Stationary melt pools were formed by electron-beam and gas-tungsten-arc heating on (001), (011), and (111) oriented planes of the austenitic, fcc-alloy crystals. Characterization and analysis of resulting microstructure was carried out for each crystallographic plane and welding method. Results showed that crystallography which favors ``easy growth`` along the <100> family of directions is a controlling factor in the microstructural formation along with the melt-pool shape. The microstructure was found to depend on the melting method, since each method forms a unique melt-pool shape. These results are used in making a three-dimensional reconstruction of the microstructure for each plane and melting method employed. This investigation also suggests avenues for future research into the microstructural properties of electron-beam welds as well as providing an experimental basis for mathematical models for the prediction of solidification microstructures.

  9. Thermal expansion of C60 single crystals under pressure

    International Nuclear Information System (INIS)

    Grube, K.D.

    1995-12-01

    The thermal expansion and compressibility of C 60 single crystals have been investigated by a newly developed capacitive dilatometer. The dilatometer was integrated in a high pressure cell and exposed to a hydrostatic pressure of maximal 0.85 GPa with He or Ar as pressure transmitting medium. The relative length change of the C 60 -samples was measured with a resolution of ΔL/L∼10 -9 . The crystals consist of weakly bonded C 60 -molecules which can rotate nearly free at room temperature. The gradual freezing-in of the rotational motions leads to a first order phase transition at 260 K and a glass transition at 90 K. The pressure dependence of these transitions was determined in a temperature range from 50 K to 325 K up to a pressure of 0.85 GPa. The phase transition at 260 K shows a positive pressure dependence of 174 K/GPa. The glass transition temperature first increases with 75 K/GPa under pressure, then it jumps discontinuously by 10 K at 0.15 GPa followed by a further increase with a slope of 54 K/GPa. The jump in the glass transition temperature at 0.15 GPa can be explained with an orientation-dependent interaction between the C 60 -molecules. (orig.) [de

  10. Growth and microtopographic study of CuInSe{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat - 388120 (India); Tailor, J. P. [Applied Physics Department, S.V.N.I.T., Surat, Gujarat - 395007 (India)

    2016-05-23

    The CuInSe{sub 2} single crystals were grown by chemical vapour transport (CVT) technique using iodine as transporting agent. The elemental composition of the as-grown CuInSe{sub 2} single crystals was determined by energy dispersive analysis of X-ray (EDAX). The unit cell crystal structure and lattice parameters were determined by X-ray diffraction (XRD) technique. The surface microtopographic study of the as-grown CuInSe{sub 2} single crystals surfaces were done to study the defects, growth mechanism, etc. of the CVT grown crystals.

  11. Angular correlation of annihilation photons in ice single crystals

    DEFF Research Database (Denmark)

    Mogensen, O. E.; Kvajic, G.; Eldrup, Morten Mostgaard

    1971-01-01

    -lattice vectors g⃗ on the direction perpendicular to the slits and the sample surface. The relative area of the central plus the side peaks was (15.2 ± 0.4)% for all curves. All the peaks are interpreted as due to parapositronium annihilation. The side peaks are explained as evidence for the positronium center......Linear-slit angular-correlation curves were obtained at - 148 °C for the [0001], [10¯10], and [11¯20] directions in single crystals of ice. Besides the narrow central peak, pronounced narrow side peaks were also observed. They occurred at angles θ=2πℏgz/mc, where gz is the projection of reciprocal...

  12. Phonon interactions with methyl radicals in single crystals

    Directory of Open Access Journals (Sweden)

    James W. Wells

    2017-04-01

    Full Text Available The high temperature ESR spectra’s anomalous appearance at very low temperatures for the methyl radical created in single crystals is explained by magnetic dipole interactions with neighboring protons. These protons acting via phonon vibrations induce resonant oscillations with the methyl group to establish a very temperature sensitive ‘‘relaxation’’ mode that allows the higher energy ‘‘E’’ state electrons with spin 12 to ‘‘decay’’ into ‘‘A’’ spin 12 states. Because of the amplitude amplification with temperature, the ‘‘E’’ state population is depleted and the ‘‘A’’ state population augmented to produce the high temperature ESR spectrum. This phenomenon is found to be valid for all but the very highest barriers to methyl group tunneling. In support, a time dependent spin population study shows this temperature evolution in the state populations under this perturbation.

  13. Non-linear friction in a single crystal of zirconium

    International Nuclear Information System (INIS)

    Ritchie, I.G.; Atrens, A.; Sprungmann, K.W.

    1980-04-01

    Non-linear internal friction phenomena in a single crystal of zirconium are investigated. Both the interactions between dislocations and immobile obstacles and between dislocations and mobile pinning points are involved. It is shown that vibration conditioning and programmed vibration annealing can be used to separate the time-dependent and strain-amplitude-dependent components of the internal friction. An impurity peaking effect has been generated by altering the effective concentration of obstacles by step changes in strain amplitude and vibration conditioning. Repeated thermal cycling at low strain amplitudes, through the terminal solid solubility boundary for hydrogen in zirconium, does not lead to the cumulative increase in dislocation density observed when polycrystalline samples are treated similarly. (auth)

  14. EPR of Mn2+ in strontium tartrate trihydrate single crystals

    International Nuclear Information System (INIS)

    Korkmaz, M.; Aktas, B.

    1985-01-01

    Electron paramagnetic resonance spectra of Mn 2+ doped in single crystals of strontium tartrate trihydrate grown by a diffusion technique are investigated at room temperature. Mn 2+ enters the lattice substitutionally and is trapped at two magnetically equivalent but crystallographically inequivalent sites. The EPR measurements give the following values for the spin-Hamiltonian parameters: g/sub x/(= g/sub y/) = 1.9781, g/sub z/ = 2.0012, A/sub x/(= A/sub y/) = -94.9 x 10 -4 T, A/sub z/ = -96.2 x 10 -4 T, B 0 2 (= D/3) = +160.9 x 10 -4 T, B 2 2 (= E) = +101.2 x 10 -4 T, B 0 4 = +0.013 x 10 -4 T, and B 2 4 = +0.088 x 10 -4 T. (author)

  15. Hydrogen solid solutions in niobium - molybdenum single crystal alloys

    International Nuclear Information System (INIS)

    Silva, J.R.G. da; Ishikawa, T.T.

    1981-01-01

    The temperature variation of the hydrogen solubility in a series of single crystal Nb-Mo alloys ('binary solvents') in equilibrium with the gaseous phase at atmospheric pressure is presented. The partial thermodynamic properties of the intersticially dissolved hydrogen atoms were calculated from of solubility versus temperature curves. The hydrogen solution obeys the quasi-regular model at all the compositions of the investigated alloys. The variation of the partial entalphy Hu sup(-) with the solvent alloys composition (Mo/Nb + Mo ratio) is compared with the variation of the electronic structure of the solvent. The non-random solute distribution in the binary solvent lattice is shown, with the H atoms prefering interstitial sites next to Nb atoms. (Author) [pt

  16. Superconductivity in SrNi2P2 single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ronning, Filip [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Park, Tuscon [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory

    2009-01-01

    Heat capacity, magnetic susceptibility, and resistivity of SrNi{sub 2}P{sub 2} single crystals are presented, illustrating the structural transition at 325 K, and bulk superconductivity at 1.4 K. The magnitude of {Tc}, fits to the heat capacity data, the small upper critical field H{sub c2} = 390 Oe, and {kappa} = 2.1 suggests a conventional fully gapped superconductor. With applied pressure we find that superconductivity persists into the so-called 'collapsed tetragonal' phase, although the transition temperature is monotonically suppressed with increasing pressure. This argues that reduced dimensionality can be a mechanism for increasing the transition temperatures of layered NiP, as well as layered FeAs and NiAs, superconductors.

  17. Optical properties of reduced lithium niobate single crystals

    Science.gov (United States)

    Dhar, Ajay; Mansingh, Abhai

    1990-12-01

    The optical transmission of LiNbO3 single crystals has been measured in the wavelength range 200-900 nm, for different degrees of reduction, to study the effect of reduction on the optical characteristics of LiNbO3 near the fundamental absorption edge. The optical transitions in LiNbO3 were found to be indirect and the band gap decreased with increasing degree of reduction. The band observed at 2.48 eV in the absorption spectrum in heavily reduced samples has been attributed to the formation of polarons, and the theoretical model of Reik and Heese [J. Chem. Solids 28, 581 (1967)] for small polarons is used to correlate the optical and electrical properties.

  18. Growth of single-crystal YAG fiber optics.

    Science.gov (United States)

    Nie, Craig D; Bera, Subhabrata; Harrington, James A

    2016-07-11

    Single-crystal YAG (Y3Al5O12) fibers have been grown by the laser heated pedestal growth technique with losses as low as 0.3 dB/m at 1.06 μm. These YAG fibers are as long as about 60 cm with diameters around 330 μm. The early fibers were grown from unoriented YAG seed fibers and these fibers exhibited facet steps or ridges on the surface of the fiber. However, recently we have grown fibers using an oriented seed to grow step-free fibers. Scattering losses made on the fibers indicate that the scattering losses are equal to about 30% of the total loss.

  19. Shock compression experiments on Lithium Deuteride single crystals.

    Energy Technology Data Exchange (ETDEWEB)

    Knudson, Marcus D.; Desjarlais, Michael Paul; Lemke, Raymond W.

    2014-10-01

    S hock compression exper iments in the few hundred GPa (multi - Mabr) regime were performed on Lithium Deuteride (LiD) single crystals . This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17 - 32 km/s. Measurements included pressure, density, and temperature between %7E200 - 600 GPa along the Principal Hugoniot - the locus of end states achievable through compression by large amplitude shock waves - as well as pressure and density of re - shock states up to %7E900 GPa . The experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  20. Trapped electrons in irradiated single crystals of polyhydroxy compounds

    International Nuclear Information System (INIS)

    Box, H.C.; Budzinski, E.E.; Freund, H.G.; Potter, W.R.

    1979-01-01

    The intermolecular trapping of electrons has been observed in single crystals of dulcitol and L(+) arabinose x-irradiated at 4.2 0 K. Attribution of a major component of the ESR absorption to trapped electrons is based upon the character of the hyperfine pattern, which arises from multiple anisotropic hyperfine interactions with exchangeable protons, and on the g value of the absorption, which is always less than the free spin value. The removal of the trapped electron absorption upon irradiation with visible light has also been demonstrated. In these experiments all of the electrons are trapped in identical sites. This circumstance provides some important advantages in the study of the factors affecting the stabilization of charge in an environment of polarizable molecules

  1. X-ray conductivity of ZnSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Degoda, V. Ya., E-mail: degoda@univ.kiev.ua; Podust, G. P. [Taras Shevchenko Kyiv National University, Physics Department (Ukraine)

    2016-05-15

    The experimental I–V and current–illuminance characteristics of the X-ray conductivity and X-ray luminescence of zinc-selenide single crystals feature a nonlinear shape. The performed theoretical analysis of the kinetics of the X-ray conductivity shows that even with the presence of shallow and deep traps for free charge carriers in a semiconductor sample, the integral characteristics of the X-ray conductivity (the current–illuminance and I–V dependences) should be linear. It is possible to assume that the nonlinearity experimentally obtained in the I–V and current–illuminance characteristics can be caused by features of the generation of free charge carriers upon X-ray irradiation, i.e., the generation of hundreds of thousands of free charge carriers of opposite sign in a local region with a diameter of <1 μm and Coulomb interaction between the free charge carriers of opposite signs.

  2. Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

    Science.gov (United States)

    Priyadharshini, A.; Kalainathan, S.

    2018-04-01

    2-(4-fluorobenzylidene) malononitrile (FBM), an organic third order nonlinear (TONLO) single crystal with the dimensions of 32 × 7 × 11 mm3, has been successfully grown in acetone solution by slow evaporation technique at 35 °C. The crystal system (triclinic), space group (P-1) and crystalline purity of the titular crystal were measured by single crystal and powder X-ray diffraction, respectively. The molecular weight and the multiple functional groups of the FBM material were confirmed through the mass and FT-IR spectral analysis. UV-Vis-NIR spectral study enroles that the FBM crystal exhibits excellent transparency (83%) in the entire visible and near infra-red region with a wide bandgap 2.90 eV. The low dielectric constant (εr) value of FBM crystal is appreciable for microelectronics industry applications. Thermal stability and melting point (130.09 °C) were ascertained by TGA-DSC analysis. The laser-induced surface damage threshold (LDT) value of FBM specimen is found to be 2.14 GW/cm2, it is fairly good compared to other reported NLO crystals. The third - order nonlinear optical character of the FBM crystal was confirmed through the typical single beam Z-scan technique. All these finding authorized that the organic crystal of FBM is favorably suitable for NLO applications.

  3. Temperature dependent tunneling study of CaFe1.96Ni0.04As2 single crystals

    International Nuclear Information System (INIS)

    Dutta, Anirban; Gupta, Anjan K.; Thamizhavel, A.

    2014-01-01

    We report on temperature dependent scanning tunneling microscopy and spectroscopy studies on CaFe 1.96 Ni 0.04 As 2 single crystals in 5.4 – 19.7 K temperature range across the normal metal - superconductor transition temperature, T C = 14K. The in-situ cleaved crystals show reasonably flat surface with signatures of atomic resolution. The tunnel spectra show significant spatial inhomogeneity below T C , which reduces significantly as the temperature goes above the T C . We discuss these results in terms of an inhomogeneous electronic phase that may exist due to the vicinity of this composition to the quantum critical point

  4. Synthesis, crystal structures and luminescence properties of two metal carboxyphosphonates

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chaonan; Feng, Pingjing; Li, Jintang, E-mail: leejt@xmu.edu.cn; Luo, Xuetao

    2017-05-15

    Two metal carboxyphosphonates, [Co{sub 2}(OOCC{sub 5}H{sub 3}NPO{sub 3}){sub 2·}(H{sub 2}O){sub 3}] (Compound1) and Zn{sub 3}[OOCC{sub 6}H{sub 3}CH(OH)PO{sub 3}]{sub 2·}2H{sub 2}O (Compound2) were successfully synthesized under the hydrothermal reactions. In compound 1, two (Co1-NO{sub 5}) octahedra link the (CPO{sub 3}) by sharing the corner, which link the two (Co2-O{sub 6}) octahedra. From a-axis the six clusters form the layer. Each layer is linked through hydrogen bond. In compound 2, the (Zn-O{sub 4}) tetrahedron and (CPO{sub 3}) tetrahedron are corner-shared, which arrange in line. From a-axis, each line forms the columnar. The thermal and luminescence properties of these compounds were investigated. - Graphical abstract: The synthesis conditions of the two compounds and the crystal morphology. Compound 1 shows the layer and the compound 2 shows the pillared-layer. - Highlights: • Two new carboxyphosphonate ligands have been prepared. • Using the two ligands, two metal carboxyphosphonates have been synthesized. • The two MOFs may be candidates for fluorescent materials.

  5. Single crystal diamond detectors grown by chemical vapor deposition

    International Nuclear Information System (INIS)

    Tuve, C.; Angelone, M.; Bellini, V.; Balducci, A.; Donato, M.G.; Faggio, G.; Marinelli, M.; Messina, G.; Milani, E.; Morgada, M.E.; Pillon, M.; Potenza, R.; Pucella, G.; Russo, G.; Santangelo, S.; Scoccia, M.; Sutera, C.; Tucciarone, A.; Verona-Rinati, G.

