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Sample records for dislocated single crystals

  1. 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.

  2. 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.

  3. Prismatic dislocation loops and concentric dislocation loops in HPHT-grown diamond single crystals

    International Nuclear Information System (INIS)

    Yin, L.-W.; Li, M.-S.; Zou, Z.-D.; Gong, Z.-G.; Hao, Z.-Y.

    2003-01-01

    As-grown diamond single crystals grown from Fe-Ni-C system under high temperature-high pressure were examined by transmission electron microscopy. There exist prismatic dislocation loops and concentric dislocation loops in the diamond, which are related to the nonequilibrium nature of the diamond synthesis process. The prismatic dislocation loops may be formed by vacancy condensation during rapid cooling from high temperature, and the Burgers vector of the dislocation is determined by diffraction contrast as 1/2 . Moire fringes formed by two overlapping (1 1 1) close-packed planes were used to study concentric dislocation loops. The concentric dislocation loops may be derived from thermal stress caused by the inclusions in the diamond, which cause a strain field due to the thermal contraction difference between the inclusions and the diamond during cooling from high temperature

  4. 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.

  5. 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.

  6. Polycrystal deformation and single crystal deformation: Dislocation structure and flow stress in copper

    DEFF Research Database (Denmark)

    Huang, X.; Borrego, A.; Pantleon, W.

    2001-01-01

    The relation between the polycrystal deformation and single crystal deformation has been studied for pure polycrystalline copper deformed in tension. The dislocation microstructure has been analyzed for grains of different orientation by transmission electron microscopy (TEM) and three types...

  7. Dislocation Interactions in .gamma.-Channels between .gamma.'-Particles of Superalloy Single Crystals

    Czech Academy of Sciences Publication Activity Database

    Probst-Hein, M.; Dlouhý, Antonín; Eggeler, G.

    319-321, - (2001), s. 379-382 ISSN 0921-5093. [International Conference on the Strength of Materials /12./. Asilomar, 27.08.2000-01.09.2000] R&D Projects: GA MŠk OC P3.50 Institutional research plan: CEZ:AV0Z2041904 Keywords : discrete dislocation modeling * single crystal superalloys * .gamma./.gamma.'-interface dislocations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.978, year: 2001

  8. Twinning dislocation and twin propagation process in a nickel-base single crystal TMS-82 superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Xianzi; Zhang, Jianxin [Shandong Univ., Jinan (China). Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials; Harada, Hiroshi [National Institute for Materials Science, Ibaraki (Japan)

    2014-03-15

    Thermomechanical fatigue cyclic loading tests have been carried out along the <001> orientation and the formation of twins during thermomechanical fatigue processing has been studied in detail in a nickel-base single crystal TMS-82 superalloy. The twinning dislocation is determined to be 1/6<112> in the γ' phase except for the 1/3<112> dislocation, which operates on every successive {111} plane. The 1/6<112> twinning dislocations can move independently in both γ and γ' phases. Although movement of a single 1/6<112> twining dislocation may destroy the ordering of γ' phase, its existence is rationalized on the basis of crystallographic analysis. The movement of a 1/3<112> dislocation on a single {111} plane will lead to a high-energy stacking sequence of head-to-head of two neighboring {111} layer atoms in the L1{sub 2} structure. Pre-existing dislocations have a significant effect on the growth of deformation twins. In the dislocation-free area, the twin can propagate without any notable impediment to lead to a twin plate with equal width. High dislocation density may hinder the propagation of twins to varying degrees. (orig.)

  9. Creep and Dislocation Structure in Copper Single Crystals Compressed in Directions [010], [110] and [111

    Czech Academy of Sciences Publication Activity Database

    Orlová, Alena

    2001-01-01

    Roč. 92, č. 1 (2001), s. 76-81 ISSN 0044-3093 R&D Projects: GA ČR GA106/98/1369 Institutional research plan: CEZ:AV0Z2041904 Keywords : dislocation structure * single crystals of copper * creep Subject RIV: JG - Metallurgy Impact factor: 0.768, year: 2001

  10. Alloying effects of refractory elements in the dislocation of Ni-based single crystal superalloys

    Directory of Open Access Journals (Sweden)

    Shiyu Ma

    2016-12-01

    Full Text Available The alloying effects of W, Cr and Re in the [100] (010 edge dislocation cores (EDC of Ni-based single crystal superalloys are investigated using first-principles based on the density functional theory (DFT. The binding energy, Mulliken orbital population, density of states, charge density and radial distribution functions are discussed, respectively. It is clearly demonstrated that the addition of refractory elements improves the stability of the EDC systems. In addition, they can form tougher bonds with their nearest neighbour (NN Ni atoms, which enhance the mechanical properties of the Ni-based single crystal superalloys. Through comparative analysis, Cr-doped system has lower binding energy, and Cr atom has evident effect to improve the systemic stability. However, Re atom has the stronger alloying effect in Ni-based single crystal superalloys, much more effectively hindering dislocation motion than W and Cr atoms.

  11. Environmental effects on deformation mechanism and dislocation microstructure in fatigued copper single crystal

    International Nuclear Information System (INIS)

    Yang, J.H.; Zhang, X.P.; Mai, Y.-W.; Jia, W.P.; Ke, W.

    2005-01-01

    The deformation and dislocation microstructure of a [0 1 3] double-slip-oriented copper single crystal under a symmetric tension-compression cyclic load were characterized at room temperature in open-air and a neutral 0.5 M NaCl aqueous solution, respectively. The surface morphology of deformed specimens and the dislocation structures at saturation stage of cyclic deformation were observed using scanning electron microscopy (SEM) by the electron channeling contrast (ECC) technique and transmission electron microscopy (TEM). The results show that the saturation dislocation structures during the corrosion fatigue in the 0.5 M NaCl aqueous solution mainly consist of labyrinth, wall and vein dislocation microstructures, as well as deformation twins, which differ from the wall and vein dislocation structures in open-air environment. More importantly, here we report TEM observations that provide evidence of deformation twinning in the [0 1 3] double-slip-oriented copper single crystal during corrosion fatigue at room temperature and a very slow strain rate, which was generally only observed at sub-ambient temperature and/or high strain rate conditions

  12. Slip-band formation and dislocation kinetics in the stage I deformation of neutron-irradiated copper single crystals

    International Nuclear Information System (INIS)

    Kitajima, Sadakichi; Shinohara, Kazutoshi; Kutsuwada, Masanori

    1995-01-01

    The velocity of edge and screw dislocations moving in primary slip bands and the formation rate of primary slip bands were measured in stage I deformation of neutron-irradiated copper single crystals at different strain rates at room temperature using micro-cinematography and optical micrography. The average velocity of edge dislocations was larger at least by one order than that of screw ones, and that of screw dislocations did not depend so strongly on strain rate. The formation rate of primary slip bands was proportional to strain rate. From these results, it is concluded that (1) jogs produced on moving dislocations by cutting dislocation loops result in the difference in velocity between edge and screw dislocations and (2) the change in the density of mobile dislocations as well as velocity of dislocations is responsible for the change of plastic strain rate of a crystal. (author)

  13. The Relevant Role of Dislocations in the Martensitic Transformations in Cu-Al-Ni Single Crystals

    Science.gov (United States)

    Gastien, R.; Sade, M.; Lovey, F. C.

    2018-02-01

    The interaction between dislocations and martensitic transformations in Cu-Al-Ni alloys is shortly reviewed. Results from many researchers are critically analyzed towards a clear interpretation of the relevant role played by dislocations on the properties of shape memory alloys in Cu-based alloys. Both thermally and stress-induced transformations are considered and focus is paid on two types of transitions, the β→β' and the formation of a mixture of martensites: β→β' + γ'. After cycling in the range where both martensites are formed, the twinned γ' phase is inhibited and cycling evolves into the formation of only β'. A model which considers the difference in energy of each γ' twin variant due to the introduced dislocations quantitatively explains the inhibition of γ' in both thermally and stress-induced cycling. The type of dislocations which are mainly introduced, mixed with Burgers vector belonging to the basal plane of the β' martensite, enables also to explain the unmodified mechanical behavior during β→β' cycling. The reported behavior shows interesting advantages of Cu-Al-Ni single crystals if mechanical properties are comparatively considered with those in other Cu-based alloys.

  14. Development of the dislocation arrangement in high-purity Nb-34 at% Ta alloy single crystals deformed in tension

    International Nuclear Information System (INIS)

    Wasserbaech, W.

    1995-01-01

    The deformation behaviour and the dislocation arrangement of high-purity Nb-34 at% Ta alloy single crystals after tensile deformation at 330 K into different stages are studied by slip-line observations, Laue X-ray back-reflection, X-ray topography, and transmission electron microscopy (TEM). In stage I of the work-hardening curve, the dislocation arrangement consists predominantly of primary dislocations, which are clustered into bundles in the form of braids. Fine slip traces on the surface of the specimens show that the slip proceeds homogeneously in the whole volume of the crystal. Stage II, which is a characteristic property of f.c.c. metals, is missing. Instead, the experimental findings suggest that a gradual transition occurs from stage I into stage III. The transition region is characterized by a pronounced formation of dislocation sheets approximately parallel to the primary slip plane. The dislocation sheets are crossed grids of primary and secondary dislocations and occur in pairs. The secondary slip necessary for the formation of the dislocation sheets is found to occur in the direction favoured by the applied shear stress. In spite of the different dislocation arrangements, the slip processes in stage I and stage III seem to be essentially the same. In both cases the macroscopic slip proceeds by glide of primary dislocations over large slip distances, whereby the plane that carries the maximum resolved shear stress (MRSS) is the active macroscopic slip plane. (orig.)

  15. Study by X ray topography of dislocation rise and sliding in zinc and cadmium single crystals

    International Nuclear Information System (INIS)

    G'Sell, Christian

    1977-01-01

    After having recalled that dislocation rise with a Burgers vector component located off the base plane has already been observed in zinc and cadmium by transmission electron microscopy and by X-ray topography on very thin crystals (5 microns), and that the Burgers vectors and characteristics of the rising configuration could not be precisely determined, this research thesis addresses the study of this phenomenon of dislocation rise by observing displacements in thicker (100 microns) zinc and cadmium crystals, by using X-ray topography. Rise is firstly observed during temperature variation, and the evolution of the initial configuration of dislocations is determined. The influences of atmosphere nature and of crystal surface condition resulting from different chemical treatments are studied. Dislocation sliding in the base plane is studied by determining different characteristics of sliding induced micro-deformation

  16. Continuum dislocation-density based models for the dynamic shock response of single-crystal and polycrystalline materials

    Science.gov (United States)

    Luscher, Darby

    2017-06-01

    The dynamic thermomechanical responses of polycrystalline materials under shock loading are often dominated by the interaction of defects and interfaces. For example, polymer-bonded explosives (PBX) can initiate under weak shock impacts whose energy, if distributed homogeneously throughout the material, translates to temperature increases that are insufficient to drive the rapid chemistry observed. In such cases, heterogeneous thermomechanical interactions at the mesoscale (i.e. between single-crystal and macroscale) lead to the formation of localized hot spots. Within metals, a prescribed deformation associated with a shock wave may be accommodated by crystallographic slip, provided a sufficient population of mobile dislocations is available. However, if the deformation rate is large enough, there may be an insufficient number of freely mobile dislocations. In these cases, additional dislocations may be nucleated, or alternate mechanisms (e.g. twinning, damage) activated in order to accommodate the deformation. Direct numerical simulation at the mesoscale offers insight into these physical processes that can be invaluable to the development of macroscale constitutive theories, if the mesoscale models adequately represent the anisotropic nonlinear thermomechanical response of individual crystals and their interfaces. This talk will briefly outline a continuum mesoscale modeling framework founded upon local and nonlocal variations of dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with the local theory. In the latter, dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations. Development of the local theory and application to modeling the explosive molecular crystal

  17. Electronic properties of dislocations introduced mechanically at room temperature on a single crystal silicon surface

    International Nuclear Information System (INIS)

    Ogawa, Masatoshi; Kamiya, Shoji; Izumi, Hayato; Tokuda, Yutaka

    2012-01-01

    This paper focuses on the effects of temperature and environment on the electronic properties of dislocations in n-type single crystal silicon near the surface. Deep level transient spectroscopy (DLTS) analyses were carried out with Schottky electrodes and p + -n junctions. The trap level, originally found at E C -0.50 eV (as commonly reported), shifted to a shallower level at E C -0.23 eV after a heat treatment at 350 K in an inert environment. The same heat treatment in lab air, however, did not cause any shift. The trap level shifted by the heat treatment in an inert environment was found to revert back to the original level when the specimens were exposed to lab air again. Therefore, the intrinsic trap level is expected to occur at E C -0.23 eV and shift sensitively with gas adsorption in air.