    2007-01-01

    The detection properties of heteropitaxial (polycrystalline, pCVD) and homoepitaxial (single crystal, scCVD) diamond films grown by microwave chemical vapor deposition (CVD) in the Laboratories of Roma 'Tor Vergata' University are reported. The pCVD diamond detectors were tested with α-particles from different sources and 12 C ions produced by 15MV Tandem accelerator at Southern National Laboratories (LNS) in Catania (Italy). pCVDs were also used to monitor 14MeV neutrons produced by the D-T plasma at Joint European Torus (JET), Culham, U.K. The limit of pCVDs is the poor energy resolution. To overcome this problem, we developed scCVD diamonds using the same reactor parameters that optimized pCVD diamonds. scCVD were grown on a low cost (100) HPHT single crystal substrate. A detector 110μm thick was tested under α-particles and under 14MeV neutron irradiation. The charge collection efficiency spectrum measured under irradiation with a triple α-particle source shows three clearly resolved peaks, with an energy resolution of about 1.1%. The measured spectra under neutron irradiation show a well separated C(n,α 0 ) 9 Be12 reaction peak with an energy spread of 0.5MeV for 14.8MeV neutrons and 0.3MeV for 14.1MeV neutrons, which are fully compatible with the energy spread of the incident neutron beams

  6. Modification of ion implanted or irradiated single crystal sapphire

    International Nuclear Information System (INIS)

    Song Yin; Zhang Chonghong; Wang Zhiguang; Zhao Zhiming; Yao Cunfeng; Zhou Lihong; Jin Yunfan

    2006-01-01

    Single crystal sapphire (Al 2 O 3 ) samples were implanted at 600 K by He, Ne and Ar ions with energy of 110 keV to doses ranging from 5 x 10 16 to 2 x 10 17 ion/cm 2 or irradiated at 320 K by 208 Pb 27+ ion with energy of 1.1 MeV/u to the fluences ranging from 1 x 10 12 to 5 x 10 14 ion/cm 2 . The modification of structure and optical properties induced by ion implantation or irradiation were analyzed by using photoluminescence (PL) and Fourier transformation infrared spectrum (FTIR) spectra and transmission electron microscopy (TEM) measurements. The PL measurements showed that absorption peaks located at 375, 413 and 450 nm appeared in all the implanted or irradiated samples, the PL intensities reached up to the maximum for the 5 x 10 16 ion/cm 2 implanted samples. After Pb-ion irradiation, a new peak located at 390 nm formed. TEM analyses showed that small size voids (1-2 nm) with high density were formed in the region from the surface till to about 100 nm in depth and also large size Ne-bubble formed in the Ne-doped region. Form the obtained FTIR spectra, it was found that Pb-ion irradiation induced broadening of the absorption band in 460-510 cm -1 and position shift of the absorption band in 1000-1300 cm -1 towards to high wavenumber. The possible damage mechanism in single crystal sapphire induced by energetic ion implantation or irradiation was briefly discussed. (authors)

  7. Synthesis, crystal growth, optical, thermal, and mechanical properties of a nonlinear optical single crystal: ammonium sulfate hydrogen sulphamate (ASHS)

    Science.gov (United States)

    Sudhakar, K.; Nandhini, S.; Muniyappan, S.; Arumanayagam, T.; Vivek, P.; Murugakoothan, P.

    2018-04-01

    Ammonium sulfate hydrogen sulphamate (ASHS), an inorganic nonlinear optical crystal, was grown from the aqueous solution by slow evaporation solution growth technique. The single-crystal XRD confirms that the grown single crystal belongs to the orthorhombic system with the space group of Pna21. Powder XRD confirms the crystalline nature and the diffraction planes were indexed. Crystalline perfection of grown crystal was analysed by high-resolution X-ray diffraction rocking curve technique. UV-Vis-NIR studies revealed that ASHS crystal has optical transparency 65% and lower cut-off wavelength at 218 nm. The violet light emission of the crystal was identified by photoluminescence studies. The particle size-dependent second-harmonic generation efficiency for ASHS crystal was evaluated by Kurtz-Perry powder technique using Nd:YAG laser which established the existence of phase matching. Surface laser damage threshold value was evaluated using Nd:YAG laser. Optical homogeneity of the crystal was evaluated using modified channel spectrum method through birefringence study. Thermal analysis reveals that ASHS crystal is stable up to 213 °C. The mechanical behaviour of the ASHS crystal was analysed using Vickers microhardness study.

  8. A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

    Science.gov (United States)

    Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

    2017-11-01

    A framework for dislocation-based viscoplasticity and dynamic ductile failure has been developed to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. An averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Additionally, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in (Wilkerson and Ramesh, 2014), which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

  9. Growth and characterization of lead-free (K,Na)NbO3-based piezoelectric single crystals

    International Nuclear Information System (INIS)

    Liu, Hairui

    2016-01-01

    ) For individual elements, segregation coefficients highly rely on the initial concentration in the liquid solution. The systematic discussion in this work contributes to future composition design in KNN-based crystals. (ii) A competition between elements occupied on the same lattice site was found. (iii) The very low Li segregation coefficient in the KNN matrix is importantly responsible for the occurrence of a secondary phase with the tetragonal tungsten bronze structure. (iv) The observed optically-cloudy regions in as-grown KNN-based single crystals decrease the electrical response and can be reduced by thermal treatment with slow cooling. In the second part of the thesis we used three approaches to enhance the piezoelectric and ferroelectric behavior of KNN-based single crystals, which is shown in Chapter 5. Chemical substitution with Ta or Sb ions indicates that enhanced electromechanical response is achieved when the orthorhombic-tetragonal phase transition temperature is in the proximity of room temperature, as previously reported for polycrystalline ceramics. Thermal treatment in pure O 2 atmosphere resulted in a twofold increase of the piezoelectric coefficient and ferroelectric parameters (maximum and remanent polarization) of a (K,Na,Li)(Ta,Nb,Sb)O 3 single crystal. The up-to-date highest room-temperature piezoelectric coefficient in annealed KNN-based single crystals of 732 pC/N was obtained, which is attributed to the lower defect concentration after the thermal treatment. The third approach, doping with a small amount of transition metal Mn ions in (K,Na,Li)(Ta,Nb)O 3 single crystals, is also presented. Orientation dependence of electromechanical properties in Chapter 6 indicates that high maximum polarization, remanent polarization, coercive field, maximum strain, and negative strain were observed when the electric field was applied along one of the spontaneous polarization vectors in both tetragonal and orthorhombic phases. This is related to the effect

  10. Structure of cleaved (001) USb2 single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shao-ping [Los Alamos National Laboratory; Hawley, Marilyn [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Stockum, Phil B [STANFORD UNIV.; Manoharan, Hari C [STANFORD UNIV

    2009-01-01

    We have achieved what we believe to be the first atomic resolution STM images for a uranium compound taken at room temperature. The a, b, and c lattice parameters in the images confirm that the USb{sub 2} crystals cleave on the (001) basal plane as expected. The a and b dimensions were equal, with the atoms arranged in a cubic pattern. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the DOS measured by STM. Some strange features observed in the STM will be discussed in conjunction with ab initio calculations. The purpose of this work is to demonstrate the power of scanning tunneling microscopy (STM) techniques combined with a theoretical underpinning to determine the surface atomic structure and properties of actinide materials, such as the quasi 2-dimensional uranium dipnictide USb{sub 2} single crystal, thereby contributing to the understanding of their surface structural and electronic properties. The members of this interesting UX{sub 2} (X=P, As, Sb, Bi) series of compounds display dual localized and itinerant 5f electron behavior within the same compound due to the hybridization of the 5f orbitals with the conduction band. With the exception of UO{sub 2}, which has to be studied at elevated temperature to generate enough carriers for STM imaging, STM techniques have not been applied successfully to the characterization of the surface atomic structure of any other single crystal actinide compound, to the best of our knowledge. However, STM has been used to a limited extent for the study of some cerium compounds. STM probes electronic properties at the atomic level and can directly provide information about the local density of filled and empty states (LDOS) states simultaneously. A STM topograph provides the local atomic arrangement and spacing of the atoms on the surface, local defect structures (e.g. steps, vacancies, and kink sites) and the presence of contaminants

  11. Investigation on crystalline perfection, mechanical, piezoelectric and ferroelectric properties of L-tartaric acid single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Murugan, G. Senthil, E-mail: nanosen@gmail.com; Ramasamy, P., E-mail: nanosen@gmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam, Tamilnadu - 603110 (India)

    2014-04-24

    Polar organic nonlinear optical material, L-tartaric acid single crystals have been grown from slow evaporation solution growth technique. Single crystal X-ray diffraction study indicates that the grown crystal crystallized in monoclinic system with space group P2{sub 1}. Crystalline perfection of the crystal has been evaluated by high resolution X-ray diffraction technique and it reveals that the crystal quality is good and free from structural grain boundaries. Mechanical stability of the crystal has been analyzed by Vickers microhardness measurement and it exhibits reverse indentation size effect. Piezoelectric d{sub 33} co-efficient for the crystal has been examined and its value is 47 pC/N. The ferroelectric behaviour of the crystal was analyzed by polarization-electric field hysteresis loop measurement.

  12. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Oct , has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  13. Structural and optical properties of Cd2+ ion on the growth of sulphamic acid single crystals

    Science.gov (United States)

    Rajyalakshmi, S.; Rao, Valluru Srinivasa; Reddy, P. V. S. S. S. N.; Krishna, V. Y. Rama; Samatha, K.; Rao, K. Ramachandra

    2016-05-01

    Transparent single crystals of Cadmium doped Sulphamic acid (SA) was grown by Conventional slow evaporation solution technique (SEST) which had the size of 13 × 8 × 7 mm3. The grown single crystals have been characterized using single crystal X-ray diffraction UV-visible Spectral studies and Second harmonic generation (SHG) efficiency and the results were discussed. The lattice parameters of the grown Cd2+ ion doped SA crystal are confirmed by single crystal X-ray diffraction and belong to orthorhombic system. Optical transmittance of the crystal was recorded using UV-vis NIR spectrophotometer with its lower cut off wavelength around 259nm. SHG measurements indicate that the SHG efficiency of the grown Cd2+ ion doped SA crystal at a fundamental wavelength of 1064 nm is approximately equal to KDP.

  14. Spectral, mechanical, thermal, optical and solid state parameters, of metal-organic bis(hydrogenmaleate)-CO(II) tetrahydrate crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chandran, Senthilkumar [Centre for Crystal Growth, Department of Physics, SSN College of Engineering, Kalavakkam 603110 (India); Jagan, R. [Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036 (India); Paulraj, Rajesh, E-mail: rajeshp@ssn.edu.in [Centre for Crystal Growth, Department of Physics, SSN College of Engineering, Kalavakkam 603110 (India); Ramasamy, P. [Centre for Crystal Growth, Department of Physics, SSN College of Engineering, Kalavakkam 603110 (India)

    2015-10-15

    Metal-organic bis(hydrogenmaleate)-Co(II) tetrahydrate single crystals have been grown by slow evaporation solution growth technique at room temperature. The crystal structure and the unit cell parameters were analyzed from the X-ray diffraction studies. Single-crystal X-ray diffraction analyses reveal that the grown crystal belongs to triclinic system with the space group P-1. Functional groups in bis(hydrogenmaleate)-Co(II) tetrahydrate were identified by Fourier transform infrared spectral analysis. The peak observed at 663 cm{sup −1} is assigned to the (Co–O) stretching vibrations. The optical transmission of the crystal was studied by UV–vis–NIR spectral analysis. The photoluminescence emission studies were carried out for the title compound in a wide wavelength range between 350 nm and 550 nm at 303 K. Mechanical strength was tested by Vickers microhardness test. The laser damage threshold value has been determined using Nd:YAG laser operating at 1064 nm. At various frequencies and temperatures the dielectric behavior of the material was investigated. Solid state parameters such as plasma energy, Penn gap, Fermi energy and electronic polarizability were evaluated. Photoconductivity measurements were carried out for the grown crystal in the presence of DC electric field at room temperature. Thermal stability and decomposition of the crystal were studied by TG–DTA. The weight loss of the title compound occurs in different steps. - Graphical abstract: Molecular structure of the bis(hydrogenmaleate)-Co(II) tetrahydrate drawn at 40% ellipsoid probability level. - Highlights: • Bis(hydrogenmaleate)-Co(II) tetrahydrate single crystal is grown by slow evaporation method. • Structural and optical properties were discussed. • The title complex crystal is thermally stable up to 91 °C. • Plasma energy, Fermi energy and electronic polarizability are evaluated. • It exhibits positive photoconductivity.

  15. Single sheet metal oxides and hydroxides

    DEFF Research Database (Denmark)

    Huang, Lizhi

    The synthesis of layered double hydroxides (LDHs) provides a relatively easy and traditional way to build versatile chemical compounds with a rough control of the bulk structure. The delamination of LDHs to form their single host layers (2D nanosheets) and the capability to reassemble them offer ......) Delamination of the LDHs structure (oxGRC12) with the formation of single sheet iron (hydr)oxide (SSI). (3) Assembly of the new 2D nanosheets layer by layer to achieve desired functionalities....

  16. Single-layer transition metal sulfide catalysts

    Science.gov (United States)

    Thoma, Steven G [Albuquerque, NM

    2011-05-31

    Transition Metal Sulfides (TMS), such as molybdenum disulfide (MoS.sub.2), are the petroleum industry's "workhorse" catalysts for upgrading heavy petroleum feedstocks and removing sulfur, nitrogen and other pollutants from fuels. We have developed an improved synthesis technique to produce SLTMS catalysts, such as molybdenum disulfide, with potentially greater activity and specificity than those currently available. Applications for this technology include heavy feed upgrading, in-situ catalysis, bio-fuel conversion and coal liquefaction.

  17. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Cryogenic fluid transfer components using single crystal piezoelectric actuators are proposed to enable low thermal mass, minimal heat leak, low power consumption...

  18. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Cryogenic fluid transfer components using single crystal piezoelectric actuators are proposed to enable low thermal mass, minimal heat leak, low power consumption...

  19. Advanced Electroactive Single Crystal and Polymer Actuator Concepts for Passive Optics, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — TRS Technologies proposes large stroke and high precision piezoelectric single crystal and electroactive polymer actuator concepts?HYBrid Actuation System (HYBAS)...

  20. Cryogenic Clamp-on Ultrasonic Flowmeters using Single Crystal Piezoelectric Transducers, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Clamp-on ultrasound cryogenic flowmeters using single crystal piezoelectric transducers are proposed to enable reliable, accurate cryogenic instrumentation needs in...

  1. Ion beam synthesis of buried single crystal erbium silicide

    International Nuclear Information System (INIS)

    Golanski, A.; Feenstra, R.; Galloway, M.D.; Park, J.L.; Pennycook, S.J.; Harmon, H.E.; White, C.W.

    1990-01-01

    High doses (10 16 --10 17 /cm 2 ) of 170 keV Er + were implanted into single-crystal left-angle 111 right-angle Si at implantation temperatures between 350 degree C and 520 degree C. Annealing at 800 degree C in vacuum following the implant, the growth and coalescence of ErSi 2 precipitates leads to a buried single crystalline ErSi 2 layer. This has been studied using Rutherford backscattering/channeling, X-ray diffraction, cross-sectional TEM and resistance versus temperature measurements. Samples implanted at 520 degree C using an Er dose of 7 x 10 16 /cm 2 and thermally annealed were subsequently used as seeds for the mesoepitaxial growth of the buried layer during a second implantation and annealing process. Growth occurs meso-epitaxially along both interfaces through beam induced, defect mediated mobility of Er atoms. The crystalline quality of the ErSi 2 layer strongly depends on the temperature during the second implantation. 12 refs., 4 figs

  2. A novel numerical framework for self-similarity in plasticity: Wedge indentation in single crystals

    Science.gov (United States)

    Juul, K. J.; Niordson, C. F.; Nielsen, K. L.; Kysar, J. W.

    2018-03-01

    A novel numerical framework for analyzing self-similar problems in plasticity is developed and demonstrated. Self-similar problems of this kind include processes such as stationary cracks, void growth, indentation etc. The proposed technique offers a simple and efficient method for handling this class of complex problems by avoiding issues related to traditional Lagrangian procedures. Moreover, the proposed technique allows for focusing the mesh in the region of interest. In the present paper, the technique is exploited to analyze the well-known wedge indentation problem of an elastic-viscoplastic single crystal. However, the framework may be readily adapted to any constitutive law of interest. The main focus herein is the development of the self-similar framework, while the indentation study serves primarily as verification of the technique by comparing to existing numerical and analytical studies. In this study, the three most common metal crystal structures will be investigated, namely the face-centered cubic (FCC), body-centered cubic (BCC), and hexagonal close packed (HCP) crystal structures, where the stress and slip rate fields around the moving contact point singularity are presented.

  3. First- and second-order Raman scattering from MoTe2 single crystal

    Science.gov (United States)

    Caramazza, Simone; Collina, Arianna; Stellino, Elena; Ripanti, Francesca; Dore, Paolo; Postorino, Paolo

    2018-02-01

    We report on Raman experiments performed on a MoTe2 single crystal. The system belongs to the wide family of transition metal dichalcogenides which includes several of the most interesting two-dimensional materials for both basic and applied physics. Measurements were performed in the standard basal plane configuration, by placing the ab plane of the crystal perpendicular to the wave vector k i of the incident beam to explore the in-plane vibrational modes, and in the edge plane configuration with k i perpendicular to the crystal c axis, thus mainly exciting out-of-plane modes. For both configurations we performed a polarization-dependent study of the first-order Raman components and detailed computation of the corresponding selection rules. We were thus able to provide a complete assignment of the observed first-order Raman peaks, in agreement with previous literature results. A thorough analysis of the second-order Raman bands, as observed in both basal and edge plane configurations, provides new information and allows a precise assignment of these spectral structures. In particular, we have observed and assigned Raman active modes of the M point of the Brillouin zone previously predicted by ab initio calculations but never previously measured.

  4. Crystal Structure and Physical Properties of U3T3Sn4 (T = Ni, Cu) Single-Crystals

    OpenAIRE

    Shlyk, L.; Estrela, P.; Waerenborgh, J. C.; De Long, L. E.; de Visser, A.; Rojas, D. P.; Gandra, F.; Almeida, M.

    2000-01-01

    Heat capacity experiments, crystal structure determination and transmission electron microscopy have been carried out on U3Cu3Sn4 single-crystals. U3Cu3Sn4 was confirmed to be a heavy-fermion antiferromagnet (TN=13(1) K) with a low temperature electronic heat capacity coefficient gamma=390 mJ/molUK2. Low temperature heat capacity experiments on a U3Ni3Sn4 single-crystal indicate that below 0.4 K there is a crossover between the previously observed non-Fermi liquid behavior and a Fermi liquid ...

  5. Single-photon imaging in complementary metal oxide semiconductor processes

    NARCIS (Netherlands)

    Charbon, E.

    2014-01-01

    This paper describes the basics of single-photon counting in complementary metal oxide semiconductors, through single-photon avalanche diodes (SPADs), and the making of miniaturized pixels with photon-counting capability based on SPADs. Some applications, which may take advantage of SPAD image

  6. Synthesis and Single Crystal X-Ray Crystallographic Analysis of 2 ...

    African Journals Online (AJOL)

    dihydropyrimidin-1-ium) tetrachlorocobaltate(II) [H2pymo]2[CoCl4]. The compound was re-crystallized in diethyl ether to obtain a suitable single crystal for X-ray diffraction analysis which revealed a molecule crystallizes in the orthorhombic ...

  7. D.C. electrical conductivity measurements on ADP single crystals ...

    Indian Academy of Sciences (India)

    Unknown

    beaker (corning glass vessel) and allowed to equilibrate at the desired temperature. The crystals were grown in unstirred condition. The temperature and volume were kept constant, respectively at 30°C and 20 ml in all the crystal growth experiments. Small crystals appeared in the beginning due to slow evaporation and ...

  8. Thiourea-doped ammonium dihydrogen phosphate: A single crystal ...

    Indian Academy of Sciences (India)

    Thiourea-doped ammonium dihydrogen phosphate (TADP) exhibits nonlinear optical property and the second harmonic generation efficiency of these crystals is three times that of pure ammonium dihydrogen phosphate (ADP) crystal. In this context, the study of structural distortion in the thiourea-doped ADP crystal is ...

  9. Single-crystal elastic constants of natural ettringite

    KAUST Repository

    Speziale, Sergio

    2008-07-01

    The single-crystal elastic constants of natural ettringite were determined by Brillouin spectroscopy at ambient conditions. The six non-zero elastic constants of this trigonal mineral are: C11 = 35.1 ± 0.1 GPa, C12 = 21.9 ±0.1 GPa, C13 = 20.0 ± 0.5 GPa, C14 = 0.6 ± 0.2 GPa, C33 = 55 ± 1 GPa, C44 = 11.0 ± 0.2 GPa. The Hill average of the aggregate bulk, shear modulus and the polycrystal Young\\'s modulus and Poisson\\'s ratio are 27.3 ± 0.9 GPa, 9.5 ± 0.8 GPa, 25 ± 2 GPa and 0.34 ± 0.02 respectively. The longitudinal and shear elastic anisotropy are C33/C11 = 0.64 ± 0.01 and C66/C44 =0.60 ± 0.01. The elastic anisotropy in ettringite is connected to its crystallographic structure. Stiff chains of [Al(OH)6]3- octahedra alternating with triplets of Ca2+ in eight-fold coordination run parallel to the c-axis leading to higher stiffness along this direction. The determination of the elastic stiffness tensor can help in the prediction of the early age properties of cement paste when ettringite crystals precipitate and in the modeling of both internal and external sulfate attack when secondary ettringite formation leads to expansion of concrete. © 2008 Elsevier Ltd. All rights reserved.

  10. Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Zhi, E-mail: zhuang@meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Yoshimura, Hideyuki, E-mail: hyoshi@isc.meiji.ac.jp [Department of Physics, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Aizawa, Mamoru, E-mail: mamorua@isc.meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)

    2013-07-01

    Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel.

  11. Materials Chemistry Issues in the Development of a Single-Crystal Solar/Thermal Refractive Secondary Concentrator

    Science.gov (United States)

    Jacobson, Nathan S.; Biering, Robert C.

    2005-01-01

    A translucent crystal concentrates and transmits energy to a heat exchanger, which in turn heats a propellant gas, working gas of a dynamic power system, or a thermopile. Materials are the limiting issue in such a system. Central is the durability of the crystal, which must maintain the required chemical, physical/optical, and mechanical properties as it is heated and cooled. This report summarizes available data to date on the materials issues with this system. We focus on the current leading candidate materials, which are sapphire (Al2O3) for higher temperatures and silica (SiO2) for lower temperatures. We use data from thermochemical calculations; laboratory coupon tests with silica and sapphire; and system tests with sapphire. The required chemical properties include low-vapor pressure and interfacial stability with supporting structural materials. Optical properties such as transmittance and index of refraction must be maintained. Thermomechanical stability is a major challenge for a large, single-crystal ceramic and has been discussed in another report. In addition to the crystal, other materials in the proposed system include refractory metals (Nb, Ta, Mo, W, and Re), carbon (C), and high-temperature ceramic insulation. The major issue here is low levels of oxygen, which lead to volatile refractory metal oxides and rapid consumption of the refractory metal. Interfacial reactions between the ceramic crystal and refractory metal are also discussed. Finally, high-temperature ceramic insulating materials are also likely to be used in this system. Outgassing is a major issue for these materials. The products of outgassing are typically reactive with the refractory metals and must be minimized.

  12. Structural and magnetic ordering of CrNb3S6 single crystals grown by gas transport method

    Science.gov (United States)

    Borisenko, E. B.; Berezin, V. A.; Kolesnikov, N. N.; Gartman, V. K.; Matveev, D. V.; Shakhlevich, O. F.

    2017-07-01

    Paramagnetic layered semiconductor NbS2 doped with some transition metals can transform into ferromagnetic material. That is why such materials are promising candidates for spintronic devices. It is found that only at certain concentrations of a doping metal T crystallographic ordering is possible, which is essential for magnetic ordering of ternary compounds TNbS2. In particular, CrNb3S6 crystals are studied, which form almost completely ordered superstructure with intercalated Cr between NbS2 layers. The main difficulty in crystal growth is reaching stoichiometry of the compound. This problem is solved in the developed method of two-staged gas transport chemical reaction. This new approach provides growth of CrNb3S6 single crystals of several millimeters in diameter and 0.3-0.5 mm thickness. X-ray phase analysis (XRD) of powders is performed to identify all phases involved in synthesis and growth of the crystals. High frequency absorption in external periodic magnetic field as a function of temperature and intensity of magnetic field is used to estimate the temperature of ferromagnetic transition in CrNb3S6 single crystals. The Curie temperature is estimated as 115 K. Growth of CrNb3S6 crystals from vapor phase is studied in detail and full analysis of phase transitions during growth is given. It has been shown that using of high frequency absorption in the crystal provides reliable estimation of the point of ferromagnetic transition in this semiconductor. The authors are grateful to the Physical Science Department of Russian Academy of Sciences for financial support of the studies in the frameworks of the program "Physics of new materials and structures" (project no. 00-12-10).

  13. Seed crystal in growth of KDP single crystal for optical harmonic generation

    International Nuclear Information System (INIS)

    Shimomura, Osamu

    1985-01-01

    As for the crystal growth of KDP for optical harmonic generation, the employment of (101) seed crystal plate could reduce crystal growth period in comparison with the employment of conventional (001) seed crystal plate except the case of low phase matching angle. This paper describes seed crystal in the case of types I and II of phase matching, evaluation of minimum crystal volume to cut necessary volume crystal plate for optical harmonic generation in the case of types I and II for (001) and (101) crystal plates, results and discussion of numerical analysis of KDP crystal growth for the above-mentioned cases and experimental results of actual KDP crystal growth. It was clarified from these examinations that the use of a (101) crystal plate as a seed showed faster crystal growth regardless of theta m, a phase matching angle. It was also shown that the minimum crystal volume to cut the necessary volume crystal for optical harmonic generation became less by employing a (101) crystal plate than employing a (001) crystal in the case of high phase matching angle, namely theta m > 23.7 0 for type I and theta m > 11.6 0 for type II. Example calculations showed that 54.4 % of crystal growth period for type I and 33.8 % of that for type II was needed for the (101) seed crystal plate in comparison with the case of the (001) seed crystal plate. It was speculated that this conclusion might be applicable also for DKDP or ADP crystals growth. (Takagi, S.)

  14. Effect of crystal orientation on conductivity and electron mobility in single-crystal alumina

    Science.gov (United States)

    Will, Fritz G.; Delorenzi, Horst G.; Janora, Kevin H.

    1992-01-01

    The electrical conductivity of high-purity, single-crystal alumina is determined parallel to and perpendicular to the c-axis. The mean conductivity of four samples of each orientation is a factor 3.3 higher parallel to the c-axis than perpendicular to it. The conductivity as a function of temperature is attributed to extrinsic electron conduction at temperatures from 400 to 900 C, and intrinsic semiconduction at temperatures from 900 to 1300 C. In the high-temperature regime, the slope on all eight specimens is 4.7 +/- 0.1 eV. Hence, the thermal bandgap at O K is 9.4 +/- 0.2 eV.

  15. Crystal structure of La2Mo2O9 single crystals doped with bismuth

    International Nuclear Information System (INIS)

    Alekseeva, O. A.; Verin, I. A.; Sorokina, N. I.; Krasil'nikova, A. E.; Voronkova, V. I.

    2010-01-01

    Precision X-ray diffraction studies of La 2-x Bi x Mo 2 O 9 (x = 0.04, 0.06, and 0.18) single crystals are performed. It is found that in the compounds doped with bismuth, analogously with the structure of the metastable β ms phase of pure La 2 Mo 2 O 9 (LM), the La, Mo1, and O1 atoms deviate from the threefold axis on which they are located in the high-temperature β phase. It is shown that bismuth atoms substitute for part of lanthanum atoms and occupy a position at the threefold axis in the neighborhood of the split lanthanum position. The implantation of bismuth atoms in the LM structure results in the return of a part of the molybdenum atoms to the position at the threefold axis. The occupancy of this position is equal to the occupancy of the bismuth atomic position.

  16. SINGLE-CRYSTAL SAPPHIRE OPTICAL FIBER SENSOR INSTRUMENTATION

    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May

    2002-09-10

    Accurate measurement of temperature is essential for the safe and efficient operation and control of a wide range of industrial processes. Appropriate techniques and instrumentation are needed depending on the temperature measurement requirements in different industrial processes and working environments. Harsh environments are common in many industrial applications. These harsh environments may involve extreme physical conditions, such as high-temperature, high-pressure, corrosive agents, toxicity, strong electromagnetic interference, and high-energy radiation exposure. Due to these severe environmental conditions, conventional temperature sensors are often difficult to apply. This situation has opened a new but challenging opportunity for the sensor society to provide robust, high-performance, and cost-effective temperature sensors capable of operating in those harsh environments. The focus of this research program has been to develop a temperature measurement system for temperature measurements in the primary and secondary stages of slagging gasifiers. For this application the temperature measurement system must be able to withstand the extremely harsh environment posed by the high temperatures and corrosive agents present in these systems. Real-time, accurate and reliable monitoring of temperature for the coal gasification process is important to realize the full economic potential of these gasification systems. Long life and stability of operation in the high temperature environment is essential for the temperature measurement system to ensure the continuous running of the coal gasification system over the long term. In this high temperature and chemically corrosive environment, rather limited high temperature measurement techniques such as high temperature thermocouples and optical/acoustic pyrometers are available, each with their own limitations. In this research program, five different temperature sensing schemes based on the single crystal sapphire

  17. SINGLE-CRYSTAL SAPPHIRE OPTICAL FIBER SENSOR INSTRUMENTATION

    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May

    2002-10-18

    Accurate measurement of temperature is essential for the safe and efficient operation and control of a wide range of industrial processes. Appropriate techniques and instrumentation are needed depending on the temperature measurement requirements in different industrial processes and working environments. Harsh environments are common in many industrial applications. These harsh environments may involve extreme physical conditions, such as high-temperature, high-pressure, corrosive agents, toxicity, strong electromagnetic interference, and high-energy radiation exposure. Due to these severe environmental conditions, conventional temperature sensors are often difficult to apply. This situation has opened a new but challenging opportunity for the sensor society to provide robust, high-performance, and cost-effective temperature sensors capable of operating in those harsh environments. The focus of this research program has been to develop a temperature measurement system for temperature measurements in the primary and secondary stages of slagging gasifiers. For this application the temperature measurement system must be able to withstand the extremely harsh environment posed by the high temperatures and corrosive agents present in these systems. Real-time, accurate and reliable monitoring of temperature for the coal gasification process is important to realize the full economic potential of these gasification systems. Long life and stability of operation in the high temperature environment is essential for the temperature measurement system to ensure the continuous running of the coal gasification system over the long term. In this high temperature and chemically corrosive environment, rather limited high temperature measurement techniques such as high temperature thermocouples and optical/acoustic pyrometers are available, each with their own limitations. In this research program, five different temperature sensing schemes based on the single crystal sapphire

  18. Crystallographic, Magnetic, Thermal, and Electric Transport Properties in UPtIn Single Crystal

    Science.gov (United States)

    Matsumoto, Yuji; Haga, Yoshinori; Tateiwa, Naoyuki; Yamamoto, Etsuji; Fisk, Zachary

    2018-02-01

    We have studied the crystallographic, magnetic, thermal, and electric transport properties in UPtIn, one of the UTX (T = transition metal, X = Al, Ga, In) families with the hexagonal ZrNiAl structure. A single crystal of UPtIn was prepared by the flux method for the first time. Crystallographic parameters are determined. UPtIn has strong Ising character, the magnetic easy axis being the c-axis. These results determined magnetic properties are consistent with the magnetic structure obtained by neutron scattering measurements. The residual resistivity of our single crystal is 27.9 µΩ cm which is one-third times smaller than that of polycrystalline sample. Specific heat (C) measurements show that the phase transition at 10.5 K, although the antiferromagnetic order takes place at 22 K prepared by arc melt and at 15 K prepared by solid reaction, indicating that the physical properties of UPtIn are dependent on the sample preparation. C/T deviates from T-linear behavior below 1.4 K, indicating that the electronic specific heat coefficient γ is much smaller than that of previous study. The resistivity is almost independent to the temperature below 3.7 K and A coefficient of the quadratic temperature dependence of electrical resistivity is small, indicating that the mass enhancement is small. These results indicate that UPtIn is not a heavy-fermion system.

  19. Growth of ultra radiation hard NaBi(WO4)2 single crystal

    International Nuclear Information System (INIS)

    Govind Singh, S.; Tyagi, Mohit; Singh, Awadh K.; Sangeeta

    2009-01-01

    Single crystals of undoped NaBi(WO 4 ) 2 were grown under different condition by Czochralski technique. Radiation hardness of the crystals was studied by irradiating them up to 10''5 and 10''6 Gy dose at a fast rate (2 Gy/sec) using 60 Co as a gamma source. Transmission spectra of the crystal samples were recorded and analyzed. It is found that crystal grown from recrystalized charge shows very good optical quality and excellent radiation hardness. (author)

  20. Growth and characterization of 4-chloro-3-nitrobenzophenone single crystals using vertical Bridgman technique

    Energy Technology Data Exchange (ETDEWEB)

    Aravinth, K., E-mail: anandcgc@gmail.com; Babu, G. Anandha, E-mail: anandcgc@gmail.com; Ramasamy, P., E-mail: anandcgc@gmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam -603110, Tamilnadu (India)

    2014-04-24

    4-chloro-3-nitrobenzophenone (4C3N) has been grown by using vertical Bridgman technique. The grown crystal was confirmed by Powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. The fluorescence spectra of grown 4C3N single crystals exhibit emission peak at 575 nm. The micro hardness measurements were used to analyze the mechanical property of the grown crystal.