  18. Ordered misfit dislocations in epitaxial Gd doped CeO2 thin films deposited on (001)YSZ single crystal substrates

    Science.gov (United States)

    Petrișor, T.; Meledin, A.; Boulle, A.; Moș, R. B.; Gabor, M. S.; Ciontea, L.; Petrișor, T.

    2018-03-01

    Misfit dislocations are ubiquitous in thin film systems, and their presence can profoundly affect the chemical and physical properties of materials. In the present paper, we investigate the misfit dislocation array present at the interface of a Gd doped CeO2 thin film epitaxially grown on a (001) yttria stabilized zirconia (YSZ) single crystal substrate. Because of the large misfit strain (-4.9%), the growth takes place by domain-matching epitaxy with the formation of geometrical misfit dislocations. Transmission electron microscopy (TEM) observations, combined with geometrical phase analysis and strain field calculations (in the case of elastic isotropy), reveal that the misfit dislocations are of purely edge type with Burgers vector b = ½[110] and with the dislocations lines parallel to the [1-10] direction. X-ray diffraction, combined with Monte Carlo simulations, allow to quantify the statistical properties of the dislocations ensemble. It is found that the dislocations are distributed according to a Gamma distribution with a mean dislocation spacing of 7.4 nm and with a spacing ranging from 3.5 to 12 nm, in excellent agreement with TEM observations and with the values expected from the relaxation of the misfit strain.

  19. Computational analysis of heat transfer, thermal stress and dislocation density during resistively Czochralski growth of germanium single crystal

    Science.gov (United States)

    Tavakoli, Mohammad Hossein; Renani, Elahe Kabiri; Honarmandnia, Mohtaram; Ezheiyan, Mahdi

    2018-02-01

    In this paper, a set of numerical simulations of fluid flow, temperature gradient, thermal stress and dislocation density for a Czochralski setup used to grow IR optical-grade Ge single crystal have been done for different stages of the growth process. A two-dimensional steady state finite element method has been applied for all calculations. The obtained numerical results reveal that the thermal field, thermal stress and dislocation structure are mainly dependent on the crystal height, heat radiation and gas flow in the growth system.

  20. Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

    Science.gov (United States)

    Li, Nan-Lin; Wu, Wen-Ping; Nie, Kai

    2018-05-01

    The evolution of misfit dislocation network at γ /γ‧ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the γ‧ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension-compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.

  1. The peculiar effect of forest dislocations on single twin layer development in zinc and beryllium single crystals

    International Nuclear Information System (INIS)

    Lavrentev, F.F.; Bosin, M.E.

    1978-01-01

    This is an investigation of the effect of different types of forest dislocation on the rate of twin layer broadening, Vsub(n), in zinc and beryllium crystals, and on the velocity of the twinning dislocation movement, Vsub(t), in zinc crystals under the action of a constant external shear stress. Increasing the forest basal dislocation density, rhosub(b), was found to result in increasing Vsub(n) and reducing Vsub(t), while increasing the forest pyramidal dislocation density, rhosub(p), causes Vsub(n) to decrease. An analysis in terms of crystal geometry shows that the dualism of the influence of the basal dislocations stems from the fact that they behave as twinning dislocation sources whose density, increasing with rhosub(b) leads to higher Vsub(n). The decrease in the effective stress, tausup(*), with increasing rhosub(b) is estimated. An analysis of the experimental data yielded the relation Vsub(t)(tausup(*)) and an estimate of the activation volume, which amounted to 6 x 10 -21 cm 3 . The close coincidence of the activation volumes as obtained from Vsub(t)(tausup(*)) and Vsub(n)(tau) suggests that the rate-controlling mechanism of the twin layer development in zinc crystals with large forest basal dislocation density is the twinning dislocation inhibition. In Be crystals, the increasing Vsub(n) effect is observed during untwinning. In Be twinned crystals, electron microscopy revealed twinning dislocations with a density of about 10 5 cm -1 at the twin boundaries and a large forest basal dislocation density inside the twin (ca. 10 8 cm -2 ). (Auth.)

  2. On modeling of geometrically necessary dislocation densities in plastically deformed single crystals

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2013-01-01

    A computational method for strain gradient single crystal plasticity is presented. The method accounts for both recoverable and dissipative gradient effects. The mathematical solution procedure is predicated on two minimum principles along the lines of those devised by Fleck and Willis (2009) for...

  3. Observations of Glide and Decomposition of a Dislocations at High Temperatures in Ni-Al Single Crystals Deformed along the Hard Orientation

    Science.gov (United States)

    Srinivasan, R.; Daw, M. S.; Noebe, R. D.; Mills, M. J.

    2003-01-01

    Ni-44at.% Al and Ni-50at.% single crystals were tested in compression in the hard (001) orientations. The dislocation processes and deformation behavior were studied as a function of temperature, strain and strain rate. A slip transition in NiAl occurs from alpha(111) slip to non-alphaaaaaaaaaaa9111) slip at intermediate temperatures. In Ni-50at.% Al single crystal, only alpha(010) dislocations are observed above the slip transition temperature. In contrast, alpha(101)(101) glide has been observed to control deformation beyond the slip transition temperature in Ni-44at.%Al. alpha(101) dislocations are observed primarily along both (111) directions in the glide plane. High-resolution transmission electron microscopy observations show that the core of the alpha(101) dislocations along these directions is decomposed into two alpha(010) dislocations, separated by a distance of approximately 2nm. The temperature window of stability for these alpha(101) dislocations depends upon the strain rate. At a strain rate of 1.4 x 10(exp -4)/s, lpha(101) dislocations are observed between 800 and 1000K. Complete decomposition of a alpha(101) dislocations into alpha(010) dislocations occurs beyond 1000K, leading to alpha(010) climb as the deformation mode at higher temperature. At lower strain rates, decomposition of a alpha(101) dislocations has been observed to occur along the edge orientation at temperatures below 1000K. Embedded-atom method calculations and experimental results indicate that alpha(101) dislocation have a large Peieris stress at low temperature. Based on the present microstructural observations and a survey of the literature with respect to vacancy content and diffusion in NiAl, a model is proposed for alpha(101)(101) glide in Ni-44at.%Al, and for the observed yield strength versus temperature behavior of Ni-Al alloys at intermediate and high temperatures.

  4. Direct observation of gliding dislocations interactions with defects in irradiated niobium single crystals by means of the high voltage electronic microscopy (HVEM)

    International Nuclear Information System (INIS)

    Otero, M.P.

    1985-01-01

    The interactions of gliding dislocations with defects in irradiated niobium that result in the formation of dislocations channels. The effects in the mechanical behaviour of [941]- and [441]- oriented Nb single crystals due to oxygen addition, neutron and electron irradiation was observed either by macroscopic deformation in a Instron machine or 'in-situ' deformation in the HVEM-High Voltage Electron Microscope. Some specimens were irradiated at IPNS-Intense Pulsed Neutron Source, at 325 K, with 5 x 10 17 n/cm 2 , others were irradiated with electrons in the HVEM. The interactions between gliding dislocations with clusters point defects and dislocations were observed. The primary mechanism for removal of the clusters by the gliding dislocations was the 'sweeping' of the clusters along with the gliding dislocations. As to the point defects, they were 'swept' by the gliding dislocations and left as aligned loops close to the intersections of the gliding dislocations with the upper and lower specimen surfaces. For the illustration of this phenomena, a schematic drawing was made. The mechanism of 'bowing-out' interaction of dislocations with defect clusters was also observed. The reported anomalous slip observed to operate in the [941]- oriented Nb was also directly observed and a qualitive explanation along with a schematic drawing was proposed. This would explain the softenig observed after the yield stress in the [941]- oriented Nb deformed in the Instron machine. (Author) [pt

  5. Coupling between Re segregation and γ/γ′ interfacial dislocations during high-temperature, low-stress creep of a nickel-based single-crystal superalloy

    International Nuclear Information System (INIS)

    Huang, Ming; Cheng, Zhiying; Xiong, Jichun; Li, Jiarong; Hu, Jianqiao; Liu, Zhanli; Zhu, Jing

    2014-01-01

    The synergistic action of local elemental distribution, and in particular Re doping, with interfacial dislocations at the γ/γ′ interface is still one of the most considered and unclear issues during creep of nickel-based single-crystal superalloys. In order to investigate this problem, a detailed characterization of interfacial dislocations in a DD6 superalloy after creep loading for 12 h at high temperature and low stress was carried out using transmission electron microscopy and high-angle annular dark field scanning transmission electron microscopy techniques. In addition, the local elemental distribution near dislocation core regions was determined by energy dispersive X-ray spectroscopy (EDS) mapping. It was found for the first time that three types of interfacial protrusions are formed at the γ/γ′ interface after creep loading for 12 h under conditions of high temperature and low stress and demonstrated that the formation of these features originates from dislocation motion. Additionally, EDS mapping provides evidence for co-segregation of Re with Cr and Co at the tip of the protrusions. Based on this, a model concerning dislocation core structure and dislocation climb was proposed to explain the different morphology of the protrusions. The observations highlight the importance of the coupling between Re segregation and γ/γ′ interfacial dislocations for improving creep properties in nickel-based superalloys. The results of the study will be beneficial for the design of new high-temperature materials and for understanding the origin of the effect of Re additions in nickel-based single-crystal superalloys

  6. Canonical Quantization of Crystal Dislocation and Electron-Dislocation Scattering in an Isotropic Media

    Science.gov (United States)

    Li, Mingda; Cui, Wenping; Dresselhaus, M. S.; Chen, Gang; MIT Team; Boston College Team

    Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and decent quantum-mechanical theory of dislocation remains undiscovered for decades. Here we present an exact and manageable Hamiltonian theory for both edge and screw dislocation line in an isotropic media, where the effective Hamiltonian of a single dislocation line can be written in a harmonic-oscillator-like form, with closed-form quantized 1D phonon-like excitation. Moreover a closed-form, position dependent electron-dislocation coupling strength is obtained, from which we obtained good agreement of relaxation time when comparing with classical results. This Hamiltonian provides a platform to study the effect of dislocation to materials' non-mechanical properties from a fundamental Hamiltonian level.

  7. Leakage current analysis for dislocations in Na-flux GaN bulk single crystals by conductive atomic force microscopy

    Science.gov (United States)

    Hamachi, T.; Takeuchi, S.; Tohei, T.; Imanishi, M.; Imade, M.; Mori, Y.; Sakai, A.

    2018-04-01

    The mechanisms associated with electrical conduction through individual threading dislocations (TDs) in a Na-flux GaN crystal grown with a multipoint-seed-GaN technique were investigated by conductive atomic force microscopy (C-AFM). To focus on individual TDs, dislocation-related etch pits (DREPs) were formed on the Na-flux GaN surface by wet chemical etching, after which microscopic Pt electrodes were locally fabricated on the DREPs to form conformal contacts to the Na-flux GaN crystal, using electron beam assisted deposition. The C-AFM data clearly demonstrate that the leakage current flows through the individual TD sites. It is also evident that the leakage current and the electrical conduction mechanism vary significantly based on the area within the Na-flux GaN crystal where the TDs are formed. These regions include the c-growth sector (cGS) in which the GaN grows in the [0001 ] direction on top of the point-seed with a c-plane growth front, the facet-growth sector (FGS) in which the GaN grows with {10 1 ¯ 1 } facets on the side of the cGS, the boundary region between the cGS and FGS (BR), and the coalescence boundary region between FGSs (CBR). The local current-voltage (I-V) characteristics of the specimen demonstrate space charge limited current conduction and conduction related to band-like trap states associated with TDs in the FGS, BR, and CBR. A detailed analysis of the I-V data indicates that the electrical conduction through TDs in the cGS may proceed via the Poole-Frenkel emission mechanism.

  8. Microplasticity and dislocation mobility in copper-nickel single crystals evaluated from strain-amplitude-dependent internal friction. [CuNi

    Energy Technology Data Exchange (ETDEWEB)

    Nishino, Y.; Okada, Y.; Asano, S. (Dept. of Materials Science and Engineering, Nagoya Inst. of Tech. (Japan))

    1992-02-16

    Internal friction in copper-0.4 to 7.6 at% nickel single crystals is measured as a function of strain amplitude at various temperatures. Analysis of the data on the amplitude-dependent internal friction yields the relation of effective stress and microplastic strain of the order of 10{sup -9}. The stress-strain responses thus obtained exhibit that the microplastic flow stress increases more rapidly on alloying than the macroscopic yield stress. The mean dislocation velocity is also evaluated from the internal-friction data, which corresponds well to the etch-pit data. It is shown that the dislocation motion is impeded by friction due to dispersed solute atoms. (orig.).