  1. Noble metal free photocatalytic H2 generation on black TiO2: On the influence of crystal facets vs. crystal damage

    Science.gov (United States)

    Liu, Ning; Steinrück, Hans-Georg; Osvet, Andres; Yang, Yuyun; Schmuki, Patrik

    2017-02-01

    In this study, we investigate noble metal free photocatalytic water splitting on natural anatase single crystal facets and on wafer slices of the [001] plane before and after these surfaces have been modified by high pressure hydrogenation and hydrogen ion-implantation. We find that on the natural, intact low index planes, photocatalytic H2 evolution (in the absence of a noble metal co-catalyst) can only be achieved when the hydrogenation treatment is accompanied by the introduction of crystal damage, such as simple scratching and miscut in the crystal, or by implantation damage. X-ray reflectivity, Raman, and optical reflection measurements show that plain hydrogenation leads to a ≈ 1 nm thick black titania surface layer without activity, while a colorless, density modified, and ≈7 nm thick layer with broken crystal symmetry is present on the ion implanted surface. These results demonstrate that (i) the H-treatment of an intact anatase surface needs to be combined with defect formation for catalytic activation and (ii) activation does not necessarily coincide with the presence of black color.

  2. Electrolytic coloration and spectral properties of hydroxyl-doped potassium chloride single crystals

    International Nuclear Information System (INIS)

    Gu Hongen; Wu Yanru

    2011-01-01

    Hydroxyl-doped potassium chloride single crystals are colored electrolytically at various temperatures and voltages using a pointed cathode and a flat anode. Characteristic OH - spectral band is observed in the absorption spectrum of uncolored single crystal. Characteristic O - , OH - , U, V 2 , V 3 , O 2- -V a + , F, R 2 and M spectral bands are observed simultaneously in absorption spectra of colored single crystals. Current-time curve for electrolytic coloration of hydroxyl-doped potassium chloride single crystal and its relationship with electrolytic coloration process are given. Production and conversion of color centers are explained. - Highlights: → Expanded the traditional electrolysis method. → Hydroxyl-doped potassium chloride crystals were colored electrolytically for the first time. → Useful V, F and F-aggregate color centers were produced in colored crystals. → V color centers were produced directly and F and F-aggregate color centers indirectly.

  3. Capillarity creates single-crystal calcite nanowires from amorphous calcium carbonate.

    Science.gov (United States)

    Kim, Yi-Yeoun; Hetherington, Nicola B J; Noel, Elizabeth H; Kröger, Roland; Charnock, John M; Christenson, Hugo K; Meldrum, Fiona C

    2011-12-23

    Single-crystal calcite nanowires are formed by crystallization of morphologically equivalent amorphous calcium carbonate (ACC) particles within the pores of track etch membranes. The polyaspartic acid stabilized ACC is drawn into the membrane pores by capillary action, and the single-crystal nature of the nanowires is attributed to the limited contact of the intramembrane ACC particle with the bulk solution. The reaction environment then supports transformation to a single-crystal product. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Temperature effect on phase states of quartz nano-crystals in silicon single crystal

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

  5. Plasmonic excitations on metallic nanowires embedded in silica photonic crystal fibers

    International Nuclear Information System (INIS)

    Prill Sempere, Luis

    2010-01-01

    This thesis describes the theoretical and experimental investigation of metal-filled photonic crystal fibers (PCFs) and their fabrication. The thesis explains how to overcome the obstacles when infiltrating molten metals into sub-micron holes in fused silica (SiO 2 ) PCF. The optical properties of such filled fibers are theoretically and experimentally investigated, focusing on the coupling between the core mode of the fibers and the surface plasmon polaritons (SPPs) on the metal wires. The thesis introduces the ideas, physical challenges and results of two new filling techniques: the pressure cell technique and the splicing technique. These techniques make it possible for the first time to fill different fiber structures with sub-micron sized holes, such as PCFs and single-hole capillaries, with different metals like gold (Au) and silver (Ag). Samples with hole diameters between 120 nm and 20 μm and aspect ratios as high as 75000 have been realized. Theoretical simulations and models have been developed in order to understand the optical behavior of these novel structures. The light guided in the core of the filled PCF structure will couple to SPP modes on the wires. Several measurements have been performed to determine the resonance wavelengths and losses of such filled PCF structures. Also, different phenomena such as the shift of the resonance position with the wire diameter or pitch and the polarization dependence of SPP in polarization maintaining (PM)-PCF have been investigated. The fabrication of free standing metal arrays was another focus of this work. The critical question was how to remove the surrounding SiO 2 from the metal wires. Two different approaches have been tried: etching of the SiO 2 and cleaving the PCF. (orig.)

  6. Plasmonic excitations on metallic nanowires embedded in silica photonic crystal fibers

    Energy Technology Data Exchange (ETDEWEB)

    Prill Sempere, Luis

    2010-06-17

    This thesis describes the theoretical and experimental investigation of metal-filled photonic crystal fibers (PCFs) and their fabrication. The thesis explains how to overcome the obstacles when infiltrating molten metals into sub-micron holes in fused silica (SiO{sub 2}) PCF. The optical properties of such filled fibers are theoretically and experimentally investigated, focusing on the coupling between the core mode of the fibers and the surface plasmon polaritons (SPPs) on the metal wires. The thesis introduces the ideas, physical challenges and results of two new filling techniques: the pressure cell technique and the splicing technique. These techniques make it possible for the first time to fill different fiber structures with sub-micron sized holes, such as PCFs and single-hole capillaries, with different metals like gold (Au) and silver (Ag). Samples with hole diameters between 120 nm and 20 {mu}m and aspect ratios as high as 75000 have been realized. Theoretical simulations and models have been developed in order to understand the optical behavior of these novel structures. The light guided in the core of the filled PCF structure will couple to SPP modes on the wires. Several measurements have been performed to determine the resonance wavelengths and losses of such filled PCF structures. Also, different phenomena such as the shift of the resonance position with the wire diameter or pitch and the polarization dependence of SPP in polarization maintaining (PM)-PCF have been investigated. The fabrication of free standing metal arrays was another focus of this work. The critical question was how to remove the surrounding SiO{sub 2} from the metal wires. Two different approaches have been tried: etching of the SiO{sub 2} and cleaving the PCF. (orig.)

  7. Piezoelectric properties of Sr3 Ga2 Ge4 O14 single crystals

    Indian Academy of Sciences (India)

    ... determined with resonance and anti-resonance frequencies method by using the impedance analyzer (Agilent 4294A). The results show that the piezoelectric strain constants and electromechanical coupling factors of SGG single crystal are higher than those of LGS single crystals making it a potential substrate material ...

  8. Arc-melting preparation of single crystal LaB6 cathodes

    International Nuclear Information System (INIS)

    Gibson, E.D.; Verhoeven, J.D.

    1977-01-01

    A method for preparing single crystals of lanthanum hexaboride (LaB 6 ) by arc melting a rod of compacted LaB 6 powder is discussed. The method is especially suitable for preparing single-crystal LaB 6 cathodes for use in scanning electron microscopes (SEM) and scanning transmission electron microscopes (STEM). 1 figure, 1 table

  9. Probing the crossover in CO desorption from single crystal to nanoparticulate Ru model catalysts

    DEFF Research Database (Denmark)

    Murphy, Shane; Strebel, Christian Ejersbo; Vendelbo, Søren Bastholm

    2011-01-01

    Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles.......Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles....

  10. Growth and study of some gel grown group II single crystals of iodate

    Indian Academy of Sciences (India)

    Unknown

    Page 1 ... Abstract. Single crystals of calcium iodate and barium iodate were grown by simple gel technique by single diffusion method. The optimum conditions were established by varying various parameters such as pH of gel solution, gel concentration, gel setting time, concentration of the reactants etc. Crystals having ...

  11. DEVELOPMENT OF PROTECTIVE COATINGS FOR SINGLE CRYSTAL TURBINE BLADES

    Energy Technology Data Exchange (ETDEWEB)

    Amarendra K. Rai

    2006-12-04

    Turbine blades in coal derived syngas systems are subject to oxidation and corrosion due to high steam temperature and pressure. Thermal barrier coatings (TBCs) are developed to address these problems. The emphasis is on prime-reliant design and a better coating architecture, having high temperature and corrosion resistance properties for turbine blades. In Phase I, UES Inc. proposed to develop, characterize and optimize a prime reliant TBC system, having smooth and defect-free NiCoCrAlY bond layer and a defect free oxide sublayer, using a filtered arc technology. Phase I work demonstrated the deposition of highly dense, smooth and defect free NiCoCrAlY bond coat on a single crystal CMSX-4 substrate and the deposition of alpha-alumina and yttrium aluminum garnet (YAG) sublayer on top of the bond coat. Isothermal and cyclic oxidation test and pre- and post-characterization of these layers, in Phase I work, (with and without top TBC layer of commercial EB PVD YSZ) revealed significant performance enhancement.

  12. ZnO powders as multi-facet single crystals.

    Science.gov (United States)

    Haque, Francia; Chenot, Stéphane; Viñes, Francesc; Illas, Francesc; Stankic, Slavica; Jupille, Jacques

    2017-04-19

    Oxides are most commonly found in divided forms with properties difficult to control since their crystallographic orientations usually escape analysis. To overcome this an appropriate model system can be provided by ZnO smoke which, obtained by combustion of Zn in air, exhibits nanoparticles with well-defined surface facets. The present work focuses on the interaction of water with ZnO smokes by combining density functional theory based simulations and infrared spectroscopy measurements with applied pressures from 10 -7 to 1 mbar. We demonstrate that the use of ultra-high vacuum allows the analysis of the very first stages of the adsorption, and report on water structures on ZnO(112[combining macron]0) for the first time. We further show that ZnO powders behave as multi-facet single crystals involving (101[combining macron]0), (112[combining macron]0), (0001), and (0001[combining macron]) surfaces with the polar orientations corresponding to 25% of the total surface area. A great deal of cross-agreements between experimental results and simulation provides a simple approach for the examination of hydroxylated/hydrated ZnO smokes and can be widely applied on other ZnO-related powders.

  13. Radiation tolerance of piezoelectric bulk single-crystal aluminum nitride.

    Science.gov (United States)

    Parks, David A; Tittmann, Bernhard R

    2014-07-01

    For practical use in harsh radiation environments, we pose selection criteria for piezoelectric materials for non-destructive evaluation (NDE) and material characterization. Using these criteria, piezoelectric aluminum nitride is shown to be an excellent candidate. The results of tests on an aluminum-nitride- based transducer operating in a nuclear reactor are also presented. We demonstrate the tolerance of single-crystal piezoelectric aluminum nitride after fast and thermal neutron fluences of 1.85 x 10(18) neutron/cm(2) and 5.8 x 10(18) neutron/ cm(2), respectively, and a gamma dose of 26.8 MGy. The radiation hardness of AlN is most evident from the unaltered piezoelectric coefficient d33, which measured 5.5 pC/N after a fast and thermal neutron exposure in a nuclear reactor core for over 120 MWh, in agreement with the published literature value. The results offer potential for improving reactor safety and furthering the understanding of radiation effects on materials by enabling structural health monitoring and NDE in spite of the high levels of radiation and high temperatures, which are known to destroy typical commercial ultrasonic transducers.

  14. Understanding surface structure and chemistry of single crystal lanthanum aluminate

    KAUST Repository

    Pramana, Stevin S.

    2017-03-02

    The surface crystallography and chemistry of a LaAlO3 single crystal, a material mainly used as a substrate to deposit technologically important thin films (e.g. for superconducting and magnetic devices), was analysed using surface X-ray diffraction and low energy ion scattering spectroscopy. The surface was determined to be terminated by Al-O species, and was significantly different from the idealised bulk structure. Termination reversal was not observed at higher temperature (600 °C) and chamber pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost surface from 0.245(10) to 0.325(9). In contrast the LaO, which is located at the next sub-surface atomic layer, showed no chemical enrichment and the structural relaxation was lower than for the top AlO2 layer. Knowledge of the surface structure will aid the understanding of how and which type of interface will be formed when LaAlO3 is used as a substrate as a function of temperature and pressure, and so lead to improved design of device structures.

  15. The CCP14 for single crystal and powder diffraction

    International Nuclear Information System (INIS)

    Cranswick, L.M.D.

    1999-01-01

    Full text: The Collaborative Computation Project Number 14 for Single Crystal and Powder Diffraction (CCP14) is continuing in its objective to provide freely available software and resources for the powder diffraction and crystallographic community. Using the Internet and World Wide Web, we are presently compiling software and web resources, creating tutorials and help files. It also endeavours to encourage and provide resources to assist program authors with developing their software. The CCP14 presently has its web-site at and a mirror at (at CSIRO, Melbourne, Australia). Auto web-mirroring is being implemented to allow users to obtain software and access to resources in a more time effective manner. For people in countries isolated from the Internet, the CCP14 on CD-ROM can be snail mailed on request. This is in the form of a Virtual World Wide Web/Virtual Internet; in the same vein as the existing Crystallographic Nexus CD-ROM. Copyright (1999) Australian X-ray Analytical Association Inc

  16. What is the role of rhenium in single crystal superalloys?

    Directory of Open Access Journals (Sweden)

    Mottura Alessandro

    2014-01-01

    Full Text Available Rhenium plays a critical role in single-crystal superalloys –its addition to first generation alloys improves creep life by a factor of at least two, with further benefits for fatigue performance. Its use in alloys such as PWA1484, CMSX-4 and Rene N5 is now widespread, and many in this community regard Re as the “magic dust”. In this paper, the latest thinking concerning the origins of the “rhenium-effect” is presented. We start by reviewing the hypothesis that rhenium clusters represent barriers to dislocation motion. Recent atom probe tomography experiments have shown that Re may instead form a solid solution with Ni at low concentrations (< 7 at.%. Density functional theory calculations indicate that, in the solid solution, short range ordering of Re may be expected. Finally, Re has been shown to diffuse slowly in the γ-Ni phase. Calculations using a semi-analytical dislocation climb/glide model based upon the work of McLean and Dyson have been used to rationalise the composition-dependence of creep deformation in these materials. All evidence points to two important factors: (i the preferred partitioning of Re to the γ phase, where dislocation activity preferentially occurs during the tertiary creep regime and (ii a retardation effect on dislocation segments at γ/γ′ interfaces, which require non-conservative climb and thus an associated vacancy flux.

  17. Deformation of periodic nanovoid structures in Mg single crystals

    Science.gov (United States)

    Xu, Shuozhi; Su, Yanqing; Zare Chavoshi, Saeed

    2018-01-01

    Large scale molecular dynamics (MD) simulations in Mg single crystal containing periodic cylindrical voids subject to uniaxial tension along the z direction are carried out. Models with different initial void sizes and crystallographic orientations are explored using two interatomic potentials. It is found that (i) a larger initial void always leads to a lower yield stress, in agreement with an analytic prediction; (ii) in the model with x[\\bar{1}100]–y[0001]–z[11\\bar{2}0] orientations, the two potentials predict different types of tension twins and phase transformation; (iii) in the model with x[0001]–y[11\\bar{2}0]–z[\\bar{1}100] orientations, the two potentials identically predict the nucleation of edge dislocations on the prismatic plane, which then glide away from the void, resulting in extrusions at the void surface; in the case of the smallest initial void, these surface extrusions pinch the void into two voids. Besides bringing new physical understanding of the nanovoid structures, our work highlights the variability and uncertainty in MD simulations arising from the interatomic potential, an issue relatively lightly addressed in the literature to date.

  18. Radiation attenuation by single-crystal diamond windows

    Energy Technology Data Exchange (ETDEWEB)

    Guthrie, M.; Pruteanu, C. G.; Donnelly, M. -E.; Molaison, J. J.; dos Santos, A. M.; Loveday, J. S.; Boehler, R.; Tulk, C. A.