  9. Effect of oxygen on dislocation multiplication in silicon crystals

    Science.gov (United States)

    Fukushima, Wataru; Harada, Hirofumi; Miyamura, Yoshiji; Imai, Masato; Nakano, Satoshi; Kakimoto, Koichi

    2018-03-01

    This paper aims to clarify the effect of oxygen on dislocation multiplication in silicon single crystals grown by the Czochralski and floating zone methods using numerical analysis. The analysis is based on the Alexander-Haasen-Sumino model and involves oxygen diffusion from the bulk to the dislocation cores during the annealing process in a furnace. The results show that after the annealing process, the dislocation density in silicon single crystals decreases as a function of oxygen concentration. This decrease can be explained by considering the unlocking stress caused by interstitial oxygen atoms. When the oxygen concentration is 7.5 × 1017 cm-3, the total stress is about 2 MPa and the unlocking stress is less than 1 MPa. As the oxygen concentration increases, the unlocking stress also increases; however, the dislocation velocity decreases.

  10. 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.

  11. Peculiarities of high-amplitude dislocation internal friction in molybdenum single crystals of high purity in the temperature range 5.9 to 300 K

    International Nuclear Information System (INIS)

    Kaufmann, H.J.; Pal-Val, P.P.

    1982-01-01

    Amplitude dependences of internal friction in molybdenum single crystals of the orientations , , , are studied. The residual resistance ratio of the samples is (1 to 2) x 10 5 . The measurements are carried out at the frequency of 88 kHz in the temperature range 5.9 to 300 K. At low temperatures (<= 90 K) a maximum is found in the decrement amplitude dependences the height of which decreases rapidly with decreasing temperature. In this case the maximum position in the amplitude deformation axis does not change. In the same amplitude range a saturation region appears in the modulus defect amplitude dependences the magnitude of which also decreases rapidly with decreasing temperature. The observed behaviour of amplitude-dependent internal friction testifies to the fact that while decreasing temperature the losses connected with dislocation unpinning from the pinning centres decrease sharply. In molybdenum single crystals of lower purity or deformed at room temperature a maximum in the decrement amplitude dependences measured in the same amplitude range is absent. The peculiarities described cannot be explained in the framework of the theories presented. (author)

  12. The mean free path of mobile dislocations in ionic crystals

    International Nuclear Information System (INIS)

    Alsem, W.H.M.

    1981-01-01

    In this thesis results are presented of investigations on dislocation motion in deforming NaCl single crystals using the technique of pulsed nuclear magnetic resonance. In particular, the spin-locking pulse sequence is used to measure Tsub(lrho), which is the spin-lattice relaxation time in the presence of a resonant rf magnetic field. Tsub(lrho) depends strongly on the mean free path L, which is covered by the dislocations during successive jumps between obstacles in their glide plane. (Auth.)

  13. Microdefects revealed by X-ray diffusion scattering in Czochralski-growth dislocation-free silicon single crystals

    International Nuclear Information System (INIS)

    Bublik, B.T.; Zotov, N.M.

    1997-01-01

    Microdefects in the regions of Si crystals having different thermal history defined by growth conditions was studied by the X-ray diffuse scattering method on a triple crystal X-ray diffractometer. It was shown that in such crystals the microdefects with positive strength are prevalent. However, between the above indicated regions the defects with the strength of opposite sign prevail

  14. Discrete dislocation plasticity analysis of single slip tension

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E

    2005-01-01

    The effect of loading conditions on the tensile stress versus strain response of micron-sized planar crystals with a single active slip system is investigated via finite and small deformation discrete dislocation plasticity analyses. When rotation of the tensile axis is prevented, lattice curvature

  15. Self-force on dislocation segments in anisotropic crystals

    International Nuclear Information System (INIS)

    Fitzgerald, S P; Aubry, S

    2010-01-01

    A dislocation segment in a crystal experiences a 'self-force', by virtue of the orientation dependence of its elastic energy. If the crystal is elastically isotropic, this force is manifested as a couple acting to rotate the segment toward the lower energy of the pure screw orientation (i.e. acting to align the dislocation line with its Burgers vector). If the crystal is anisotropic, there are additional contributions to the couple, arising from the more complex energy landscape of the lattice itself. These effects can strongly influence the dynamic evolution of dislocation networks, and via their governing role in dislocation multiplication phenomena, control plastic flow in metals. In this paper we develop a model for dislocation self-forces in a general anisotropic crystal, and briefly consider the technologically important example of α-iron, which becomes increasingly anisotropic as the temperature approaches that of the α-γ phase transition at 912 0 C.

  16. Extracting dislocations and non-dislocation crystal defects from atomistic simulation data

    International Nuclear Information System (INIS)

    Stukowski, Alexander; Albe, Karsten

    2010-01-01

    We describe a novel method for extracting dislocation lines from atomistic simulation data in a fully automated way. The dislocation extraction algorithm (DXA) generates a geometric description of dislocation lines contained in an arbitrary crystalline model structure. Burgers vectors are determined reliably, and the extracted dislocation network fulfills the Burgers vector conservation rule at each node. All remaining crystal defects (grain boundaries, surfaces, etc), which cannot be represented by one-dimensional dislocation lines, are output as triangulated surfaces. This geometric representation is ideal for visualization of complex defect structures, even if they are not related to dislocation activity. In contrast to the recently proposed on-the-fly dislocation detection algorithm (ODDA) Stukowski (2010 Modelling Simul. Mater. Sci. Eng. 18 015012) the new method is extremely robust. While the ODDA was designed for a computationally efficient on-the-fly analysis, the DXA method enables a detailed analysis of dislocation lines even in highly distorted crystal regions, as they occur, for instance, close to grain boundaries or in dense dislocation networks

  17. Effect of dislocations of forest on relaxation of mechanical stresses in irradiated zinc crystals

    International Nuclear Information System (INIS)

    Troitskij, O.A.; Kalymbetov, P.U.; Kusainov, S.G.; Shambulov, N.B.

    1988-01-01

    Effect of forest dislocations on the value of electron-plastic effect (EPE) in zinc crystals during their irradiation by accelerated electron packets is investigated. The following mechanical parameters are determined experimentally: total relaxation of voltages Δσ for 180s; change in reforming voltage Δσpl in single pulses of irradiation on the slope and bottom of relaxation curves. The results obtained testify to the effectiveness of forest dislocations as surmountable obstacles for the dislocations shiding in the basis plane

  18. Interstitial impurity interactions and dislocation microdynamics in Mo crystals

    International Nuclear Information System (INIS)

    Kwok, D.N.

    1975-05-01

    The effects of interstitial impurities on the mechanical properties of molybdenum are explored by comparing results obtained for crystals of various interstitial contents controlled by ultra-high vacuum outgassing. Results show a modulus reduction for as-grown samples and for outgassed specimens at low applied stresses. As a function of plastic microstrain, the values of modulus defect for both as-grown and outgassed specimens saturate at the same value. Interstitial impurities act as pinning agents to dislocation bowing, but when all the easy dislocation loops have broken away from local interstitial pins, the modulus defect reaches a constant saturation value. Etch pitting techniques were used to correlate microstrain observations with dislocation generation and motion. It has been found that edge dislocation generation and movement are active in the microstrain region while screw dislocations are relatively inactive until the macrostrain region is reached. Dislocation velocities range from 10 -6 to 10 -3 cm/s and the average distance between interstitial impurity pinning points is found to be approximately 8 x 10 -4 cm. (U.S.)

  19. 3D quantum liquid crystals by condensation of dislocation worldsheets

    Science.gov (United States)

    Beekman, Aron; Wu, Kai; Nissinen, Jaakko; Zaanen, Jan

    A solid can partially melt into a liquid crystal where rotational rigidity is maintained while translational symmetry is restored. The topological melting is caused by an unbinding of dislocations. We recently provided a comprehensive review of quantum dislocation-mediated melting in 2D (arXiv:1603.04254). Through a duality mapping, phonons turn into dual gauge fields mediating interactions between dislocations. Upon condensation of dislocations, the dual gauge fields undergo the Anderson-Higgs mechanism and become gapped, signaling the loss of shear rigidity. Here we extend this theory to three dimensions. Dislocations are now linelike objects, strings, tracing out worldsheets in spacetime, while the dual gauge-fields become two-form (Kalb-Ramond) fields. We obtain the Higgs phase of these two-form gauge fields. Translational symmetry can be restored in three, two or one directions leading to nematic, smectic or columnar quantum liquid crystals. We derive the spectrum of low-energy excitations and its linear response. Goldstone modes due to broken rotational symmetry as well as superconductivity emerge whenever translational symmetry is restored. The peculiar features of liquid-crystalline order can be probed by finite-momentum spectroscopy.

  20. A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

    KAUST Repository

    Mohamed, Mamdouh S.

    2015-05-18

    The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

  1. Plastic deformation of tubular crystals by dislocation glide.

    Science.gov (United States)

    Beller, Daniel A; Nelson, David R

    2016-09-01

    Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

  2. Experimental evidence of the dependence of spin tunnelling on the concentration of dislocations in Mn12 crystals

    OpenAIRE

    Torres, F.; Hernandez, J. M.; Molins, E.; Garcia-Santiago, A.; Tejada, J.

    2001-01-01

    We present experimental results on resonant spin tunnelling in a single crystal of Mn$_{12}$-2Cl benzoate with different concentration of dislocations. The time evolution of the magnetisation follows the stretched exponential over a few time decades. The values of parameters of stretched exponential deduced from experiment have been used to determine the concentration of dislocations before and after the cooling-annealing process, using the algorithm recently suggested by Garanin and Chudnovsky.

  3. Plastic deformation of submicron-sized crystals studied by in-situ Kikuchi diffraction and dislocation imaging

    International Nuclear Information System (INIS)

    Zhang Xiaodan; Godfrey, Andrew; Winther, Grethe; Hansen, Niels; Huang Xiaoxu

    2012-01-01

    The plastic deformation of submicron-size copper single crystals in the form of pillars has been characterized during in-situ compression in the transmission electron microscope up to strains of 28–33% using a state-of-the-art holder (PI-95 PicoIndenter). The dimensions of the crystals used were approx. 500 × 250 × 200 nm 3 with the compression axis oriented 1.6° from [110]. Local crystallographic orientations have been determined with high accuracy using a Kikuchi diffraction method and glide of dislocations over a pillar has also been observed directly by dark field imaging. The variation in the local orientation during deformation has been followed by in-situ convergent beam electron Kikuchi diffraction. The in-situ observations have been followed up by post-deformation measurements with the samples still mounted in the electron microscope. Crystal breakup following localized deformation was observed in two of three crystals examined, and for all crystals the direction of rotation during deformation is in agreement with slip taking place on a subset of the four slip systems, with the highest Schmid factors on the (111) and (− 1–11) slip planes. A diffraction-based Burgers vector analysis confirms that the active dislocations are from slip systems with the highest Schmid factors. These results from testing of micropillars are in good agreement with the deformation behaviour previously reported for both single- and poly-crystal samples with dimensions in the millimetre range. - Highlights: ► We performed in-situ plastic deformation of submicron-sized copper single crystals. ► We measured in-situ and ex-situ crystal rotation and imaged dislocation activities. ► We measured crystallographic orientations and analyzed dislocation Burgers vectors. ► Crystals' rotation in agreement with slip of dislocations with highest Schmid factor. ► These results in good agreement with millimeter-scale samples' deformation behavior.

  4. Neutron small-angle scattering by dislocations in homogeneously oriented nematic liquid crystals

    International Nuclear Information System (INIS)

    Olivei, A.

    1976-01-01

    A complete examination of the shape of the neutron-scattering cross-section curves at very small scattering vectors, of the order of 0.05 to approximately 0.1 nm -1 , has been made for homogeneously oriented nematic liquid crystals. It is shown that the shape of the scattering curves at small angles is mainly determined by the kind of dislocation configuration exhibited by homogeneously oriented nematic liquid crystals. This study will furnish a partial guide to the construction of scattering relations for any kind of possible dislocation configuration in homogeneously oriented nematic liquid crystals, e.g. for stationary straight edge dislocations, moving edge dislocations, oscillating edge dislocations, curved dislocations and dislocation networks. (Auth.)

  5. 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).

  6. 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

  7. Interaction energy of interface dislocation loops in piezoelectric bi-crystals

    Directory of Open Access Journals (Sweden)

    Jianghong Yuan

    2017-03-01

    Full Text Available Interface dislocations may dramatically change the electric properties, such as polarization, of the piezoelectric crystals. In this paper, we study the linear interactions of two interface dislocation loops with arbitrary shape in generally anisotropic piezoelectric bi-crystals. A simple formula for calculating the interaction energy of the interface dislocation loops is derived and given by a double line integral along two closed dislocation curves. Particularly, interactions between two straight segments of the interface dislocations are solved analytically, which can be applied to approximate any curved loop so that an analytical solution can be also achieved. Numerical results show the influence of the bi-crystal interface as well as the material orientation on the interaction of interface dislocation loops.

  8. Dislocations and vacancies in two-dimensional mixed crystals of spheres and dimers

    KAUST Repository

    Gerbode, Sharon J.

    2010-10-15

    In colloidal crystals of spheres, dislocation motion is unrestricted. On the other hand, recent studies of relaxation in crystals of colloidal dimer particles have demonstrated that the dislocation dynamics in such crystals are reminiscent of glassy systems. The observed glassy dynamics arise as a result of dislocation cages formed by certain dimer orientations. In the current study, we use experiments and simulations to investigate the transition that arises when a pure sphere crystal is doped with an increasing concentration of dimers. Specifically, we focus on both dislocation caging and vacancy motion. Interestingly, we find that any nonzero fraction of dimers introduces finite dislocation cages, suggesting that glassy dynamics are present for any mixed crystal. However, we have also identified a vacancy-mediated uncaging mechanism for releasing dislocations from their cages. This mechanism is dependent on vacancy diffusion, which slows by orders of magnitude as the dimer concentration is increased. We propose that in mixed crystals with low dimer concentrations vacancy diffusion is fast enough to uncage dislocations and delay the onset of glassy dislocation dynamics. © 2010 The American Physical Society.

  9. Polar Liquid Crystal Elastomers Cross Linked Far from Thermodynamic Phase Transitions: Dislocation Loops in Smectic Clusters

    Directory of Open Access Journals (Sweden)

    Yusril Yusuf

    2013-01-01

    Full Text Available Nematic networks with three different concentrations of polar and nonpolar mesogens and the same concentration of a novel cross-linking agent give rise to unusual liquid single crystal elastomers (LSCEs that are transparent monodomain nematic networks with smectic clusters. The largest spontaneous length change is observed in the sample with 70 mol% of the polar mesogen which also has the highest glass transition temperature and smectic clusters with a slowly increasing but nearly constant layer spacing on cooling from 90°C to 25°C. X-ray scattering intensity from smectic clusters with layer spacings that monotonically increase on cooling first increases to a maximum at T*~60∘C corresponding to clusters of about 30 layers. Below T∗, the scattering intensity decreases as the number of layers in a cluster decreases. To account for this surprising nonlinear behavior that correlates with nonlinear features of the networks’ macroscopic spontaneous shape change and birefringence, a model is proposed where dislocations form in the layers at T∗. Below T∗, more dislocations form to break down the layer structure. The possibility of dislocation formation at T∗ independent of mesogenic concentrations is attributed to a conformational change in the crosslinker which is present at the same concentration in the three LSCEs.

  10. Dislocation

    Science.gov (United States)

    ... forcefully on a body part, such as your hip or shoulder. Heredity. Some people are born with ligaments that are looser and more prone to injury ... accidents. These are the most common cause of hip dislocations, especially for people ... the muscles, ligaments and tendons that reinforce the injured joint Nerve ...

  11. 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

  12. 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.

  13. Variation of low temperature internal friction of microplastic deformation of high purity molybdenum single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pal-Val, P.P. (AN Ukrainskoj SSR, Kharkov. Fiziko-Tekhnicheskij Inst. Nizkikh Temperatur); Kaufmann, H.J. (Akademie der Wissenschaften der DDR, Berlin)

    1984-08-01

    Amplitude and temperature spectra of ultrasound absorption in weakly deformed high purity molybdenum single crystals of different orientations were measured. The results were discussed in terms of parameter changes related to quasiparticle or dislocation oscillations, respectively, dislocation point defect interactions as well as defect generation at microplastic deformation.

  14. 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.

  15. High temperature dislocation processes in precipitation hardened crystals investigated by a 3D discrete dislocation dynamics

    Czech Academy of Sciences Publication Activity Database

    Záležák, Tomáš; Svoboda, Jiří; Dlouhý, Antonín

    2017-01-01

    Roč. 97, OCT (2017), s. 1-23 ISSN 0749-6419 R&D Projects: GA ČR(CZ) GA14-22834S; GA ČR(CZ) GA202/09/2073; GA ČR(CZ) GD106/09/H035; GA MŠk(CZ) EE2.3.20.0214; GA MŠk OC 162 EU Projects: European Commission(XE) 309916 - Z-ULTRA Institutional support: RVO:68081723 Keywords : 3D discrete dislocation dynamics * Dislocations * Strengthening mechanisms * Low angle grain boundaries * Particulate reinforced material Subject RIV: JI - Composite Materials OBOR OECD: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics Impact factor: 5.702, year: 2016

  16. 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.)

  17. 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.

  18. 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)

  19. A dislocation-based crystal viscoplasticity model with application to micro-engineered plasma-facing materials

    International Nuclear Information System (INIS)

    Rivera, David; Huang, Yue; Po, Giacomo; Ghoniem, Nasr M.

    2017-01-01

    Materials developed with special surface architecture are shown here to be more resilient to the transient thermomechanical environments imposed by intermittent exposures to high heat flux thermal loading typical of long-pulse plasma transients. In an accompanying article, we present experimental results that show the relaxation of residual thermal stresses in micro-engineered W surfaces. A dislocation-based model is extended here within the framework of large deformation crystal plasticity. The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces composed of a uniform density of micro-pillars. The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. Residual stresses generated by cyclic thermomechanical loading of these architectures show that the surface can be in a compressive stress state, following a short shakedown plasma exposure, thus mitigating surface fracture. - • Materials developed with special surface architecture are shown to be more resilient to the transient thermomechanical plasma transients. • A dislocation-based model is extended within the framework of large deformation crystal plasticity. • The model is applied to the deformation of single crystals, polycrystals, and micro-engineered surfaces. • The model is utilized to design tapered surface micro-pillar architecture, composed of a Re core and W coatings. • Residual stresses generated by cyclic thermomechanical loading show that the surface can be in a compressive stress state, thus mitigating surface fracture.

  20. 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.

  1. 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.

  2. Observation of dislocations in crystals using X-ray and electron transmission

    International Nuclear Information System (INIS)

    Morlevat, J.P.

    1965-10-01

    Two approaches of the dynamical theory of diffraction (EWALD's and AUTHIER's) are recalled briefly. In the light of these theories, one then considers what information concerning the dislocations existing in a crystal can be obtained by X-Ray as well as electron diffraction. (author) [fr

  3. Control of dislocation morphology and lattice distortion in Na-flux GaN crystals

    Science.gov (United States)

    Takeuchi, S.; Mizuta, Y.; Imanishi, M.; Imade, M.; Mori, Y.; Sumitani, K.; Imai, Y.; Kimura, S.; Sakai, A.

    2017-09-01

    The dislocation morphology and lattice distortion, including the tilting and twisting of lattice planes, at the Na-flux GaN/seed-GaN interface were investigated using transmission electron microscopy (TEM) and position-dependent nanobeam X-ray diffraction (nanoXRD). The results revealed that the dislocation morphology and lattice distortion in Na-flux GaN at the initial growth stage are strongly influenced by the seed-GaN surface morphology and the growth mode of Na-flux GaN. From the TEM results, one can observe that the formation of dislocation-related etch pits (DREPs) on the seed-GaN surface and the three-dimensional (3D) growth mode for Na-flux GaN give rise to the bending and lateral propagation of dislocations penetrating from the seed-GaN to the Na-flux GaN. This simultaneously results in homogenization of the GaN crystal domain structure as confirmed by nanoXRD. The mechanism responsible for the bending and lateral propagation of dislocations by the formation of DREPs and the 3D growth mode for the Na-flux GaN and the correlation between the dislocation morphology and the lattice distortion are discussed on the basis of TEM and nanoXRD results.

  4. 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)

  5. Plastic deformation of crystals: analytical and computer simulation studies of dislocation glide

    Energy Technology Data Exchange (ETDEWEB)

    Altintas, S.

    1978-05-01

    The plastic deformation of crystals is usually accomplished through the motion of dislocations. The glide of a dislocation is impelled by the applied stress and opposed by microstructural defects such as point defects, voids, precipitates and other dislocations. The planar glide of a dislocation through randomly distributed obstacles is considered. The objective of the present research work is to calculate the critical resolved shear stress (CRSS) for athermal glide and the velocity of the dislocation at finite temperature as a function of the applied stress and the nature and strength of the obstacles. Dislocation glide through mixtures of obstacles has been studied analytically and by computer simulation. Arrays containing two kinds of obstacles as well as square distribution of obstacle strengths are considered. The critical resolved shear stress for an array containing obstacles with a given distribution of strengths is calculated using the sum of the quadratic mean of the stresses for the individual obstacles and is found to be in good agreement with the computer simulation data. Computer simulation of dislocation glide through randomly distributed obstacles containing up to 10/sup 6/ obstacles show that the CRSS decreases as the size of the array increases and approaches a limiting value. Histograms of forces and of segment lengths are obtained and compared with theoretical predictions. Effects of array shape and boundary conditions on the dislocation glide are also studied. Analytical and computer simulation results are compared with experimental results obtained on precipitation-, irradiation-, forest-, and impurity cluster-hardening systems and are found to be in good agreement.

  6. Plastic deformation of crystals: analytical and computer simulation studies of dislocation glide

    International Nuclear Information System (INIS)

    Altintas, S.

    1978-05-01

    The plastic deformation of crystals is usually accomplished through the motion of dislocations. The glide of a dislocation is impelled by the applied stress and opposed by microstructural defects such as point defects, voids, precipitates and other dislocations. The planar glide of a dislocation through randomly distributed obstacles is considered. The objective of the present research work is to calculate the critical resolved shear stress (CRSS) for athermal glide and the velocity of the dislocation at finite temperature as a function of the applied stress and the nature and strength of the obstacles. Dislocation glide through mixtures of obstacles has been studied analytically and by computer simulation. Arrays containing two kinds of obstacles as well as square distribution of obstacle strengths are considered. The critical resolved shear stress for an array containing obstacles with a given distribution of strengths is calculated using the sum of the quadratic mean of the stresses for the individual obstacles and is found to be in good agreement with the computer simulation data. Computer simulation of dislocation glide through randomly distributed obstacles containing up to 10 6 obstacles show that the CRSS decreases as the size of the array increases and approaches a limiting value. Histograms of forces and of segment lengths are obtained and compared with theoretical predictions. Effects of array shape and boundary conditions on the dislocation glide are also studied. Analytical and computer simulation results are compared with experimental results obtained on precipitation-, irradiation-, forest-, and impurity cluster-hardening systems and are found to be in good agreement

  7. 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.)

  8. Athermal mechanisms of size-dependent crystal flow gleaned from three-dimensional discrete dislocation simulations

    International Nuclear Information System (INIS)

    Rao, S.I.; Dimiduk, D.M.; Parthasarathy, T.A.; Uchic, M.D.; Tang, M.; Woodward, C.