    2017-02-01

    As artificial diamond becomes more cost effective it is likely to see increasing use as a window for sample environment equipment used in diffraction experiments. Such windows are particularly useful as they exhibit exceptional mechanical properties in addition to being highly transparent to both X-ray and neutron radiation. A key application is in high-pressure studies, where diamond anvil cells (DACs) are used to access extreme sample conditions. However, despite their utility, an important consideration when using single-crystal diamond windows is their interaction with the incident beam. In particular, the Bragg condition will be satisfied for specific angles and wavelengths, leading to the appearance of diamond Bragg spots on the diffraction detectors but also, unavoidably, to loss of transmitted intensity of the beam that interacts with the sample. This effect can be particularly significant for energy-dispersive measurements, for example, in time-of-flight neutron diffraction work using DACs. This article presents a semi-empirical approach that can be used to correct for this effect, which is a prerequisite for the accurate determination of diffraction intensities.

  19. Buckling of Single-Crystal Silicon Nanolines under Indentation

    Directory of Open Access Journals (Sweden)

    Min K. Kang

    2008-01-01

    Full Text Available Atomic force microscope-(AFM- based indentation tests were performed to examine mechanical properties of parallel single-crystal silicon nanolines (SiNLs of sub-100-nm line width, fabricated by a process combining electron-beam lithography and anisotropic wet etching. The SiNLs have straight and nearly atomically flat sidewalls, and the cross section is almost perfectly rectangular with uniform width and height along the longitudinal direction. The measured load-displacement curves from the indentation tests show an instability with large displacement bursts at a critical load ranging from 480 μN to 700 μN. This phenomenon is attributed to a transition of the buckling mode of the SiNLs under indentation. Using a set of finite element models with postbuckling analyses, we analyze the indentation-induced buckling modes and investigate the effects of tip location, contact friction, and substrate deformation on the critical load of mode transition. The results demonstrate a unique approach for the study of nanomaterials and patterned nanostructures via a combination of experiments and modeling.

  20. Polymorphic transitions in single crystals: A new molecular dynamics method

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1981-12-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock.

  1. Reduction of precursor decay anomaly in single crystal lithium fluoride

    Science.gov (United States)

    Sano, Yukio

    2000-08-01

    The purpose of this study is to reveal that the precursor decay anomaly in single crystal lithium fluoride is reduced by Sano's decay curve [Y. Sano, J. Appl. Phys. 85, 7616 (1999)], which is much smaller in slope than Asay's decay curve [J. R. Asay, G. R. Fowles, G. E. Duvall, M. H. Miles, and R. F. Tinder, J. Appl. Phys. 43, 2132 (1972)]. To this end, strain, particle, velocity, and stress in a precursor and near the leading edge of the follower changing with time along Sano's decay curve are first analyzed quantitatively. The analysis verified the existence of degenerate contraction waves I and II and a subrarefaction wave R', and the decay process [Y. Sano, J. Appl. Phys. 77, 3746 (1995)] caused in sequence by evolving followers C, I, II, R', Rb. Next, inequalities relating decay rates qualitatively to plastic strain rates at the leading edge of the follower, which are derived using the properties of the followers, are incorporated into the analysis. Calculation results showed that the plastic strain rates were reduced by low decay rates. This indicates that the precursor decay anomaly might be greatly reduced by Sano's decay curve.

  2. Analysis of ripple formation in single crystal spot welds

    Energy Technology Data Exchange (ETDEWEB)

    Rappaz, M. [Ecole Polytechnique Federale de Lausanne (Switzerland). Lab de Metallurgie Physique; Corrigan, D.; Boatner, L.A. [Oak Ridge National Lab., TN (United States). Solid State Div.

    1997-10-01

    Stationary spot welds have been made at the (001) surface of Fe-l5%Ni-15%Cr single crystals using a Gas Tungsten Arc (GTA). On the top surface of the spot welds, very regular and concentric ripples were observed after solidification by differential interference color microscopy. Their height (typically 1--5 {micro}m) and spacing (typically {approximately} 60 {micro}m) decreased with the radius of the pool. These ripples were successfully accounted for in terms of capillary-wave theory using the fundamental mode frequency f{sub 0} given by the first zero of the zero-order Bessel function. The spacing d between the ripples was then equated to v{sub s}/f{sub 0}, where v{sub s} is the solidification rate. From the measured ripple spacing, the velocity of the pool was deduced as a function of the radius, and this velocity was in good agreement with the results of a heat-flow simulation.

  3. Single-crystal neutron diffraction under high pressures: valence instabilities in Tm monochalcogenides

    International Nuclear Information System (INIS)

    Mignot, J.-M.; Goncharenko, I.N.; Link, P.; Matsumura, T.; Suzuki, T.

    2000-01-01

    New high-pressure devices based on the use of sapphire anvils now allow single-crystal neutron diffraction experiments to be performed up to P=8-10 GPa. After giving a brief overview of the technique, we present its application to the study of pressure-induced valence instabilities in Tm monochalcogenides (TmX, X: S, Se, Te). A variety of new magnetic phases have been characterized, yielding a consistent picture of the evolution of magnetism through the series. The results indicate a striking interplay between magnetic order taking place at low temperature and different types of electronic ground states (classical semiconductor, narrow-gap Kondo insulator, metallic Kondo lattice, etc.) inferred from the transport properties

  4. Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

    KAUST Repository

    Wang, Hong

    2017-01-04

    Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting.

  5. Straightforward measurement of anisotropic thermal properties of a Bi2Se3 single crystal.

    Science.gov (United States)

    Fournier, Danièle; Marangolo, Massimiliano; Eddrief, Mahmoud; Kolesnikov, Nicolai N; Fretigny, Christian

    2018-02-06

    We demonstrate here a simple measurement protocol which allows the thermal properties of anisotropic crystalline materials to be determined. This protocol is validated by the measurement of Bi2Se3, a layered material consisting of covalently bonded sheets with weak van-der-Waals bonds between each layer, which has highly anisotropic thermal properties. Thermoreflectance microscopy measurements were carried out on a single-crystal Bi2Se3 sample, firstly on the bare sample and then after capping wih a 100 nm thick gold layer. Whereas on the bare sample lateral heat diffusion is dominated by the in-plane thermal diffusivity, on the metal-capped substrate heat diffusion perpendicular to the sample surface dominates. Using a simple theoretical model, we show how this double measurement protocol allows the anisotropic thermal conductivity coefficients of bulk Bi2Se3 to be evaluated. © 2018 IOP Publishing Ltd.

  6. Heavy doping of CdTe single crystals by Cr ion implantation

    Science.gov (United States)

    Popovych, Volodymyr D.; Böttger, Roman; Heller, Rene; Zhou, Shengqiang; Bester, Mariusz; Cieniek, Bogumil; Mroczka, Robert; Lopucki, Rafal; Sagan, Piotr; Kuzma, Marian

    2018-03-01

    Implantation of bulk CdTe single crystals with high fluences of 500 keV Cr+ ions was performed to achieve Cr concentration above the equilibrium solubility limit of this element in CdTe lattice. The structure and composition of the implanted samples were studied using secondary ion mass spectrometry (SIMS), scanning electron microscopy (SEM), energy dispersive X-ray (EDX) analysis, X-ray diffraction (XRD) and Rutherford backscattering spectrometry (RBS) to characterize the incorporation of chromium into the host lattice and to investigate irradiation-induced damage build-up. It was found that out-diffusion of Cr atoms and sputtering of the targets alter the depth distribution and limit concentration of the projectile ions in the as-implanted samples. Appearance of crystallographically oriented, metallic α-Cr nanoparticles inside CdTe matrix was found after implantation, as well as a strong disorder at the depth far beyond the projected range of the implanted ions.

  7. Lattice location of platinum ions implanted into single crystal zirconia and their annealing behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Cao, D.X. [Royal Melbourne Inst. of Tech., VIC (Australia); Sood, D.K. [Academia Sinica, Shanghai, SH (China). Shanghai Inst. of Nuclear Research; Brown, I.G. [Lawrence Berkeley Lab., CA (United States)

    1993-12-31

    Single crystal samples of (100) oriented cubic zirconia stabilised with 9.5 mol % yttria were implanted with platinum ions, using a metal vapour vacuum arc (MEVVA) high current ion implanter, to a nominal dose of 1x10{sup 17} ions/cm{sup 2}. The implanted samples were annealed isothermally in air ambient at 1200 deg C, from 1-24 hours. Rutherford Backscattering Spectrometry and Channeling (RBSC) of 2 MeV He ions are employed to determine depth distributions of ion damage, Pt ions and substitutionality of Pt ions before and after annealing. The damage behaviour, Pt migration and lattice location are discussed in terms of metastable phase formation and solid solubility considerations. 7 refs., 3 figs.

  8. Effect of crystal shape on neutron rocking curves of perfect single crystals designed for ultra-small-angle scattering experiments

    International Nuclear Information System (INIS)

    Freund, A K; Rehm, C

    2014-01-01

    The present study has been conducted in the framework of the channel-cut crystal design for the Kookaburra ultra-small-angle neutron scattering (USANS) instrument to be installed at the OPAL reactor of ANSTO. This facility is based on the classical Bonse-Hart method that uses two multiple-reflection crystal systems. The dynamical theory of diffraction by perfect crystals distinguishes two cases: the Darwin case applying to infinitely thick crystals and the Ewald solution for very small absorption taking into account the reflection from the rear face of a plane-parallel crystal reflecting in Bragg geometry. The former is preferable because it yields narrower rocking curves. To prevent the neutrons to 'see' the rear face, grooves were machined into the backside of perfect Si test crystals for single reflection and filled with neutron absorbing material. These samples were examined at the S18 instrument of the Institut Laue-Langevin. Unexpectedly the crystals with empty slots showed an increase of the rocking curve width. When filling the slots with an absorber the widths decreased, but without reaching that of the Darwin curve. Understanding the results and achieving a successful crystal design call for the development of a theory that permits to describe neutron diffraction from crystals with a structured back face.

  9. Effect of crystal shape on neutron rocking curves of perfect single crystals designed for ultra-small-angle scattering experiments

    Science.gov (United States)

    Freund, A. K.; Rehm, C.

    2014-07-01

    The present study has been conducted in the framework of the channel-cut crystal design for the Kookaburra ultra-small-angle neutron scattering (USANS) instrument to be installed at the OPAL reactor of ANSTO. This facility is based on the classical Bonse-Hart method that uses two multiple-reflection crystal systems. The dynamical theory of diffraction by perfect crystals distinguishes two cases: the Darwin case applying to infinitely thick crystals and the Ewald solution for very small absorption taking into account the reflection from the rear face of a plane-parallel crystal reflecting in Bragg geometry. The former is preferable because it yields narrower rocking curves. To prevent the neutrons to "see" the rear face, grooves were machined into the backside of perfect Si test crystals for single reflection and filled with neutron absorbing material. These samples were examined at the S18 instrument of the Institut Laue-Langevin. Unexpectedly the crystals with empty slots showed an increase of the rocking curve width. When filling the slots with an absorber the widths decreased, but without reaching that of the Darwin curve. Understanding the results and achieving a successful crystal design call for the development of a theory that permits to describe neutron diffraction from crystals with a structured back face.

  10. Electrodeposition study on a single-crystal titanium dioxide electrode : platinum on a niobium-doped titanium dioxide(110) electrode

    OpenAIRE

    Takakusagi, Satoru; Ogawa, Takafumi; Uehara, Hiromitsu; Ariga, Hiroko; Shimizu, Ken-ichi; Asakura, Kiyotaka

    2014-01-01

    Pt was successfully electrodeposited on a Nb-doped TiO2(110) electrode from a solution of 1 mM K-2[PtCl4] and 50 mM H2SO4 using single-pulse chronoamperometry. The morphology of the deposited Pt nanoparticles was sensitive to the deposition potential and holding time. A novel method for the preparation of metal particles on a single-crystal TiO2 surface in a controlled manner has been proposed.

  11. The evolution of machining-induced surface of single-crystal FCC copper via nanoindentation.

    Science.gov (United States)

    Zhang, Lin; Huang, Hu; Zhao, Hongwei; Ma, Zhichao; Yang, Yihan; Hu, Xiaoli

    2013-05-04

    The physical properties of the machining-induced new surface depend on the performance of the initial defect surface and deformed layer in the subsurface of the bulk material. In this paper, three-dimensional molecular dynamics simulations of nanoindentation are preformed on the single-point diamond turning surface of single-crystal copper comparing with that of pristine single-crystal face-centered cubic copper. The simulation results indicate that the nucleation of dislocations in the nanoindentation test on the machining-induced surface and pristine single-crystal copper is different. The dislocation embryos are gradually developed from the sites of homogeneous random nucleation around the indenter in the pristine single-crystal specimen, while the dislocation embryos derived from the vacancy-related defects are distributed in the damage layer of the subsurface beneath the machining-induced surface. The results show that the hardness of the machining-induced surface is softer than that of pristine single-crystal copper. Then, the nanocutting simulations are performed along different crystal orientations on the same crystal surface. It is shown that the crystal orientation directly influences the dislocation formation and distribution of the machining-induced surface. The crystal orientation of nanocutting is further verified to affect both residual defect generations and their propagation directions which are important in assessing the change of mechanical properties, such as hardness and Young's modulus, after nanocutting process.

  12. Unidirectional growth and characterization of L-arginine monohydrochloride monohydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sangeetha, K. [Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu 620 024 (India); Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu 620 024 (India); Bhagavannarayana, G. [Materials Characterization Division, National Physical Laboratory, New Delhi 110 012 (India); Ramamurthi, K. [Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu 620 024 (India)

    2011-10-17

    Highlights: {yields} L-Arginine monohydrochloride monohydrate (LAHCl) single crystal was grown successfully by unidirectional solution growth method for the first time. {yields} High crystalline perfection was observed for UDS grown crystal compared to CS grown crystal. {yields} The optical transparency and mechanical stability are high for UDS grown LAHCl single crystal. {yields} Optical birefringence measurement on this material. {yields} The piezoelectric resonance frequencies observation - first time observation on this material. - Abstract: L-Arginine monohydrochloride monohydrate (LAHCl) single crystals were grown successfully by conventional and unidirectional solution growth methods. The crystalline perfection of grown crystals was analyzed by high-resolution X-ray diffraction. The linear optical transmittance, mechanical stability of conventional and unidirectional grown LAHCl single crystals were analyzed and compared along (0 0 1) plane. The refractive index and birefringence of LAHCl single crystals were also measured using He-Ne laser source. From the dielectric studies, piezoelectric resonance frequencies were observed in kHz frequency range for both conventional and unidirectional grown LAHCl single crystals along (0 0 1) plane.

  13. Low-Voltage Organic Single-Crystal Field-Effect Transistor with Steep Subthreshold Slope.

    Science.gov (United States)

    Yang, Fangxu; Sun, Lingjie; Han, Jiangli; Li, Baili; Yu, Xi; Zhang, Xiaotao; Ren, Xiaochen; Hu, Wenping

    2018-03-06

    Anodization is a promising technique to form high- k dielectrics for low-power organic field-effect transistor (OFET) applications. However, the surface quality of the dielectric, which is mainly inherited from the metal electrode, can be improved further than other fabrication techniques, such as sol-gel. In this study, we applied the template stripping method to fabricate a low-power single-crystalline OFET based on the anodized AlO x dielectric. We found that the template stripping method largely improves the surface roughness of the deposited Al and allows for the formation of a high-quality AlO x high- k dielectric by anodization. The ultraflat AlO x /SAM dielectric combined with a single-crystal 2,6-diphenylanthracene (DPA) semiconductor produced a nearly defect-free interface with a steep subthreshold swing (SS) of 66 mV/decade. The current device is a promising candidate for future ultralow-power applications. Other than metal deposition, template stripping could provide a general approach to improve thin-film quality for many other types of materials and processes.