    2008-01-01

    Recent experimental studies have revealed that micrometer-scale face-centered cubic (fcc) crystals show strong strengthening effects, even at high initial dislocation densities. We use large-scale three-dimensional discrete dislocation simulations (DDS) to explicitly model the deformation behavior of fcc Ni microcrystals in the size range of 0.5-20 μm. This study shows that two size-sensitive athermal hardening processes, beyond forest hardening, are sufficient to develop the dimensional scaling of the flow stress, stochastic stress variation, flow intermittency and high initial strain-hardening rates, similar to experimental observations for various materials. One mechanism, source-truncation hardening, is especially potent in micrometer-scale volumes. A second mechanism, termed exhaustion hardening, results from a breakdown of the mean-field conditions for forest hardening in small volumes, thus biasing the statistics of ordinary dislocation processes

  9. Stress field of a near-surface basal screw dislocation in elastically anisotropic hexagonal crystals

    Directory of Open Access Journals (Sweden)

    Valeri S. Harutyunyan

    2017-11-01

    Full Text Available In this study, we derive and analyze the analytical expressions for stress components of the dislocation elastic field induced by a near-surface basal screw dislocation in a semi-infinite elastically anisotropic material with hexagonal crystal lattice. The variation of above stress components depending on “free surface–dislocation” distance (i.e., free surface effect is studied by means of plotting the stress distribution maps for elastically anisotropic crystals of GaN and TiB2 that exhibit different degrees of elastic anisotropy. The dependence both of the image force on a screw dislocation and the force of interaction between two neighboring basal screw dislocations on the “free surface–dislocation” distance is analyzed as well. The influence of elastic anisotropy on the latter force is numerically analyzed for GaN and TiB2 and also for crystals of such highly elastically-anisotropic materials as Ti, Zn, Cd, and graphite. The comparatively stronger effect of the elastic anisotropy on dislocation-induced stress distribution quantified for TiB2 is attributed to the higher degree of elastic anisotropy of this compound in comparison to that of the GaN. For GaN and TiB2, the dislocation stress distribution maps are highly influenced by the free surface effect at “free surface–dislocation” distances roughly smaller than ≈15 and ≈50 nm, respectively. It is found that, for above indicated materials, the relative decrease of the force of interaction between near-surface screw dislocations due to free surface effect is in the order Ti > GaN > TiB2 > Zn > Cd > Graphite that results from increase of the specific shear anisotropy parameter in the reverse order Ti < GaN < TiB2 < Zn < Cd < Graphite. The results obtained in this study are also applicable to the case when a screw dislocation is situated in the “thin film–substrate” system at a (0001 basal interface between the film and substrate provided that the elastic constants

  10. 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.

  11. Effect of crystal structure peculiarities of ageing alloys on dislocation structure during active deformation

    International Nuclear Information System (INIS)

    Travina, N.T.; Nikitin, A.A.; Zimina, L.N.

    1980-01-01

    On coarse-grain polycrystal samples of commercial KhN67MVTYu (EhP202), Kh60MVTYu (EhP487) and KhN60MKVYu (EhI661) alloys, aged under various conditions, studied are mechnanical properties after active deformation by extension at room temperature and dislocation structure corresponding to these structural states. Crystal and dislocation structures have been studied using electron microscope. In the alloys with mode--rate (13-14 v.%) quantity of γ' phase (KhN67MVTYu and KhN60MVTYu) at the stage of coherent-conjugated bond of particles with matrix deformation runs mainly according to the mechanism of cutting particles by separate dislocations; at the break of coherent bond - by bending of particles according to the Orovan mechanism or by their cutting with clusters of dislocations. At high volume part of particles of γ'-phase (40 v%, KhN60MKVYu alloy) the Orovan mechanism does not manifest itself in any of studied states. In this alloy at this stage of the break of the γ'-phase coherent bond with matrix in the result of ordered position of particles along the directions in matrix formed are interlayers free from particles on which strain is being mainly developed. Dislocation structure is compared with mechanical properties of the alloys

  12. Twisted topological solitons and dislocations in a polymer crystal

    DEFF Research Database (Denmark)

    Savin, A. V.; Khalack, J. M.; Christiansen, Peter Leth

    2002-01-01

    of adjacent molecular chains in the polymer crystal). It is shown that some of these defects called "twisted topological solitons" can propagate with a stationary profile and velocity. To describe the dynamics of these solitons, a model that accounts for the three components of the molecular displacements...

  13. 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.)

  14. 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

  15. Sublimation growth of nonpolar AlN single crystals and defect characterization

    Energy Technology Data Exchange (ETDEWEB)

    Satoh, Issei; Arakawa, Satoshi; Tanizaki, Keisuke; Miyanaga, Michimasa; Yamamoto, Yoshiyuki [Sumitomo Electric Industries, Ltd., 1-1-1 Koyakita, Itami, Hyogo 664-0016 (Japan)

    2010-07-15

    Sublimation growth of nonpolar AlN single crystals was investigated. The crystals were prepared in two methods: By slicing along the m -plane from c -plane-grown thick crystals, and by heteroepitaxial growth on m -plane SiC substrates. Defects of the crystals were observed by high-resolution transmission electron microscope. Dislocation density in AlN/SiC (0001) decreased significantly at about 1.5 {mu}m above the interface, while stacking faults initiated from the interface toward the growth surface in AlN/SiC (1-100). With increasing crystal thickness, the dislocation density decreases up to 5 x 10{sup 4}/cm{sup 2} at the thickness of 10 mm. In the AlN single crystal grown on SiC (0001), it is noteworthy that the dislocations are localized around the AlN/SiC interface and that far fewer dislocations occur near the growth surface. High-crystallinity AlN thick single crystals could be grown on SiC (0001) substrates. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Screw dislocations in complex, low symmetry oxides: core structures, energetics, and impact on crystal growth.

    Science.gov (United States)

    Shahsavari, Rouzbeh; Chen, Lu

    2015-02-04

    Determining the atomic structure and the influence of defects on properties of low symmetry oxides have long been an engineering pursuit. Here, we focus on five thermodynamically reversible monoclinic and orthorhombic polymorphs of dicalcium silicates (Ca2SiO3)-a key cement constituent-as a model system and use atomistic simulations to unravel the interplay between the screw dislocation core energies, nonplanar core structures, and Peierls stresses along different crystallographic planes. Among different polymorphs, we found that the α polymorphs (α-C2S) has the largest Peierls stress, corresponding to the most brittle polymorph, which make it attractive for grinding processes. Interestingly, our analyses indicate that this polymorphs has the lowest dislocation core energy, making it ideal for reactivity and crystal growth. Generally, we identified the following order in terms of grinding efficiency based on screw dislocation analysis, α-C2S > αH-C2S > αL-C2S > β-C2S > γ-C2S, and the following order in term of reactivity, α -C2S > αL-C2S > γ-C2S > αH-C2S > β-C2S. This information, combined with other deformation-based mechanisms, such as twinning and edge dislocation, can provide crucial insights and guiding hypotheses for experimentalists to tune the cement grinding mechanisms and reactivity processes for an overall optimum solution with regard to both energy consumption and performance. Our findings significantly broaden the spectrum of strategies for leveraging both crystallographic directions and crystal symmetry to concurrently modulate mechanics and crystal growth processes within an identical chemical composition.

  17. Observation of dislocations in crystals using X-ray and electron transmission; Observation des dislocations dans les cristaux par transmission des rayons X et des electrons

    Energy Technology Data Exchange (ETDEWEB)

    Morlevat, J.P. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1965-10-01

    Two approaches of the dynamical theory of diffraction (EWALD's and AUTHIER's) are recalled briefly. In the light of these theories, one then considers what information concerning the dislocations existing in a crystal can be obtained by X-Ray as well as electron diffraction. (author) [French] Deux approches de la theorie dynamique de la diffraction, celle d'EWALD et celle d'AUTHIER, sont brievement rappelees. On examine ensuite, a la lumiere de ces theories, quelles informations relatives aux dislocations existant dans un cristal peuvent etre obtenues par diffraction des rayons X ainsi que des electrons. (auteur)

  18. In Situ TEM Study of Interaction between Dislocations and a Single Nanotwin under Nanoindentation.

    Science.gov (United States)

    Wang, Bo; Zhang, Zhenyu; Cui, Junfeng; Jiang, Nan; Lyu, Jilei; Chen, Guoxin; Wang, Jia; Liu, Zhiduo; Yu, Jinhong; Lin, Chengte; Ye, Fei; Guo, Dongming

    2017-09-06

    Nanotwinned (nt) materials exhibit excellent mechanical properties, and have been attracting much more attention of late. Nevertheless, the fundamental mechanism of interaction between dislocations and a single nanotwin is not understood. In this study, in situ transmission electron microscopy (TEM) nanoindentation is performed, on a specimen of a nickel (Ni) alloy containing a single nanotwin of 89 nm in thickness. The specimen is prepared using focused ion beam (FIB) technique from an nt surface, which is formed by a novel approach under indentation using a developed diamond panel with tips array. The stiffness of the specimen is ten times that of the pristine counterparts during loading. The ultrahigh stiffness is attributed to the generation of nanotwins and the impediment of the single twin to the dislocations. Two peak loads are induced by the activation of a new slip system and the penetration of dislocations over the single nanotwin, respectively. One slip band is parallel to the single nanotwin, indicating the slip of dislocations along the nanotwin. In situ TEM observation of nanoindentation reveals a new insight for the interaction between dislocations and a single nanotwin. This paves the way for design and preparation of high-performance nt surfaces of Ni alloys used for aircraft engines, gas turbines, turbocharger components, ducts, and absorbers.

  19. A physics-based framework for spall failure of single crystals

    Science.gov (United States)

    Nguyen, Thao; Luscher, D. J.; Wilkerson, Justin

    2017-06-01

    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. The resulting homogenized framework has been implemented into a commercially available finite element package, and a fairly extensive validation study against a suite of direct numerical simulations was carried out. The utility of the homogenized framework is further demonstrated through the mesoscale simulation of a polycrystal subject to dynamic loading. The simulations capture some key experimentally-observed features of damage localization along grain boundaries of particular misorientation.

  20. 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.

  1. Topological solitons and dislocations in two- and three-dimensional anisotropic crystals

    DEFF Research Database (Denmark)

    Christiansen, Peter Leth; Savin, A.V.; Zolotaryuk, Alexander

    1998-01-01

    is not considered as a given external spatially periodic force, but it is constructed in a self-consistent manner, such that any disturbance in one of the chains causes a violation of spatial periodicity in the adjacent chains of the crystal. Static and moving soliton (kink and antikink) solutions are found...... numerically in two-and three-dimensional anisotropic crystals. Bound states of kink-antikink and kink-kink; (antikink-antikink) pairs and their dynamical properties are studied. Arrays of soliton states are shown to form dislocations of the edge type and their deformation energy distribution on the crystal...... lattice is calculated. In finding the soliton profiles and energy distributions on the lattice, we apply the minimization scheme that has proven to be an effective numerical method for seeking solitary wave solutions in complex systems. The collision dynamics of the point defects are also investigated....

  2. Intermittent dislocation density fluctuations in crystal plasticity from a phase-field crystal model

    DEFF Research Database (Denmark)

    Tarp, Jens M.; Angheluta, Luiza; Mathiesen, Joachim

    2014-01-01

    . Dislocation number fluctuations exhibit a power-law spectral density 1/f2 at high frequencies f. The probability distribution of number fluctuations becomes bimodal at low driving rates corresponding to a scenario where low density of defects alternates at irregular times with high populations of defects. We...

  3. 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

  4. Rows of Dislocation Loops in Aluminium Irradiated by Aluminium Ions

    DEFF Research Database (Denmark)

    Henriksen, L.; Johansen, A.; Koch, J.

    1967-01-01

    Single-crystal aluminium specimens, irradiated with 50-keV aluminium ions, contain dislocation loops that are arranged in regular rows along <110 > directions. ©1967 The American Institute of Physics......Single-crystal aluminium specimens, irradiated with 50-keV aluminium ions, contain dislocation loops that are arranged in regular rows along directions. ©1967 The American Institute of Physics...

  5. 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.

  6. Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

    Directory of Open Access Journals (Sweden)

    V.M. Chernov

    2016-12-01

    Full Text Available The state of a low-temperature embrittlement (cold brittleness and dislocation mechanisms for formation of the temperature of a ductile-brittle transition and brittle fracture of metals (mono- and polycrystals with various crystal lattices (BCC, FCC, HCP are considered. The conditions for their formation connected with a stress-deformed state and strength (low temperature yield strength as well as the fracture breaking stress and mobility of dislocations in the top of a crack of the fractured metal are determined. These conditions can be met for BCC and some HCP metals in the initial state (without irradiation and after a low-temperature damaging (neutron irradiation. These conditions are not met for FCC and many HCP metals. In the process of the damaging (neutron irradiation such conditions are not met also and the state of low-temperature embrittlement of metals is absent (suppressed due to arising various radiation dynamic processes, which increase the mobility of dislocations and worsen the strength characteristics.

  7. 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.

  8. Exfoliation of Threading Dislocation-Free, Single-Crystalline, Ultrathin Gallium Nitride Nanomembranes

    KAUST Repository

    Elafandy, Rami T.

    2014-04-01

    Despite the recent progress in gallium nitride (GaN) growth technology, the excessively high threading dislocation (TD) density within the GaN crystal, caused by the reliance on heterogeneous substrates, impedes the development of high-efficiency, low-cost, GaN-based heterostructure devices. For the first time, the chemical exfoliation of completely TD-free, single-crystalline, ultrathin (tens of nanometers) GaN nanomembranes is demonstrated using UV-assisted electroless chemical etching. These nanomembranes can act as seeding layers for subsequent overgrowth of high-quality GaN. A model is proposed, based on scanning and transmission electron microscopy as well as optical measurements to explain the physical processes behind the formation of the GaN nanomembranes. These novel nanomembranes, once transferred to other substrates, present a unique and technologically attractive path towards integrating high-efficiency GaN optical components along with silicon electronics. Interestingly, due to their nanoscale thickness and macroscopic sizes, these nanomembranes may enable the production of flexible GaN-based optoelectronics. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Single-component revisions are associated with dislocation after revision total hip arthroplasty at intermediate-term follow-up.

    Science.gov (United States)

    Stedman, Roman C; Lim, Daniel; Husain, Adeel; Courtney, Paul M; Nelson, Charles L

    2016-05-16

    Dislocation is the most frequent complication following revision total hip arthroplasty (THA). Although several risk factors for dislocation in revision THA have been described, many cannot be modified at the time of surgery. Identifying modifiable risk factors for subsequent dislocation after revision THA provides opportunity for orthopedic surgeons to decrease instability. A retrospective analysis of 203 consecutive revision THA procedures performed by a single surgeon with a minimum 2-year follow-up between May 2003 and June 2012 was performed. 2 (1.0%) died and 14 (6.9%) were lost to follow-up leaving 187 (92%) revision procedures in 123 men and 64 women. Univariate and multivariate logistic regression was used to identify risk factors for dislocation. 9 (4.8%) of all patients reviewed experienced a dislocation episode. Of those, 8 (89%) had a single component revised, 6 (67%) were women, and 4 (44%) had a history of recurrent dislocation. 2 of 14 (14%) patients with a constrained liner dislocated. Univariate analysis demonstrated that single-component revisions were at higher risk for dislocation after the surgery (p value = 0.033). Identifying modifiable risk factors for dislocation after revision THA provide opportunity to decrease rates of instability. Based on our data, single-component revision THA is a risk factor for subsequent dislocation.

  10. High-temperature and low-stress creep anisotropy of single-crystal superalloys

    Czech Academy of Sciences Publication Activity Database

    Jacome, L. A.; Nortershauser, P.; Heyer, J. K.; Lahni, A.; Frenzel, J.; Dlouhý, Antonín; Somsen, C.; Eggeler, G.

    2013-01-01

    Roč. 61, č. 8 (2013), s. 2926-2943 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA202/09/2073 Institutional support: RVO:68081723 Keywords : superalloy single crystals * creep anisotropy * rafting * dislocations * deformation mechanisms Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.940, year: 2013

  11. Ledges and grooves at γ/γ′ interfaces of single crystal superalloys

    Czech Academy of Sciences Publication Activity Database

    Parsa, A. B.; Wollgramm, P.; Buck, H.; Kostka, A.; Somsen, C.; Dlouhý, Antonín; Eggeler, G.

    2015-01-01

    Roč. 90, MAY (2015), s. 105-117 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA14-22834S Institutional support: RVO:68081723 Keywords : Ni-base single crystal superalloys * γ/γ′ interfaces * Interface dislocations * Rafting * Grooves Subject RIV: JG - Metallurgy Impact factor: 5.058, year: 2015

  12. 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

  13. 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

  14. Structural Characterization of Doped GaSb Single Crystals by X-ray Topography

    Energy Technology Data Exchange (ETDEWEB)

    Honnicke, M.G.; Mazzaro, I.; Manica, J.; Benine, E.; M da Costa, E.; Dedavid, B. A.; Cusatis, C.; Huang, X. R.

    2009-09-13

    We characterized GaSb single crystals containing different dopants (Al, Cd and Te), grown by the Czochralski method, by x-ray topography and high angular resolution x-ray diffraction. Lang topography revealed dislocations parallel and perpendicular to the crystal's surface. Double-crystal GaSb 333 x-ray topography shows dislocations and vertical stripes than can be associated with circular growth bands. We compared our high-angular resolution x-ray diffraction measurements (rocking curves) with the findings predicted by the dynamical theory of x-ray diffraction. These measurements show that our GaSb single crystals have a relative variation in the lattice parameter ({Delta}d/d) on the order of 10{sup -5}. This means that they can be used as electronic devices (detectors, for example) and as x-ray monochromators.

  15. 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)

  16. Subsurface defects structural evolution in nano-cutting of single crystal copper

    International Nuclear Information System (INIS)

    Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Sun, Yazhou; Guo, Yongbo; Liang, Yingchun

    2015-01-01

    Highlights: • An innovative analysis method is adopted to analyze nano-cutting process accurately. • A characteristic SFT and stair-rod dislocation are found in subsurface defect layer. • The formation mechanism of stair-rod dislocation is investigated. • The local atomic structure of subsurface defects is introduced. - Abstract: In this work, molecular dynamics simulation is performed to study the subsurface defects structural distribution and its evolution during nano-cutting process of single crystal copper. The formation mechanism of chip and machined surface is interviewed by analyzing the dislocation evolution and atomic migration. The centro-symmetry parameter and spherical harmonics method are adopted to characterize the distribution and evolution of the subsurface defect structures and local atomic structures. The results show that stacking faults, dislocation loops, “V-shaped” dislocation loops, and plenty of point defects are formed during the machined surface being formed in shear-slip zone. In subsurface damage layers, stair-rod dislocation, stacking fault tetrahedra, atomic cluster defect, and vacancy defect are formed. And the formation mechanism of stair-rod dislocation is investigated by atomic-scale structure evolution. The local atomic structures of subsurface defects are icosahedrons, hexagonal close packed, body-centered cubic, and defect face center cubic, and the variations of local atomic structures are investigated

  17. Effects of microscopic boundary conditions on plastic deformations of small-sized single crystals

    DEFF Research Database (Denmark)

    Kuroda, Mitsutoshi; Tvergaard, Viggo

    2009-01-01

    The finite deformation version of the higher-order gradient crystal plasticity model proposed by the authors is applied to solve plane strain boundary value problems, in order to obtain an understanding of the effect of the higher-order boundary conditions. Numerical solutions are carried out...... for uniaxial plane strain compression of a single crystal block and for uniform pure bending of a single crystal foil. The compressed block has loading surfaces that are penetrable or impenetrable to dislocations. This allows for a study of the two types of higher-order boundaries available, and a significant...

  18. Configuration of a smectic A liquid crystal due to an isolated edge dislocation.

    Science.gov (United States)

    Snow, B C; Stewart, I W

    2017-05-17

    We discuss the static configuration of a smectic A liquid crystal subject to an edge dislocation under the assumption that the director and layer normal fields ([Formula: see text] and [Formula: see text], respectively) defining the smectic arrangement are not, in general, equivalent. After constructing the free energy for the smectic, we obtain exact solutions to the equilibrium equations which result from its minimisation at quadratic order in the variables which describe the distortion, and hence a complete description of the smectic configuration across the domain of the sample. We also examine the effect of relaxing the constraint [Formula: see text] for different values of the constants which characterise the response of the material to distortions, and compare these results with the 'classical' case considered by previous authors, in which equivalence of [Formula: see text] and [Formula: see text] is enforced.

  19. 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.

  20. 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.

  1. Translation effects on vertical Bridgman growth and optical, mechanical and surface analysis of 2-phenylphenol single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Sadhasivam, S., E-mail: sadha.phy1@gmail.com [Department of Physics, Center for Crystal Growth, SSN College of Engineering, Tamil Nadu, India-603 110 (India); Perumal, Rajesh Narayana

    2016-05-06

    2-phenylphenol optical crystals were grown in cone ampoules using vertical Bridgman technique. Single crystal of 2-phenylphenol with 150 mm length has been grown. The inclination on the conical part of the ampoule reduces the growth defects in the 2-phenylphenol single crystal. The lattice parameters and structure studied using single crystal X-ray diffraction method. 2-phenylphenol single crystal belongs to orthorhombic space group Fdd2. The micro translation rate affects crystal growth of 2-phenylphenol crystal was studied. The translation rate dependent defects present in the crystal were investigated by transmittance, indentation and etching characterizations. The dislocation induced indentation crack lengths variations were studied. Etch pits and striations observed for the selective etchants furnish significant information on growth aspects and degree of defect present in the crystal.

  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. 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.

  4. 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.

  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. TEM investigation of irradiation damage in single crystal CeO2

    International Nuclear Information System (INIS)

    Ye Bei; Kirk, Mark A.; Chen, Weiying; Oaks, Aaron; Rest, Jeffery; Yacout, Abdellatif; Stubbins, James F.

    2011-01-01

    In order to understand the evolution of radiation damage in oxide nuclear fuel, 150-1000 keV Kr ions were implanted into single crystal CeO 2 , as a simulation of fluorite ceramic UO 2 , while in situ transmission electron microscopy (TEM) observations were carried out. Two characteristic defect structures were investigated: dislocation/dislocation loops and nano-size gas bubbles. The growth behavior of defect clusters induced by 1 MeV Kr ions up to doses of 5 x 10 15 ions/cm 2 were followed at 600 deg. C and 800 deg. C. TEM micrographs clearly show the development of defect structures: nucleation of dislocation loops, transformation to extended dislocation lines, and the formation of tangled dislocation networks. The difference in dislocation growth rates at 600 deg. C and 800 deg. C revealed the important role which Ce-vacancies play in the loop formation process. Bubble formation, studied through 150 keV Kr implantations at room temperature and 600 deg. C, might be influenced by either the mobility of metal-vacancies correlated with at threshold temperature or the limitation of gas solubility as a function of temperature.

  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. 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.

  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. 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. 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.

  12. Size dependence of energy storage and dissipation in a discrete dislocation plasticity analysis of static friction

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E; Deshpande, V.S.

    2005-01-01

    The initiation of frictional sliding between a flat-bottomed indenter and a planar single crystal substrate is analyzed using discrete dislocation plasticity. Plastic deformation is modeled through the motion of edge dislocations in an elastic solid with the lattice resistance to dislocation motion,

  13. 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

  14. Micromechanical approach of the fatigue behavior in a superplastic single crystal

    International Nuclear Information System (INIS)

    Patoor, E.; Siredey, N.; Eberhardt, A.; Berveiller, M.

    1995-01-01

    Mechanical cycling of superelastic alloys leads to significant change in their observed behavior. Critical stress needed to induce the martensitic transformation is reduced while the tangent transformation modulus is increased. Microstructural observations have shown that a mechanical cycling produced a strongly oriented pattern of dislocations. This dislocation network is associated to an internal stress field. It seems reasonable to relate this internal stress field to the observed evolution of the mechanical response. This is phenomenologically performed in this work considering the thermodynamical potential associated to the martensitic transformation of a single crystal of parent phase in presence of a microstructure of defects. Evolutions of the microstructural state are defined using the volume fraction associated to the variant of martensite and additional volume fractions of defects related to the dislocation pattern. Results such obtained well-captured experimental observations. (orig.)

  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. Defects of diamond single crystal grown under high temperature and high pressure

    Energy Technology Data Exchange (ETDEWEB)

    Su, Qingcai, E-mail: suqc@sdu.edu.cn [Key Laboratory of Liquid Structure and Heredity of Materials (Ministry of Education), Shandong University, Jinan, P. R. China, 250061 (China); School of Materials Science and Engineering, Shandong University, Jinan, P. R. China, 250061 (China); Shandong Engineering Research Center for Superhard Materials, Zoucheng, P. R. China 273500 (China); Zhang, Jianhua [School of Mechanical Engineering, Shandong University, Jinan, P. R. China, 250061 (China); Li, Musen [Key Laboratory of Liquid Structure and Heredity of Materials (Ministry of Education), Shandong University, Jinan, P. R. China, 250061 (China); School of Materials Science and Engineering, Shandong University, Jinan, P. R. China, 250061 (China); Shandong Engineering Research Center for Superhard Materials, Zoucheng, P. R. China 273500 (China)

    2013-11-01

    The diamond single crystal, synthesized with Fe–Ni–C–B system of catalyst under high temperature and high pressure, had been observed by field emission scanning electron microscope and transmission electron microscope. The presence of a cellular structure suggested that the diamond grew from melted catalyst solution and there existed a zone of component supercooling zone in front of the solid–liquid interface. The main impurities in the diamond crystal was (FeNi){sub 23}C{sub 6}. The triangle screw pit revealed on the (111) plane was generated by the screw dislocation meeting the diamond (111) plane at the points of emergence of dislocations. A narrow twin plane was formed between the two (111) plane. - Highlights: • High pressure, high temperature synthesis of diamond single crystal. • Fe–Ni–C–B used as catalyst, graphite as carbon source. • The main impurity in the diamond crystal was (FeNi){sub 23}C{sub 6}. • Surface defects arose from screw dislocations and stacking faults.