  14. Photoelectron diffraction studies of small adsorbates on single crystal surfaces

    International Nuclear Information System (INIS)

    Pascal, Mathieu

    2002-01-01

    The structural determination of small molecules adsorbed on single crystal surfaces has been investigated using scanned energy mode photoelectron diffraction (PhD). The experimental PhD data were compared to theoretical models using a simulation program based on multiple scattering calculations. Three adsorption systems have been examined on Ag(110), Cu(110) and Cu(111) crystals. The structure of the (2x1)-O adsorption phase on Ag(110) revealed that the O atoms occupied the long bridge site and are almost co-planar with the top layer of Ag atoms. The best agreement between multiple scattering theory and experiment has been obtained for a missing-row (or equivalently an 'added- row') reconstruction. Alternative buckled-row and unreconstructed surface models can be excluded. The adsorption of the benzoate species on Cu(110) has been found to occur via the carboxylate group. The molecules occupy short bridge sites with the O atoms being slightly displaced from atop sites and are aligned along the close-packed azimuth. The tilt of the molecule with respect to the surface and the degree to which the surface is relaxed have also been investigated. The adsorption of methyl on Cu(111) was studied using either azomethane or methyl iodide to prepare the surface layers. At saturation coverage the preferred adsorption site is the fcc threefold hollow site, whereas at half saturation coverage ∼ 30 % of the methyl species occupy the hop threefold hollow sites. Best agreement between theory and experiment corresponded to a methyl group adsorbed with C 3v symmetry. The height of the C above the surface in a pure methyl layer was 1.66 ± 0.02 A, but was reduced to 1.62 ± 0.02 A in the presence of co-adsorbed iodine, suggesting that iodine increases the strength of adsorption. Iodine was also found to occupy the fee threefold hollow sites with a Cu-l bondlength of 2.61 ± 0.02 A. (author)

  15. Development of a Hemispherical Metal Diaphragm for Single-Cycle Liquid-Metal Positive Expulsion Systems

    National Research Council Canada - National Science Library

    Gorland, Sol

    1965-01-01

    This report presents experimental results pertaining to the design and development of a metallic expulsion diaphragm for single-cycle positive expulsion of high-temperature liquid in an agravity condition...

  16. Wideband waveguide loading impedance matching on the basis of photonic crystals with nanometer metal layers

    OpenAIRE

    Usanov, Dmitry A.; Skripal, A. V.; Abramov, A. V.; Bogolubov, A. S.; Skvortsov, V. S.; Merdanov, M. K.

    2009-01-01

    Theoretically shown and experimentally proven is the possibility of creating wideband matched loading on the basis of photonic crystals, composed of alternating nanometer metal and isolator layers with different electro-physical parameters.

  17. Correlation between crystal structure and mobility in organic field-effect transistors based on single crystals of tetrathiafulvalene derivatives.

    Science.gov (United States)

    Mas-Torrent, Marta; Hadley, Peter; Bromley, Stefan T; Ribas, Xavi; Tarrés, Judit; Mas, Montserrat; Molins, Elies; Veciana, Jaume; Rovira, Concepció

    2004-07-14

    Recently, it was reported that crystals of the organic material dithiophene-tetrathiafulvalene (DT-TTF) have a high field-effect charge carrier mobility of 1.4 cm(2)/(V x s). These crystals were formed by a simple drop-casting method, making this material interesting to investigate for possible applications in low-cost electronics. Here, organic single-crystal field-effect transistors based on materials related to DT-TTF are presented and a clear correlation between the crystal structure and the electrical characteristics is observed. The observed relationship between the mobilities in the different crystal structures is strongly corroborated by calculations of both the molecular reorganization energies and the maximum intermolecular transfer integrals. The most suitable materials described here exhibit mobilities that are among the highest reported for organic field-effect transistors and that are the highest reported for solution-processed materials.

  18. Functionalised metal-organic frameworks : A novel approach to stabilising single metal atoms

    NARCIS (Netherlands)

    Szilagyi, P.A.; Rogers, D. M.; Zaiser, I.; Callini, E; Turner, Stuart; Borgschulte, A; Züttel, A.; Geerlings, J.J.C.; Hirscher, M; Dam, B.

    2017-01-01

    We have investigated the potential of metal-organic frameworks for immobilising single atoms of transition metals using a model system of Pd supported on NH2-MIL-101(Cr). Our transmission electron microscopy and in situ Raman spectroscopy results give evidence for the first time that

  19. Growth of niobium single crystals by pulling from a melt on a pedestal. II

    International Nuclear Information System (INIS)

    Naramoto, H.; Kamada, K.

    1975-01-01

    The following improvements were made in growing niobium single crystals by pulling from a melt in a pedestal heated by electron beam bombardment: (1) use of single crystalline seed; (2) rotation of the seed crystal as well as the pedestal; and (3) reduction of the pulling rate down to about 0.15 mm/min. The perfection of these crystals were assessed by taking both projection and section topographs under both the thick crystal case and thin crystal case. In the former case, diffusion of defect-images, which might overlook the grown-in dislocations, was critically examined. As a result of these measurements it was established that the niobium crystals are free from any grown-in dislocations. No propagation of dislocations from the seed to the grown crystal was observed. (Auth.)

  20. Site selective Cu2+ substitution in single crystal Fe3O4 biocompatible nanospheres by solvothermal reflux method

    Science.gov (United States)

    Manohar, A.; Krishnamoorthi, C.

    2017-09-01

    Transition metal cations distribution among tetrahedral and octahedral sites in Fe3O4 has profound influence on it properties. The cations distribution among these sites were influenced by crystal field stabilization energy (CFSE) of a substituent ion. It was reported that Cu2+ substitutes both Fe3+ in tetrahedral and Fe2+ in octahedral sites of magnetite though it has high CFSE for octahedral sites. Thus it promotes mixed (normal & inverse) spinel structure and hence the properties deviate from the prediction. Here we show that selective octahedral site substitution of Fe2+ by Cu2+ in single crystal Fe3O4 nanoparticles was possible by solvothermal reflux method at moderate temperatures (≈300 °C). It was attributed to reduced energy barrier for crystallization and high diffusion coefficient of the metal cations at moderate temperature in low viscous organic solvents mixture, at ambient pressure, compared to coprecipitation and solid state reaction protocols. In addition, effective removal of exothermic crystal lattice energy, released during nucleation and growth process, by natural gas bubbles formed in the reflux organic solvent mixture. This promotes effective diffusion of cations during the growth process and easy octahedral occupation by Cu2+ in Fe1-xCuxFe2O4 (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5 & 0.6) single crystal nanospheres. The octahedral substitution was confirmed by reduction of crystal lattice parameter as well as ferromagnetic strength of octahedral sublattice with enhanced Cu2+ concentration. In addition, morphology, lattice vibrational frequency and electron excitation spectra of the nanospheres were studied. The Langevin function fit analysis reveals that superparamagnetic domain diameter were slightly less than the particle diameter obtained from TEM micrograph.

  1. Searching for stable Na-ordered phases in single-crystal samples of γ-NaxCoO2

    Science.gov (United States)

    Shu, G. J.; Prodi, Andrea; Chu, S. Y.; Lee, Y. S.; Sheu, H. S.; Chou, F. C.

    2007-11-01

    We report on the preparation and characterization of single-crystal γ phase NaxCoO2 with 0.25≤x≤0.84 using a nonaqueous electrochemical chronoamperemetry technique. By carefully mapping the overpotential versus x (for xfind six distinct stable phases with Na levels corresponding to xtilde 0.75, 0.71, 0.50, 0.43, 0.33, and 0.25. The composition with x≃0.55 appears to have a critical Na concentration which separates samples with different magnetic behavior as well as different Na ion diffusion mechanisms. Chemical analysis of an aged crystal reveals different Na ion diffusion mechanisms above and below xc˜0.53 , where the diffusion process above xc has a diffusion coefficient about five times larger than that below xc . The series of crystals were studied with x-ray diffraction, susceptibility, and transport measurements. The crystal with x=0.5 shows a weak ferromagnetic transition below T=27K in addition to the usual transitions at T=51 and 88K . The resistivity of the Curie-Weiss metallic Na0.71CoO2 composition has a very low residual resistivity, which attests to the high homogeneity of the crystals prepared by this improved electrochemical method. Our results on the various stable crystal compositions point to the importance of Na ion ordering across the phase diagram.

  2. Bulk glass formation and crystallization in zirconium based bulk metallic glass forming alloys

    International Nuclear Information System (INIS)

    Savalia, R.T.; Neogy, S.; Dey, G.K.; Banerjee, S.

    2002-01-01

    The microstructures of Zr based metallic glasses produced in bulk form have been described in the as-cast condition and after crystallization. Various microscopic techniques have been used to characterize the microstructures. The microstructure in the as-cast condition was found to contain isolated crystals and crystalline aggregates embedded in the amorphous matrix. Quenched-in nuclei of crystalline phases were found to be present in fully amorphous regions. These glasses after crystallization gave rise to nanocrystalline solids. (author)

  3. Thermal behaviour of strontium tartrate single crystals grown in gel

    Indian Academy of Sciences (India)

    Thermal behaviour of strontium tartrate crystals grown with the aid of sodium metasilicate gel is investigated using thermogravimetry (TG) and differential thermal analysis (DTA). Effect of magnetic field and dopant (Pb)2+ on the crystal stability is also studied using thermal analysis. This study reveals that water molecules are ...

  4. Metal (Hydr)oxides@Polymer Core-Shell Strategy to Metal Single-Atom Materials.

    Science.gov (United States)

    Zhang, Maolin; Wang, Yang-Gang; Chen, Wenxing; Dong, Juncai; Zheng, Lirong; Luo, Jun; Wan, Jiawei; Tian, Shubo; Cheong, Weng-Chon; Wang, Dingsheng; Li, Yadong

    2017-08-16

    Preparing metal single-atom materials is currently attracting tremendous attention and remains a significant challenge. Herein, we report a novel core-shell strategy to synthesize single-atom materials. In this strategy, metal hydroxides or oxides are coated with polymers, followed by high-temperature pyrolysis and acid leaching, metal single atoms are anchored on the inner wall of hollow nitrogen-doped carbon (CN) materials. By changing metal precursors or polymers, we demonstrate the successful synthesis of different metal single atoms dispersed on CN materials (SA-M/CN, M = Fe, Co, Ni, Mn, FeCo, FeNi, etc.). Interestingly, the obtained SA-Fe/CN exhibits much higher catalytic activity for hydroxylation of benzene to phenol than Fe nanoparticles/CN (45% vs 5% benzene conversion). First-principle calculations further reveal that the high reactivity originates from the easier formation of activated oxygen species at the single Fe site. Our methodology provides a convenient route to prepare a variety of metal single-atom materials representing a new class of catalysts.

  5. Surface modes at metallic an photonic crystal interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Weitao [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    A surface mode is an electromagnetic field distribution bounded at a surface. It decays exponentially with the distance from the surface on both sides of the surface and propagates at the surface. The surface mode exists at a metal-dielectric interface as surface plasmon (1) or at a photonic crystal surface terminated properly (34; 35; 36). Besides its prominent near-filed properties, it can connect structures at its propagation surface and results in far-field effects. Extraordinary transmission (EOT) and beaming are two examples and they are the subjects I am studying in this thesis. EOT means the transmission through holes in an opaque screen can be much larger than the geometrical optics limitation. Based on our everyday experience about shadows, the transmission equals the filling ratio of the holes in geometrical optics. The conventional diffraction theory also proved that the transmission through a subwavelength circular hole in an infinitely thin perfect electric conductor (PEC) film converges to zero when the hole's dimension is much smaller than the wavelength (40). Recently it is discovered that the transmission can be much larger than the the filling ratio of the holes at some special wavelengths (41). This cannot be explained by conventional theories, so it is called extraordinary transmission. It is generally believed that surface plasmons play an important role (43; 44) in the EOT through a periodic subwavelength hole array in a metallic film. The common theories in literatures are based on these arguments. The surface plasmons cannot be excited by incident plane waves directly because of momentum mismatch. The periodicity of the hole arrays will provide addition momentum. When the momentum-matching condition of surface plasmons is satisfied, the surface plasmons will be excited. Then these surface plasmons will collect the energy along the input surface and carry them to the holes. So the transmission can be bigger than the filling ratio. Based

  6. Synthesis, growth, crystal structure, optical and third order nonlinear optical properties of quinolinium derivative single crystal: PNQI

    Science.gov (United States)

    Karthigha, S.; Krishnamoorthi, C.

    2018-03-01

    An organic quinolinium derivative nonlinear optical (NLO) crystal, 1-ethyl-2-[2-(4-nitro-phenyl)-vinyl]-quinolinium iodide (PNQI) was synthesized and successfully grown by slow evaporation solution growth technique. Formation of a crystalline compound was confirmed by single crystal X-ray diffraction. The quinolinium compound PNQI crystallizes in the triclinic crystal system with a centrosymmetric space group of P-1 symmetry. The molecular structure of PNQI was confirmed by 1H NMR and 13C NMR spectral studies. The thermal properties of the crystal have been investigated by thermogravimetric (TG) and differential scanning calorimetry (DSC) studies. The optical characteristics obtained from UV-Vis-NIR spectral data were described and the cut-off wavelength observed at 506 nm. The etching study was performed to analyse the growth features of PNQI single crystal. The third order NLO properties such as nonlinear refractive index (n2), nonlinear absorption coefficient (β) and nonlinear susceptibility (χ (3)) of the crystal were investigated using Z-scan technique at 632.8 nm of Hesbnd Ne laser.

  7. Single-Crystal Sapphire Optical Fiber Sensor Instrumentation

    Energy Technology Data Exchange (ETDEWEB)

    Pickrell, Gary [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States); Scott, Brian [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States); Wang, Anbo [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States); Yu, Zhihao [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States)

    2013-12-31

    This report summarizes technical progress on the program “Single-Crystal Sapphire Optical Fiber Sensor Instrumentation,” funded by the National Energy Technology Laboratory of the U.S. Department of Energy, and performed by the Center for Photonics Technology of the Bradley Department of Electrical and Computer Engineering at Virginia Tech. This project was completed in three phases, each with a separate focus. Phase I of the program, from October 1999 to April 2002, was devoted to development of sensing schema for use in high temperature, harsh environments. Different sensing designs were proposed and tested in the laboratory. Phase II of the program, from April 2002 to April 2009, focused on bringing the sensor technologies, which had already been successfully demonstrated in the laboratory, to a level where the sensors could be deployed in harsh industrial environments and eventually become commercially viable through a series of field tests. Also, a new sensing scheme was developed and tested with numerous advantages over all previous ones in Phase II. Phase III of the program, September 2009 to December 2013, focused on development of the new sensing scheme for field testing in conjunction with materials engineering of the improved sensor packaging lifetimes. In Phase I, three different sensing principles were studied: sapphire air-gap extrinsic Fabry-Perot sensors; intensity-based polarimetric sensors; and broadband polarimetric sensors. Black body radiation tests and corrosion tests were also performed in this phase. The outcome of the first phase of this program was the selection of broadband polarimetric differential interferometry (BPDI) for further prototype instrumentation development. This approach is based on the measurement of the optical path difference (OPD) between two orthogonally polarized light beams in a single-crystal sapphire disk. At the beginning of Phase II, in June 2004, the BPDI sensor was tested at the Wabash River coal gasifier

  8. Compositional Effects on Nickel-Base Superalloy Single Crystal Microstructures

    Science.gov (United States)

    MacKay, Rebecca A.; Gabb, Timothy P.; Garg,Anita; Rogers, Richard B.; Nathal, Michael V.

    2012-01-01

    Fourteen nickel-base superalloy single crystals containing 0 to 5 wt% chromium (Cr), 0 to 11 wt% cobalt (Co), 6 to 12 wt% molybdenum (Mo), 0 to 4 wt% rhenium (Re), and fixed amounts of aluminum (Al) and tantalum (Ta) were examined to determine the effect of bulk composition on basic microstructural parameters, including gamma' solvus, gamma' volume fraction, volume fraction of topologically close-packed (TCP) phases, phase chemistries, and gamma - gamma'. lattice mismatch. Regression models were developed to describe the influence of bulk alloy composition on the microstructural parameters and were compared to predictions by a commercially available software tool that used computational thermodynamics. Co produced the largest change in gamma' solvus over the wide compositional range used in this study, and Mo produced the largest effect on the gamma lattice parameter and the gamma - gamma' lattice mismatch over its compositional range, although Re had a very potent influence on all microstructural parameters investigated. Changing the Cr, Co, Mo, and Re contents in the bulk alloy had a significant impact on their concentrations in the gamma matrix and, to a smaller extent, in the gamma' phase. The gamma phase chemistries exhibited strong temperature dependencies that were influenced by the gamma and gamma' volume fractions. A computational thermodynamic modeling tool significantly underpredicted gamma' solvus temperatures and grossly overpredicted the amount of TCP phase at 982 C. Furthermore, the predictions by the software tool for the gamma - gamma' lattice mismatch were typically of the wrong sign and magnitude, but predictions could be improved if TCP formation was suspended within the software program. However, the statistical regression models provided excellent estimations of the microstructural parameters based on bulk alloy composition, thereby demonstrating their usefulness.