  17. Role of fluttering dislocations in the thermal interface resistance between a silicon crystal and plastic solid 4He

    Science.gov (United States)

    Amrit, Jay; Ramiere, Aymeric; Volz, Sebastian

    2018-01-01

    A quantum solid (solid 4He) in contact with a classical solid defines a new class of interfaces. In addition to its quantum nature, solid 4He is indeed a very plastic medium. We examine the thermal interface resistance upon solidification of superfluid 4He in contact with a silicon crystal surface (111) and show that dislocations play a crucial role in the thermal interface transport. The growth of solid 4He and the measurements are conducted at the minimum of the melting curve of helium (0.778 K and ˜25 bar ). The results display a first-order transition in the Kapitza resistance from a value of RK ,L=(80 ±8 ) c m2K /W at a pressure of 24.5 bar to a value of RK ,S=(41.7 ±8 ) c m2K /W after the formation of solid helium at ˜25.2 bar . The drop in RK ,S is only of a factor of ˜2 , although transverse phonon modes in solid 4He now participate in heat transmission at the interface. We provide an explanation for the measured RK ,S by considering the interaction of thermal phonons with vibrating dislocations in solid 4He. We demonstrate that this mechanism, also called fluttering, induces a thermal resistance RF l∝NdT-6 , where T is the temperature and Nd is the density of dislocations. We estimate that for dislocation densities on the order of ˜107c m-2 , RF l predominates over the boundary resistance RK ,S. These fundamental findings shed light on the role of dislocations and provide a quantitative explanation for previous experiments which showed no measurable change in the Kapitza resistance between Cu and superfluid 4He upon solidification of the latter. This demonstrates the possibility of using dislocations as an additional means to tailor thermal resistances at interfaces, formed especially with a plastic material.

  18. Plastic deformation of submicron-sized crystals studied by in-situ Kikuchi diffraction and dislocation imaging

    DEFF Research Database (Denmark)

    Zhang, Xiaodan; Godfrey, Andrew; Winther, Grethe

    2012-01-01

    approx. 500×250×200 nm3 with the compression axis oriented 1.6° from [110]. Local crystallographic orientations have been determined with high accuracy using a Kikuchi diffraction method and glide of dislocations over a pillar has also been observed directly by dark field imaging. The variation...... was observed in two of three crystals examined, and for all crystals the direction of rotation during deformation is in agreement with slip taking place on a subset of the four slip systems, with the highest Schmid factors on the (111) and (−1–11) slip planes. A diffraction-based Burgers vector analysis...

  19. 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.

  20. Stability and motion of low angle dislocation boundaries in precipitation hardened crystals

    Czech Academy of Sciences Publication Activity Database

    Holec, David; Dlouhý, Antonín

    2005-01-01

    Roč. 482, - (2005), s. 159-162 ISSN 0255-5476 Institutional research plan: CEZ:AV0Z20410507 Keywords : Low angle dislocation boundary * precipitation hardening * dislocation motion Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.399, year: 2005

  1. Free energy and structure of dislocation cores in two-dimensional crystals

    NARCIS (Netherlands)

    Bladon, P.B.; Frenkel, D.

    2004-01-01

    The nature of the melting transition in two dimensions is critically dependent on the core energy of dislocations. In this paper, we report calculations of the core free energy and the core size of dislocations in two-dimensional solids of systems interacting via square well, hard disk, and r-12

  2. Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements

    Czech Academy of Sciences Publication Activity Database

    Gröger, Roman; Vítek, V.

    2015-01-01

    Roč. 643, SEP (2015), s. 203-210 ISSN 0921-5093 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : Screw dislocation * BCC metal * Dislocation pathway Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.647, year: 2015

  3. 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.

  4. 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.

  5. 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 ...

  6. 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.

  7. 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.)

  8. Investigation on defects in the high temperature inorganic scintillation single crystals of Ce:YAlO sub 3

    CERN Document Server

    Zhao Guang Jun; He Xiao Ming; Xu Jun; Tian Yu Lian; Huang Wan Xia

    2002-01-01

    The defects in Ce:YAlO sub 3 single crystals grown by Czochralski method were investigated by transmission white beam synchrotron radiation topography method. It was shown in experiments that the growth striations, inclusions precipitations, twins, core and dislocation group were the main growth defects in Ce:YAP single crystals. The mechanism of the defects formation was also discussed. The results showed that the doped concentration, purity of starting materials and growth conditions are the main causes for defects formation in Ce:YAP single crystals

  9. 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

  10. Dislocations in single hemp fibres-investigations into the relationship of structural distortions and tensile properties at the cell wall level

    DEFF Research Database (Denmark)

    Thygesen, Lisbeth Garbrecht; Eder, M.; Burgert, I.

    2007-01-01

    The relationship between dislocations and mechanical properties of single hemp fibres (Cannabis sativa L. var. Felina) was studied using a microtensile testing setup in a 2-fold approach. In a first investigation the percentage of dislocations was quantified using polarized light microscopy (PLM......) prior to microtensile testing of the fibres. In a second approach PLM was used to monitor the dislocations while straining single fibres. The first part of the study comprised 53 hemp fibres with up to 20% of their cell wall consisting of dislocations. For this data set the percentage of dislocations...

  11. Static Dislocation Interactions in Thin Channels between Cuboidal Particles

    Czech Academy of Sciences Publication Activity Database

    Dlouhý, Antonín; Probst-Hein, M.; Eggeler, G.

    309-310, - (2001), s. 278-282 ISSN 0921-5093. [Dislocations 2000. Gaithersburg, 19.06.2000-22.06.2000] R&D Projects: GA MŠk OC P3.50 Institutional research plan: CEZ:AV0Z2041904 Keywords : discrete dislocation modeling * single crystal superalloys * .gamma./.gamma.'-interface dislocations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.978, year: 2001

  12. Choice of scalar measure for crystal curvature to image dislocation substructure in terms of discrete orientation data

    Science.gov (United States)

    Zisman, Alexander

    2016-04-01

    Starting from Nye's tensor, alternative characteristics of crystal curvature indicative of dislocation content are considered subject to very low thickness of investigated matter under the free surface and discreteness of orientation sampling. Analysis within the framework of continuum mechanics, undertaken to allow for such conditions peculiar to the electron backscatter diffraction (EBSD) technique, has shown the variable part of orientations expressed in a vector form to be most sensitive to lattice defects when projected to the free surface plane. Hence, as verified with EBSD data on a grain junction in a low deformed IF steel, magnitude of the projected field allows one to map plastic strains inhomogeneous within grains whereas divergence of this field distinctly images and quantifies low-angle dislocation boundaries formed at low strains.

  13. 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.

  14. 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 ...

  15. 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...

  16. 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 ...

  17. 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 ...

  18. 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...

  19. 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 =

  20. 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

  1. 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

  2. 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.

  3. Morphological and mechanical characterization of composite calcite/SWCNT-COOH single crystals.

    Science.gov (United States)

    Calvaresi, Matteo; Falini, Giuseppe; Pasquini, Luca; Reggi, Michela; Fermani, Simona; Gazzadi, Gian Carlo; Frabboni, Stefano; Zerbetto, Francesco

    2013-08-07

    A growing number of classes of organic (macro)molecular materials have been trapped into inorganic crystalline hosts, such as calcite single crystals, without significantly disrupting their crystalline lattices. Inclusion of an organic phase plays a key role in enhancing the mechanical properties of the crystals, which are believed to share structural features with biogenic minerals. Here we report the synthesis and mechanical characterization of composite calcite/SWCNT-COOH single crystals. Once entrapped into the crystals SWCNT-COOH appeared both as aggregates of entangled bundles and nanoropes. Their observation was possible only after crystal etching, fracture or FIB (focused ion beam) cross-sectioning. SWCNT-COOHs occupied a small volume fraction and were randomly distributed into the host crystal. They did not strongly affect the crystal morphology. However, although the Young's modulus of composite calcite/SWCNT-COOH single crystals was similar to that of pure calcite their hardness increased by about 20%. Thus, SWCNT-COOHs provide an obstacle against the dislocation-mediated propagation of plastic deformation in the crystalline slip systems, in analogy with the well-known hardness increase in fiber-reinforced composites.

  4. Mechanisms of High Temperature/Low Stress Creep of Ni-Based Superalloy Single Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Michael J. Mills

    2009-03-05

    Cast nickel-based superalloys are used for blades in land-based, energy conversion and powerplant applications, as well as in aircraft gas turbines operating at temperatures up to 1100 C, where creep is one of the life-limiting factors. Creep of superalloy single crystals has been extensively studied over the last several decades. Surprisingly, only recently has work focused specifically on the dislocation mechanisms that govern high temperature and low stress creep. Nevertheless, the perpetual goal of better engine efficiency demands that the creep mechanisms operative in this regime be fully understood in order to develop alloys and microstructures with improved high temperature capability. At present, the micro-mechanisms controlling creep before and after rafting (the microstructure evolution typical of high temperature creep) has occurred have yet to be identified and modeled, particularly for [001] oriented single crystals. This crystal orientation is most interesting technologically since it exhibits the highest creep strength. The major goal of the program entitled ''Mechanisms of High Temperature/Low Stress Creep of Ni-Based Superalloy Single Crystals'' (DOE Grant DE-FG02-04ER46137) has been to elucidate these creep mechanisms in cast nickel-based superalloys. We have utilized a combination of detailed microstructure and dislocation substructure analysis combined with the development of a novel phase-field model for microstructure evolution.

  5. 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...

  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. 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

  8. Structural characterization of metastable hcp-Ni thin films epitaxially grown on Au(100) single-crystal underlayers

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Tanaka, Takahiro; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    Ni(1120) epitaxial thin films with hcp structure were prepared on Au(100) single-crystal underlayers at 100 deg. C by ultra high vacuum molecular beam epitaxy. The detailed film structure is studied by in situ reflection high energy electron diffraction, x-ray diffraction, and transmission electron microscopy. The hcp-Ni film consists of two types of variants whose c-axes are rotated around the film normal by 90 deg. each other. An atomically sharp boundary is recognized between the film and the underlayer, where misfit dislocations are introduced. Presence of such dislocations seems to relieve the strain caused by the lattice mismatch between the film and the underlayer.

  9. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

    Organic electronics have engendered substantial interest in printable, flexible and large-area applications thanks to their low fabrication cost per unit area, chemical versatility and solution processability. Nevertheless, fundamental understanding of device physics and charge transport in organic semiconductors lag somewhat behind, partially due to ubiquitous defects and impurities in technologically useful organic thin films, formed either by vacuum deposition or solution process. In this context, single-crystalline organic semiconductors, or organic single crystals, have therefore provided the ideal system for transport studies. Organic single crystals are characterized by their high chemical purity and outstanding structural perfection, leading to significantly improved electrical properties compared with their thin-film counterparts. Importantly, the surfaces of the crystals are molecularly flat, an ideal condition for building field-effect transistors (FETs). Progress in organic single crystal FETs (SC-FETs) is tremendous during the past decade. Large mobilities ~ 1 - 10 cm2V-1s-1 have been achieved in several crystals, allowing a wide range of electrical, optical, mechanical, structural, and theoretical studies. Several challenges still remain, however, which are the motivation of this thesis. The first challenge is to delineate the crystal structure/electrical property relationship for development of high-performance organic semiconductors. This thesis demonstrates a full spectrum of studies spanning from chemical synthesis, single crystal structure determination, quantum-chemical calculation, SC-OFET fabrication, electrical measurement, photoelectron spectroscopy characterization and extensive device optimization in a series of new rubrene derivatives, motivated by the fact that rubrene is a benchmark semiconductor with record hole mobility ~ 20 cm2V-1s-1. With successful preservation of beneficial pi-stacking structures, these rubrene derivatives form

  10. Understanding Periodic Dislocations in 2D Supramolecular Crystals: The PFP/Ag(111) Interface

    DEFF Research Database (Denmark)

    Goiri, E.; García Lastra, Juan Maria; Corso, M.

    2012-01-01

    In-plane dislocation networks arise in both inorganic and organic films as a way of relieving the elastic strain that builds up at the substrate interface. In molecule/surface systems, supramolecular interactions are weak and more complex (compared to the atomic bonds in inorganic films), and the...

  11. 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.