  9. Synthesis and photocatalytic activity of mesoporous – (001) facets TiO{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Yeshuo [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Fei, Xuening, E-mail: xueningfei@126.com [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); School of Science, Tianjin Chengjian University, Tianjin 300384 (China); Zhou, Yongzhu [School of Science, Tianjin Chengjian University, Tianjin 300384 (China)

    2017-05-01

    Highlights: • The (001) facets of TiO{sub 2} single crystals with mesoporous structure. • The (010) and (100) facets of TiO{sub 2} single crystals were covered by the flower – shaped TiO{sub 2} crystals. • This special structure could promote charge separation and provide more active sites, which will lead to a substantial increase in photocatalytic activity. - Abstract: In this work, the mesoporous – (001) facets TiO{sub 2} single crystals have been successfully synthesized through a two-step solvothermal route without any template. Their structure and morphology were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), ultraviolet-visible (UV–vis) diffuse reflectance spectroscopy and energy dispersive X-ray spectrometer (EDX). Based on the different characteristics and atomic arrangements on each facet of anatase TiO{sub 2} single crystals, we synthesized these mesoporous – (001) facets TiO{sub 2} single crystals by controlling the interaction characteristics of hydrofluoric acid (HF) and isopropanol (i-PrOH) on the crystal facets. It can been seen that the (001) facets of these as-synthesized TiO{sub 2} single crystals have a clear mesoporous structure through the SEM images and BET methods. Moreover, the other four facets were covered by the flower – shaped TiO{sub 2} crystals with the generation of the mesoporous – (001) facets. This special and interesting morphology could promote charge separation and provide more active sites, which will lead to a substantial increase in photocatalytic activity. Moreover, it is more intuitive to reflect that the different crystal facets possess the different properties due to their atomic arrangement. Besides, according to the different synthetic routes, we proposed and discussed a plausible synthesis mechanism of these mesoporous – (001) facets TiO{sub 2} single crystals.

  10. Free-standing nanomechanical and nanophotonic structures in single-crystal diamond

    Science.gov (United States)

    Burek, Michael John

    Realizing complex three-dimensional structures in a range of material systems is critical to a variety of emerging nanotechnologies. This is particularly true of nanomechanical and nanophotonic systems, both relying on free-standing small-scale components. In the case of nanomechanics, necessary mechanical degrees of freedom require physically isolated structures, such as suspended beams, cantilevers, and membranes. For nanophotonics, elements like waveguides and photonic crystal cavities rely on light confinement provided by total internal reflection or distributed Bragg reflection, both of which require refractive index contrast between the device and surrounding medium (often air). Such suspended nanostructures are typically fabricated in a heterolayer structure, comprising of device (top) and sacrificial (middle) layers supported by a substrate (bottom), using standard surface nanomachining techniques. A selective, isotropic etch is then used to remove the sacrificial layer, resulting in free-standing devices. While high-quality, crystalline, thin film heterolayer structures are readily available for silicon (as silicon-on-insulator (SOI)) or III-V semiconductors (i.e. GaAs/AlGaAs), there remains an extensive list of materials with attractive electro-optic, piezoelectric, quantum optical, and other properties for which high quality single-crystal thin film heterolayer structures are not available. These include complex metal oxides like lithium niobate (LiNbO3), silicon-based compounds such as silicon carbide (SiC), III-V nitrides including gallium nitride (GaN), and inert single-crystals such as diamond. Diamond is especially attractive for a variety of nanoscale technologies due to its exceptional physical and chemical properties, including high mechanical hardness, stiffness, and thermal conductivity. Optically, it is transparent over a wide wavelength range (from 220 nm to the far infrared), has a high refractive index (n ~ 2.4), and is host to a vast

  11. Influence of composition on the microstructure and mechanical properties of a nickel-base superalloy single crystal

    Science.gov (United States)

    Nathal, M. V.; Ebert, L. J.

    1984-01-01

    The effects of cobalt, tantalum, and tungsten contents on the microstructure and mechanical properties of single crystal Mar-M247 were investigated. Elevated temperature tensile and creep-rupture properties of 001 oriented single crystals were related to microstructural features of the alloys. Substitution of Ni for Co in the high refractory metal alloys increased the lattice mismatch, which was considered to be the cause of the increases in tensile and creep strength. Substitution of Ni for Ta caused large decreases in tensile strength and creep life, consistent with decreases in gamma prime volume fraction, lattice mismatch, and solid solution hardening. Substitution of W for Ta resulted in decreased life at high stresses, which was related to small decreases in mismatch and volume fraction. However, the W substitution resulted in improved life at low stresses, which was related to solid solution strengthening by W.

  12. Surface relief grating formation on a single crystal of 4-(dimethylamino)azobenzene

    International Nuclear Information System (INIS)

    Nakano, Hideyuki; Tanino, Takahiro; Shirota, Yasuhiko

    2005-01-01

    Surface relief grating (SRG) formation on an organic single crystal by irradiation with two coherent laser beams has been demonstrated by using 4-(dimethylamino)azobenzene (DAAB). It was found that the SRG formation was greatly depending upon both the coordination of the crystal and the polarization of the writing beams. The dependence of the polarization of writing beams on the SRG formation using the single crystal was found to be quite different from that reported for amorphous polymers and photochromic amorphous molecular materials, suggesting that the mechanism of the SRG formation on the organic crystal is somewhat different from that on amorphous materials

  13. Dipolar-Biased Tunneling of Magnetization in Crystals of Single Molecule Magnets

    Science.gov (United States)

    Awaga, Kunio

    2007-03-01

    The molecular cluster Mn12 has attracted much interest as a single-molecule magnet (SMM) and as a multi-redox system. It has a high-spin ground state of S=10 and a strong uniaxial magnetic anisotropy, and the combination of the two natures makes an effective potential barrier between the up and down spin states. At low temperatures, the magnetization curve exhibited a hysteresis loop and the quantum tunneling of magnetization (QTM). In the present work, we studied the structure and magnetic properties of the mixed-metal SMM, Mn11Cr, through the analysis of Mn11Cr/Mn12 mixed crystal. High-frequency EPR spectra were well explained by assuming that Mn11Cr was in a ground spin-state of S=19/2 with nearly the same EPR parameter set as for Mn12. QTM in Mn11Cr was observed with the same field interval as for Mn12. The magnetization of Mn11Cr and Mn12 in the mixed crystal can be independently manipulated by utilizing the difference between their coercive fields. The resonance fields of QTM in Mn11Cr are significantly affected by the magnetization direction of Mn12, suggesting the effect of dipolar-biased tunneling. Besides SMM, we would also like to report the unusual magnetic properties of spherical hollow nanomagnets, the electrical properties of heterocyclic thiazyl radicals, and their possible applications in spintronics and organic electronics.

  14. Single-Crystal Tungsten Carbide in High-Temperature In-Situ Additive Manufacturing Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Kolopus, James A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Boatner, Lynn A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-05-18

    Nanoindenters are commonly used for measuring the mechanical properties of a wide variety of materials with both industrial and scientific applications. Typically, these instruments employ an indenter made of a material of suitable hardness bonded to an appropriate shaft or holder to create an indentation on the material being tested. While a variety of materials may be employed for the indenter, diamond and boron carbide are by far the most common materials used due to their hardness and other desirable properties. However, as the increasing complexity of new materials demands a broader range of testing capabilities, conventional indenter materials exhibit significant performance limitations. Among these are the inability of diamond indenters to perform in-situ measurements at temperatures above 600oC in air due to oxidation of the diamond material and subsequent degradation of the indenters mechanical properties. Similarly, boron carbide also fails at high temperature due to fracture. [1] Transition metal carbides possess a combination of hardness and mechanical properties at high temperatures that offer an attractive alternative to conventional indenter materials. Here we describe the technical aspects for the growth of single-crystal tungsten carbide (WC) for use as a high-temperature indenter material, and we examine a possible approach to brazing these crystals to a suitable mount for grinding and attachment to the indenter instrument. The use of a by-product of the recovery process is also suggested as possibly having commercial value.

  15. NaCaCo2F7: A single-crystal high-temperature pyrochlore antiferromagnet

    Science.gov (United States)

    Krizan, J. W.; Cava, R. J.

    2014-06-01

    We report the magnetic characterization of the frustrated transition metal pyrochlore NaCaCo2F7. This material has high spin Co2+ in CoF6 octahedra in a pyrochlore lattice and disordered nonmagnetic Na and Ca on the large-atom sites in the structure. Large crystals grown by the floating zone method were studied. The magnetic susceptibility is isotropic; the Co moment is larger than the spin-only value; and in spite of the large Curie Weiss theta (-140 K), freezing of the spin system, as characterized by peaks in the ac and dc susceptibility and specific heat, does not occur until around 2.4 K. This yields a frustration index of f=-θCW/Tf≈56, an indication that the system is highly frustrated. The observed entropy loss at the freezing transition is low, indicating that magnetic entropy remains present in the system at 0.6 K. The compound may be the realization of a frustrated pyrochlore antiferromagnet with weak bond disorder. The high magnetic interaction strength, strong frustration, and the availability of large single crystals makes NaCaCo2F7 an interesting alternative to rare earth oxide pyrochlores for the study of geometric magnetic frustration in pyrochlore lattices.

  16. A 2D Coordination Network That Detects Nitro Explosives in Water, Catalyzes Baylis-Hillman Reactions, and Undergoes Unusual 2D→3D Single-Crystal to Single-Crystal Transformation.

    Science.gov (United States)

    Sharma, Vivekanand; De, Dinesh; Pal, Sanchari; Saha, Prithwidip; Bharadwaj, Parimal K

    2017-08-07

    The solvothermal reaction of Zn(NO 3 ) 2 ·6H 2 O and a linear dicarboxylate ligand H 2 L, in the presence of urotropine in N,N'-dimethylformamide (DMF), gives rise to a new porous two-dimensional (2D) coordination network, {[Zn 3 (L) 3 (urotropine) 2 ]·2DMF·3H 2 O} n (1), with hxl topology. Interestingly, framework 1 exhibits excellent emission properties owing to the presence of naphthalene moiety in the linker H 2 L, that can be efficiently suppressed by subtle quantity of nitro explosives in aqueous medium. Furthermore, presence of urotropine molecules bound to the metal centers, 1 is found to be an excellent heterogeneous catalyst meant for atom-economical C-C bond-forming Baylis-Hillman reactions. Additionally, crystals of 1 undergo complete transmetalation with Cu(II) to afford isostructural 1 Cu . Moreover, the 2D framework of 1 allows replacement of urotropine molecules by 4,4'-azopyridine (azp) linker resulting in a three-dimensional (3D) metal-organic framework, {[Zn(L)(azp)]·4DMF 2H 2 O} n (2). The 1→2 transformation takes place in single-crystal-to-single crystal manner supported by powder X-ray diffraction, atomic force microscopy, high-resolution transmission electron microscopy, and morphological studies. Remarkably, during this 2D→3D transformation, the original trinuclear [Zn 3 (COO) 6 ] secondary building unit changes to a mononuclear node, which is unprecedented.

  17. Crystallization behavior of single isotactic poly(methyl methacrylate) chains visualized by atomic force microscopy.

    Science.gov (United States)

    Anzai, Takahiro; Kawauchi, Mariko; Kawauchi, Takehiro; Kumaki, Jiro

    2015-01-08

    We have, for the first time, successfully visualized the crystallization behavior of a single isolated polymer chain at the molecular level by atomic force microscopy (AFM). Previously, we found that isotactic poly(methyl methacrylate) (it-PMMA) formed two-dimensional folded chain crystals composed of double-stranded helices upon compression of its Langmuir monolayer on a water surface, and the molecular images of the crystals deposited on mica were clearly visualized by AFM (Kumaki, J.; et al. J. Am. Chem. Soc. 2005, 127, 5788). In the present study, a high-molecular-weight it-PMMA was diluted in a monolayer of an it-PMMA oligomer which cannot crystallize at the experimental temperature due to its low molecular weight. At a low surface pressure, isolated amorphous chains of the high-molecular-weight it-PMMA solubilized in the oligomer monolayer were observed. On compression, the isolated chains converted to crystals composed of a single chain, typically some small crystallites linked by an amorphous chain like a necklace. Detailed AFM observations of the crystals indicated that the crystalline nuclei preferentially formed at the ends of the chains, and the size of the nuclei was almost independent of the molecular weight of it-PMMA over a wide range. At an extremely slow compression, crystallization was promoted, resulting in crystallization of the whole chain. The crystallization behavior of a single isolated chain provides new insights in understanding the polymer crystallization process.

  18. Metal-nanoparticle single-electron transistors fabricated using electromigration

    DEFF Research Database (Denmark)

    Bolotin, K I; Kuemmeth, Ferdinand; Pasupathy, A N

    2004-01-01

    We have fabricated single-electron transistors from individual metal nanoparticles using a geometry that provides improved coupling between the particle and the gate electrode. This is accomplished by incorporating a nanoparticle into a gap created between two electrodes using electromigration, all...

  19. Fluid inclusions and microstructures in experimentally deformed quartz single crystals

    Science.gov (United States)

    Thust, A.; Tarantola, A.; Heilbronner, R.; Stünitz, H.

    2009-04-01

    The "H2O-weakening" effect that reduces the strength of quartz dramatically (e.g. Griggs & Blacic 1965) is still not understood. For example, Kronenberg & Tullis (1984) conclude that the weakening effect is pressure dependent while Paterson (1989) infers a glide and recovery control of water. Obviously, the spatial distribution and transport of H2O are important factors (Kronenberg et al. 1986, FitzGerald et al. 1991). We have carried out experiments on milky quartz in a Griggs deformation apparatus. Cylinders (6.5 mm in diameter, 12-13 mm in length) from a milky zone of a natural quartz single crystal have been cored in orientations (1) normal to one of the prism planes and (2) 45˚ to and 45˚ to (O+orientation). At 1 GPa confining pressure, 900˚ C and 10-6s-1, the flow strength is 150 MPa for samples with orientation (1). Further experiments are needed to establish the flow strength for orientation (2). FTIR measurements on double-polished thick sections (200-500 μm) in the undeformed quartz material yield an average H2O content of approximately 100 H/106Si. The water is heterogeneously distributed in the sample. Direct measurements on fluid inclusions yield a H2O content of more than 25 000 H/106Si. Thus, the H2O in the undeformed material is predominantly present in fluid inclusions of size from tens to hundred microns. Micro-thermometric measurements at low temperature indicate the presence of different salts in the fluid inclusions. The ice melting temperature, between -6.9 and -7.4˚ C, indicate an average salinity of 10.5 wt% NaCl. After deformation the distribution of H2O is more homogeneous throughout the sample. The majority of the big inclusions have disappeared and very small inclusions of several microns to sub-micron size have formed. FTIR measurements in zones of undulatory extinction and shear bands show an average H2O content of approximately 3000 H/106Si. Moreover, the larger fluid inclusions are characterized by a higher salinity (12 wt%) due

  20. Single shot ultrafast dynamic ellipsometry (UDE) of laser-driven shocks in single crystal explosives

    Energy Technology Data Exchange (ETDEWEB)

    Whitley, Von H [Los Alamos National Laboratory; Mcgrane, Shawn D [Los Alamos National Laboratory; Moore, David S [Los Alamos National Laboratory; Eakins, Dan E [Los Alamos National Laboratory; Bolme, Cindy A [Los Alamos National Laboratory

    2009-01-01

    We report on the first experiments to measure states in shocked energetic single crystals with dynamic ellipsometry. We demonstrate that these ellipsometric techniques can produce reasonable Hugoniot values using small amounts of crystalline RDX and PETN. Pressures, particle velocities and shock velocities obtained using shocked ellipsometry are comparable to those found using gas-gun flyer plates and molecular dynamics calculations. The adaptation of the technique from uniform thin films of polymers to thick non-perfect crystalline materials was a significant achievement. Correct sample preparation proved to be a crucial component. Through trial and error, we were able to resolve polishing issues, sample quality problems, birefringence effects and mounting difficulties that were not encountered using thin polymer films.

  1. Template Synthesis of Noble Metal Nanocrystals with Unusual Crystal Structures and Their Catalytic Applications.

    Science.gov (United States)

    Fan, Zhanxi; Zhang, Hua

    2016-12-20

    Noble metal nanocrystals own high chemical stability, unique plasmonic and distinctive catalytic properties, making them outstanding in many applications. However, their practical applications are limited by their high cost and scarcity on the earth. One promising strategy to solve these problems is to boost their catalytic performance in order to reduce their usage amount. To realize this target, great research efforts have been devoted to the size-, composition-, shape- and/or architecture-controlled syntheses of noble metal nanocrystals during the past two decades. Impressively, recent experimental studies have revealed that the crystal structure of noble metal nanocrystals can also significantly affect their physicochemical properties, such as optical, magnetic, catalytic, mechanical, electrical and electronic properties. Therefore, besides the well-established size, composition, shape, and architecture control, the rise of crystal structure-controlled synthesis of noble metal nanocrystals will open up new opportunities to further improve their functional properties, and thus promote their potential applications in energy conversion, catalysis, biosensing, information storage, surface enhanced Raman scattering, waveguide, near-infrared photothermal therapy, controlled release, bioimaging, biomedicine, and so on. In this Account, we review the recent research progress on the crystal structure control of noble metal nanocrystals with a template synthetic approach and their crystal structure-dependent catalytic properties. We first describe the template synthetic methods, such as epitaxial growth and galvanic replacement reaction methods, in which a presynthesized noble metal nanocrystal with either new or common crystal structure is used as the template to direct the growth of unusual crystal structures of other noble metals. Significantly, the template synthetic strategy described here provides an efficient, simple and straightforward way to synthesize unusual

  2. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    The grown crystals were characterized by atomic absorption spectroscopy (AAS), X-ray diffraction analysis (XRD), microhardness measurement, Fourier transform infrared spectroscopy (FTIR), thermogravimetry (TG) and differential thermal analysis (DTA). The results obtained are compared with the previous work.

  3. Oxygen reduction and evolution at single-metal active sites

    DEFF Research Database (Denmark)

    Calle-Vallejo, F.; Martínez, J.I.; García Lastra, Juan Maria

    2013-01-01

    overpotentials and is made of precious materials. A possible solution is the use of non-noble electrocatalysts with single-metal active sites. Here, on the basis of DFT calculations of adsorbed intermediates and a thermodynamic analysis, we compare the oxygen reduction (ORR) and evolution (OER) activities...... of functionalized graphitic materials and gas-phase porphyrins with late transition metals. We find that both kinds of materials follow approximately the same activity trends, and active sites with transition metals from groups 7 to 9 may be good ORR and OER electrocatalysts. However, spin analyses show more...... flexibility in the possible oxidation states of the metal atoms in solid electrocatalysts, while in porphyrins they must be +2. These observations reveal that the catalytic activity of these materials is mainly due to nearest-neighbor interactions. Based on this, we propose that this class of electrocatalysts...

  4. Crystal growth, optical properties, and laser operation of Yb3+-doped NYW single crystal

    Science.gov (United States)

    Cheng, Y.; Xu, X. D.; Yang, X. B.; Xin, Z.; Cao, D. H.; Xu, J.

    2009-11-01

    Laser crystal Yb3+-doped NaY(WO4)2 (Yb:NYW) with excellent quality has been grown by Czochralski technique. The rocking curves from (400) plane of as-grown Yb:NYW crystal was measured and the full-width value at half-maximum was 19.92″. The effective segregation coefficients were measured by the X-ray fluorescence method. The polarized absorption spectra and the fluorescence spectra of Yb:NYW crystal were measured at room temperature. The fluorescence decay lifetime of Yb3+ ion in NYW crystal has been investigated. The spectroscopic parameters of Yb:NYW crystal are calculated and compared with those of Yb:YAG crystal. A continuous wave output power of 3.06 W at 1031 nm was obtained with a slope efficiency of 42% by use of diode pumping.

  5. A = Rb, K: Single crystal X-ray diffraction studies

    Indian Academy of Sciences (India)

    Unknown

    X-ray diffraction on structural phase transition. 475. Figure 2. Powder X-ray diffraction pattern of KLHS at 298 and 100 K. 3. Structure determination and refinement. 3.1 Structure of RLHS at 293 K. A crystal of size 0⋅7 × 0⋅3 × 0⋅4 mm was mounted on a BRUKER AXS SMART APEX. CCD9 diffractometer with a crystal to ...

  6. Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1998-01-01

    The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

  7. Chemoselective single-site Earth-abundant metal catalysts at metal-organic framework nodes.

    Science.gov (United States)

    Manna, Kuntal; Ji, Pengfei; Lin, Zekai; Greene, Francis X; Urban, Ania; Thacker, Nathan C; Lin, Wenbin

    2016-08-30

    Earth-abundant metal catalysts are critically needed for sustainable chemical synthesis. Here we report a simple, cheap and effective strategy of producing novel earth-abundant metal catalysts at metal-organic framework (MOF) nodes for broad-scope organic transformations. The straightforward metalation of MOF secondary building units (SBUs) with cobalt and iron salts affords highly active and reusable single-site solid catalysts for a range of organic reactions, including chemoselective borylation, silylation and amination of benzylic C-H bonds, as well as hydrogenation and hydroboration of alkenes and ketones. Our structural, spectroscopic and kinetic studies suggest that chemoselective organic transformations occur on site-isolated, electron-deficient and coordinatively unsaturated metal centres at the SBUs via σ-bond metathesis pathways and as a result of the steric environment around the catalytic site. MOFs thus provide a novel platform for the development of highly active and affordable base metal catalysts for the sustainable synthesis of fine chemicals.

  8. Experimental study and numerical simulation of the plastic deformation of zirconium single crystals

    International Nuclear Information System (INIS)

    Lebon, C.

    2011-01-01

    There is only few experimental data in the literature on the zirconium single crystals and no constitutive laws for this single crystal material are provided. The goal of this work is then to create an experimental database like the Critical Resolved Shear Stress (CRSS) for the prismatic slip, the strain-hardening, the activation of the prismatic glide system and the activation volumes. We determine theses parameters from image correlation method. Then, we develop a new multi-scale approach using dislocations dynamics concept and finite element computations. Finally, a first single crystal constitutive law for the zirconium is proposed and a good agreement with the experimental data is obtained. (author) [fr

  9. Highly efficient single-pass sum frequency generation by cascaded nonlinear crystals

    DEFF Research Database (Denmark)

    Hansen, Anders Kragh; Andersen, Peter E.; Jensen, Ole Bjarlin

    2015-01-01

    The cascading of nonlinear crystals has been established as a simple method to greatly increase the conversion efficiency of single-pass second-harmonic generation compared to a single-crystal scheme. Here, we show for the first time that the technique can be extended to sum frequency generation......, despite differences in the phase relations of the involved fields. An unprecedented 5.5 W of continuous-wave diffraction-limited green light is generated from the single-pass sum frequency mixing of two diode lasers in two periodically poled nonlinear crystals (conversion efficiency 50%). The technique...

  10. Synthesis and characterization of nonlinear optical L-arginine semi-oxalate single crystal

    Science.gov (United States)

    Vasudevan, P.; Gokul Raj, S.; Sankar, S.

    2013-04-01

    L-arginine semi-oxalate single crystals have been synthesized by slow evaporation method at room temperature. Single crystal and powder X-ray diffraction analyses has been made to confirm the triclinic structure with non-centrosymmetric space group P1. The presence of functional groups of L-arginine semi-oxalate crystals was identified and confirmed by using the Fourier transform infrared spectroscopy. Molecular structure of the grown crystal was analyzed by 1H NMR and 13C NMR studies. Optical absorption studies carried out in wavelength range from 250 nm to 1200 nm have revealed that the material is completely transparent for the entire wavelength range studied. Thermal characterization using thermogravimetric analysis and differential scanning calorimetry studies show that the crystal is thermally stable up to 146 °C. The presence of second harmonic generation of the grown crystal was tested and its efficiency was determined by using Kurtz and Perry powder technique.

  11. Structure of sodium above 100 GPa by single-crystal x-ray diffraction.

    Science.gov (United States)

    McMahon, M I; Gregoryanz, E; Lundegaard, L F; Loa, I; Guillaume, C; Nelmes, R J; Kleppe, A K; Amboage, M; Wilhelm, H; Jephcoat, A P

    2007-10-30

    At pressures above a megabar (100 GPa), sodium crystallizes in a number of complex crystal structures with unusually low melting temperatures, reaching as low as 300 K at 118 GPa. We have utilized this unique behavior at extreme pressures to grow a single crystal of sodium at 108 GPa, and have investigated the complex crystal structure at this pressure using high-intensity x-rays from the new Diamond synchrotron source, in combination with a pressure cell with wide angular apertures. We confirm that, at 108 GPa, sodium is isostructural with the cI16 phase of lithium, and we have refined the full crystal structure of this phase. The results demonstrate the extension of single-crystal structure refinement beyond 100 GPa and raise the prospect of successfully determining the structures of yet more complex phases reported in sodium and other elements at extreme pressures.

  12. Thermoluminescent properties of undoped and Ce-doped lutetium orthosilicate and yttrium orthosilicate single crystals and single crystalline films scintillators

    Czech Academy of Sciences Publication Activity Database

    Twardak, A.; Bilski, B.; Zorenko, Yu.; Zorenko, T.; Gorbenko, V.; Mandowska, E.; Mandowski, A.; Sidletskiy, O.; Mareš, Jiří A.

    2014-01-01

    Roč. 61, č. 1 (2014), s. 276-281 ISSN 0018-9499 Institutional support: RVO:68378271 Keywords : LSO * single crystalline films * single crystals * thermoluminescence * YSO Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.283, year: 2014

  13. Massive photon properties in 3D photonic crystals, filled by dielectrics or metals

    International Nuclear Information System (INIS)

    Gorelik, V S

    2009-01-01

    The optical properties of 3D photonic crystals-artificial opals, consisting of monosized silica globules-have been investigated. The volume between globules was filled by various dielectrics or metals. The dispersion law of electromagnetic waves of this type of crystal has been obtained. It was shown that the sign of photonic mass in globular photonic crystals may be positive or negative for different points on dispersion curves. The value of the effective mass of photons depends on the refractive index of the substance infiltrated into the globular photonic crystal.

  14. Interdiffusion behavior between NiAlHf coating and Ni-based single crystal superalloy with different crystal orientations

    International Nuclear Information System (INIS)

    Wang, Ruili; Gong, Xueyuan; Peng, Hui; Ma, Yue; Guo, Hongbo

    2015-01-01

    Highlights: • The interdiffusion behavior between the NiAlHf coating and the superalloy substrate was influenced by the crystal orientation of the substrate alloy. • The structure of TCP phases formed in SRZ and IDZ was studied. • Studying the effect of orientation crystal of substrate on the formation of SRZ. - Abstract: NiAlHf coatings were deposited onto Ni-based single crystal (SC) superalloy with different crystal orientations by electron beam physical vapor deposition (EB-PVD). The effects of the crystal orientations of the superalloy substrate on inter-diffusion behavior between the substrate and the NiAlHf coating were investigated. Substrate diffusion zone (SDZ) containing needle-like μ phases and interdiffusion zone (IDZ) mainly consisting of the ellipsoidal and rod-like μ phases were formed in the SC alloy after heat-treatment 10 h at 1100 °C. The thickness of secondary reaction zone (SRZ) formed in the SC alloy with (0 1 1) crystal orientation is about 14 μm after 50 h heat-treatment at 1100 °C, which is relatively thicker than that in the SC alloy with (0 0 1) crystal orientation, whereas the IDZ revealed similar thickness

  15. Study of dopamine reactivity on platinum single crystal electrode surfaces

    International Nuclear Information System (INIS)

    Chumillas, Sara; Figueiredo, Marta C.; Climent, Víctor; Feliu, Juan M.

    2013-01-01

    Dopamine is the biological molecule responsible, among other functions, of the heart beat and blood pressure regulation. Its loss, in the human body, can result in serious diseases such as Parkinson's, schizophrenia or depression. Structurally, this molecule belongs to the group of catecholamines, together with epinephrine (adrenaline) and norepinephrine (noradrenaline). The hydroquinone moiety of the molecule can be easily oxidized to quinone, rendering the electrochemical methods a convenient approach for the development of dopamine biosensors. The reactivity of similar aromatic molecules, such as catechol and hydroquinone, at well-ordered platinum surfaces, has recently been investigated in our group. In this paper, we extend these studies to the structurally related molecule dopamine. The study has been performed in neutral pH, since this is closer to the natural conditions for these molecules in biological media. Cyclic voltammetry and in situ infra-red spectroscopy have been combined to extract information about the behavior of this molecule on well-defined platinum surfaces. Dopamine appears to be electrochemically active and reveals interesting adsorption phenomena at low potentials (0.15–0.25 V vs RHE), sensitive to the single crystal orientation. The adsorption of dopamine on these surfaces is very strong, taking place at much lower potentials than the electron transfer from solution species. Specifically, the voltammetry of Pt(1 1 1) and Pt(1 0 0) in dopamine solutions shows an oxidation peak at potentials close to the onset of hydrogen evolution, which is related to the desorption of hydrogen and the adsorption of dopamine. On the other hand, adsorption on Pt(1 1 0) is irreversible and the surface appears totally blocked. Spectroscopic results indicate that dopamine is adsorbed flat on the surface. At potentials higher than 0.6 V vs RHE the three basal planes show a common redox process. The initial formation of the quinone moiety is followed by a

  16. Gallium arsenide single crystal solar cell structure and method of making

    Science.gov (United States)

    Stirn, Richard J. (Inventor)

    1983-01-01

    A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.

  17. Preliminary experiments on phase conjugation for flow visualization. [barium titanate single crystals

    Science.gov (United States)

    Weimer, D.; Howes, W. L.

    1984-01-01

    Barium titanate single crystals are discussed in the context of: the procedure for polarizing a crystal; a test for phase conjugation; transients in the production of phase conjugation; real time readout by a separate laser of a hologram induced within the crystal, including conjugation response times to on-off switching of each beam; and a demonstration of a Twyman-Green interferometer utilizing phase conjugation.

  18. Direct fabrication of diffraction grating onto organic single crystals by electron beam lithography

    Science.gov (United States)

    Kawata, Yoshihiro; Aoki, Kazuki; Inada, Yuhi; Yamao, Takeshi; Hotta, Shu

    2018-03-01

    We have directly fabricated a diffraction grating onto platelike single crystals made of an organic semiconducting oligomer by electron beam lithography followed by reactive-ion etching. The decrease in the grating period resulted in photoexcited spectrally narrowed emission peaks related to the first-order diffraction from the crystal edge without outstanding quenching of the crystal. This work is expected to lead to the realization of organic semiconductor lasers.

  19. Experimental realization of highly efficient broadband coupling of single quantum dots to a photonic crystal waveguide

    DEFF Research Database (Denmark)

    Lund-Hansen, Toke; Stobbe, Søren; Julsgaard, Brian

    2008-01-01

    We present time-resolved spontaneous emission measurements of single quantum dots embedded in photonic crystal waveguides. Quantum dots that couple to a photonic crystal waveguide are found to decay up to 27 times faster than uncoupled quantum dots. From these measurements -factors of up to 0.89 ...... taking into account that the light-matter coupling is strongly enhanced due to the significant slow-down of light in the photonic crystal waveguides....

  20. Estimation of Single-Crystal Elastic Constants from Ultrasonic Measurements on Polycrystalline Specimens

    International Nuclear Information System (INIS)

    Haldipur, P.; Margetan, F.J.; Thompson, R.B.

    2004-01-01

    In past work we reported on measurements of ultrasonic velocity, attenuation and backscattering in nickel-alloy materials used in the fabrication of rotating jet-engine components. Attenuation and backscattering were shown to be correlated to the average grain diameter, which varied with position in the billet specimens studied. The ultrasonic measurements and associated metallographic studies found the local microstructures to be approximately equiaxed and free of texture in these cubic-phase metals. In this paper we explore a method for deducing the single-crystal elastic constants of a metal using the combined ultrasonic and metallographic data for a polycrystalline specimen. We specifically consider the case seen in the jet-engine alloys: polycrystalline cubic microstructures having equiaxed, randomly oriented grains. We demonstrate how the three independent elastic constants {C11, C12, C44} can be deduced from the density, the mean grain diameter, the ultrasonic attenuation at one or more frequencies, and the longitudinal and shear wave speeds. The method makes use of the attenuation theory of Stanke and Kino, and the Hill averaging procedure for estimating the sonic velocity through a polycrystalline material. Elastic constant inputs to the velocity and attenuation models are adjusted to optimize the agreement with experiment. The method is demonstrated using several specimens of Inconel 718 and Waspaloy, and further tested using four specimens of pure Nickel