  12. Characterization of Plastic Deformation Evolution in Single Crystal and Nanocrystalline Cu During Shock by Atomistic Simulations

    Science.gov (United States)

    Mirzaei Sichani, Mehrdad

    The objective of this dissertation is to characterize the evolution of plastic deformation mechanisms in single crystal and nanocrystalline Cu models during shock by atomistic simulations. Molecular dynamics (MD) simulations are performed for a range of particle velocities from 0.5 to 1.7 km/s and initial temperatures of 5, 300 and 600 K for single crystal models as well as particle velocities from 1.5 to 3.4 km/s for nanocrystalline models with grain diameters of 6, 11, 16 and 26 nm. For single crystal models, four different shock directions are selected, , , and , and dislocation density behind the shock wave front generally increases with increasing particle velocity for all shock orientations. Plastic relaxation for shock in the , and directions is primarily due to a reduction in the Shockley partial dislocation density. In contrast, plastic relaxation is limited for shock in the orientation. This is partially due to the emergence of sessile stair-rod dislocations with Burgers vectors of 1/3 and 1/6 due to the reaction of Shockley partial dislocations with twin boundaries and stacking fault intersections. For shock, FCC Cu is uniaxially compressed towards the BCC structure behind the shock wave front; this process is more favorable at higher shock pressures and temperatures. For particle velocities above 0.9 km/s, regions of HCP crystal structure nucleate from uniaxially compressed Cu. Free energy calculations proves that the nucleation and growth of these HCP clusters are an artifact of the embedded-atom interatomic potential. In addition, simulated x-ray diffraction line profiles are created for shock models of single crystal Cu at the Hugoniot state. Generally, peak broadening in the x-ray diffraction line profiles increases with increasing particle velocity. For nanocrystalline models, the compression of the FCC lattice towards the BCC structure is more apparent at particle velocity of 2.4 km/s, and at this particle velocity, the atomic percentage of BCC

  13. Creep substructure formation in sodium chloride single crystals in the power law and exponential creep regimes

    Science.gov (United States)

    Raj, S. V.; Pharr, G. M.

    1989-01-01

    Creep tests conducted on NaCl single crystals in the temperature range from 373 to 1023 K show that true steady state creep is obtained only above 873 K when the ratio of the applied stress to the shear modulus is less than or equal to 0.0001. Under other stress and temperature conditions, corresponding to both power law and exponential creep, the creep rate decreases monotonically with increasing strain. The transition from power law to exponential creep is shown to be associated with increases in the dislocation density, the cell boundary width, and the aspect ratio of the subgrains along the primary slip planes. The relation between dislocation structure and creep behavior is also assessed.

  14. 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.

  15. Ultra-small-angle x-ray scattering by single-crystal Al deformed in situ

    Science.gov (United States)

    Long, Gabrielle; Levine, Lyle

    1997-03-01

    Among the earliest small-angle x-ray scattering and small-angle neutron scattering experiments were attempts to study dislocation structures. These structures have proven to be very difficult to measure because of the intrinsically low contrast of the microstructure, and the requirement that multiple Bragg diffraction be strictly avoided. Thus, many attempts to measure dislocation structures have been compromised by these difficulties. We present results from ultra-small-angle x-ray scattering measurements on single-crystal Al, deformed in situ on beam line X23A3 at the National Synchrotron Light Source. Radiographic images, which are in the O-beam position for diffraction, were taken of the scattering volume. The Al crystal was also rotated to ensure that the scattering data would be accumulated in a region sufficiently distant from accidental Bragg diffractions. Stress-strain data were obtained simultaneously with the x-ray scattering data. We report on the evolution of dislocation structures from 0% strain to 18% strain.

  16. 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.

  17. Chemical vapor deposition of graphene single crystals.

    Science.gov (United States)

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

    2014-04-15

    As a two-dimensional (2D) sp(2)-bonded carbon allotrope, graphene has attracted enormous interest over the past decade due to its unique properties, such as ultrahigh electron mobility, uniform broadband optical absorption and high tensile strength. In the initial research, graphene was isolated from natural graphite, and limited to small sizes and low yields. Recently developed chemical vapor deposition (CVD) techniques have emerged as an important method for the scalable production of large-size and high-quality graphene for various applications. However, CVD-derived graphene is polycrystalline and demonstrates degraded properties induced by grain boundaries. Thus, the next critical step of graphene growth relies on the synthesis of large graphene single crystals. In this Account, we first discuss graphene grain boundaries and their influence on graphene's properties. Mechanical and electrical behaviors of CVD-derived polycrystalline graphene are greatly reduced when compared to that of exfoliated graphene. We then review four representative pathways of pretreating Cu substrates to make millimeter-sized monolayer graphene grains: electrochemical polishing and high-pressure annealing of Cu substrate, adding of additional Cu enclosures, melting and resolidfying Cu substrates, and oxygen-rich Cu substrates. Due to these pretreatments, the nucleation site density on Cu substrates is greatly reduced, resulting in hexagonal-shaped graphene grains that show increased grain domain size and comparable electrical properties as to exfoliated graphene. Also, the properties of graphene can be engineered by its shape, thickness and spatial structure. Thus, we further discuss recently developed methods of making graphene grains with special spatial structures, including snowflakes, six-lobed flowers, pyramids and hexagonal graphene onion rings. The fundamental growth mechanism and practical applications of these well-shaped graphene structures should be interesting topics and

  18. 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.)

  19. 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.

  20. 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.

  1. 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.

  2. 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)

  3. Growth of Bi 12SiO 20 single crystals by the pulling-down method with continuous feeding

    Science.gov (United States)

    Maida, Shigeru; Higuchi, Mikio; Kodaira, Kohei

    1999-09-01

    Bi 12SiO 20 single crystals were successfully grown by the pulling-down method with continuous feeding. As-grown crystals were amber in color and transparent, and had no cracks or inclusions. A crystal with homogeneous composition was obtained from Bi-rich feed powder having a composition of 14.1 mol% SiO 2, whereas precipitates of Bi 4Si 3O 12 were observed on the surface of a crystal grown with stoichiometric powder. The shape of the solid-liquid interface during the crystal growth was estimated to be almost flat, which was favorable to avoid core formation. Average dislocation density was 4×10 3/cm 2, which was comparable to that of Bi 12SiO 20 crystals grown by the Czochralski method.

  4. Dislocation Microstructures in Fatiqued Copper Polycrystals

    DEFF Research Database (Denmark)

    Winter, A.T.; Pedersen, Ole Bøcker; Rasmussen, K.V.

    1981-01-01

    Dislocation structures characteristic of persistent slip bands were observed in the interior of polycrystalline copper after fatigue. At low strain amplitudes, within the plateau on the cyclic stress-strain curve, only structures identical to those seen in single crystals were observed. This allows...

  5. Single crystal growth of pure and Nd-doped Y2O3 by flotating zone method with Xe arc lamp imaging furnace

    International Nuclear Information System (INIS)

    Tsuiki, H.; Kitazawa, K.; Fueki, K.; Masumoto, T.; Shiroki, K.

    1980-01-01

    Single crystals of undoped and Nd-doped yttrium oxide were grown by the floating zone method with a Xe arc lamp imaging furnace. The crystals were grown in the and directions. Transparent and subgrain-free single crystals were obtained at a growth rate of 30-60 mm/h for the undoped yttrium oxide. Facets of the cubic [100] and [211] were observed though the high temperature phase of the crystal is hexagonal. Dislocation densities of undoped yttrium oxide are given. (orig./WE)

  6. 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.

  7. 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

  8. 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.

  9. 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 ...

  10. 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.

  11. Effect of physicochemical factors on the microplasticity of the surface layer of molybdenum single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Savenko, V.I.; Kuchumova, V.M.; Kochanova, L.A.; Shchukin, E.D.

    1984-07-01

    The microplastic properties of the surface layer of molybdenum single crystals produced by electron-beam zone melting have been investigated experimentaly using ultramicrosclerometry and microindentation techniques. It is found that the 111 plane has the highest susceptibility to plastic damage, while the 100 plane is the hardest. An analysis of the stressed state of the material under an indenter shows that the dislocation density along the loading paths, which characterizes the microplasticity of the material, is largely determined by the crystallography of the lattice, i.e., by the arrangement and the number of effective slip systems in specimens of different orientations. The effect of a monolayer octadecylamine film on the microplastic behavior of molybdenum single crystals is discussed.

  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. Congenital Deficiency of Distal Ulna and Dislocation of the Radial Head Treated by Single Bone Forearm Procedure

    Directory of Open Access Journals (Sweden)

    Paragjyoti Gogoi

    2014-01-01

    Full Text Available Congenital deficiency of part of distal ulna affecting the distal radio-ulnar joint is a rare disorder. It is even rarer to find the association of proximal radio-ulnar joint dislocation along with distal ulnar deficiency. This type of congenital forearm anomaly is difficult to treat. Conversion to a single bone forearm in the expense of pronation-supination movement is a viable option. By doing so the elbow and wrist can be stabilized; however movement is possible in only one plane. We are describing here a girl of 8 years having proximal radio-ulnar joint dislocation along with deficiency of distal ulna treated by converting into a single bone forearm.

  14. On the existence of minimisers for strain-gradient single-crystal plasticity

    Science.gov (United States)

    Anguige, Keith; Dondl, Patrick; Kružík, Martin

    2018-03-01

    We prove the existence of minimisers for a family of models related to the single-slip-to-single-plane relaxation of single-crystal, strain-gradient elastoplasticity with $L^p$-hardening penalty. In these relaxed models, where only one slip-plane normal can be activated at each material point, the main challenge is to show that the energy of geometrically necessary dislocations is lower-semicontinuous along bounded-energy sequences which satisfy the single-plane condition, meaning precisely that this side condition should be preserved in the weak $L^p$-limit. This is done with the aid of an 'exclusion' lemma of Conti \\& Ortiz, which essentially allows one to put a lower bound on the dislocation energy at interfaces of (single-plane) slip patches, thus precluding fine phase-mixing in the limit. Furthermore, using div-curl techniques in the spirit of Mielke \\& M\\"uller, we are able to show that the usual multiplicative decomposition of the deformation gradient into plastic and elastic parts interacts with weak convergence and the single-plane constraint in such a way as to guarantee lower-semicontinuity of the (polyconvex) elastic energy, and hence the total elasto-plastic energy, given sufficient ($p>2$) hardening, thus delivering the desired result.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. Kink structures induced in nickel-based single crystal superalloys by high-Z element migration

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Fei; Zhang, Jianxin [Key Laboratory for Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Mao, Shengcheng [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology, Beijing 100124 (China); Jiang, Ying [Center of Electron Microscopy and State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Feng, Qiang [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China); State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Shen, Zhenju; Li, Jixue; Zhang, Ze [Center of Electron Microscopy and State Key Laboratory of Silicon Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Han, Xiaodong [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology, Beijing 100124 (China)

    2015-01-05

    Highlights: • Innovative kink structures generate at the γ/γ′ interfaces in the crept superalloy. • Clusters of heavy elements congregate at the apex of the kinks. • Dislocation core absorbs hexagonal structural high-Z elements. - Abstract: Here, we investigate a new type of kink structure that is found at γ/γ′ interfaces in nickel-based single crystal superalloys. We studied these structures at the atomic and elemental level using aberration corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). The core of the dislocation absorbs high-Z elements (i.e., Co and Re) that adopt hexagonal arrangements, and it extrudes elements (i.e., Ni and Al) that adopt face centered cubic (fcc) structures. High-Z elements (i.e., Ta and W) and Cr, which is a low-Z element, are stabilized in body centered cubic (bcc) arrangements; Cr tends to behave like Re. High-Z elements, which migrate and adopt a hexagonal structure, induce kink formation at γ/γ′ interfaces. This process must be analyzed to fully understand the kinetics and dynamics of creep in nickel-based single crystal superalloys.

  2. Ultrasonic Study of Dislocation Dynamics in Lithium -

    Science.gov (United States)

    Han, Myeong-Deok

    1987-09-01

    Experimental studies of dislocation dynamics in LiF single crystals, using ultrasonic techniques combined with dynamic loading, were performed to investigate the time evolution of the plastic deformation process under a short stress pulse at room temperature, and the temperature dependence of the dislocation damping mechanism in the temperature range 25 - 300(DEGREES)K. From the former, the time dependence of the ultrasonic attenuation was understood as resulting from dislocation multiplication followed by the evolution of mobile dislocations to immobile ones under large stress. From the latter, the temperature dependence of the ultrasonic attenuation was interpreted as due to the motion of the dislocation loops overcoming the periodic Peierls potential barrier in a manner analogous to the motion of a thermalized sine-Gordon chain under a small stress. The Peierls stress obtained from the experimental results by application of Seeger's relaxation model with exponential dislocation length distribution was 4.26MPa, which is consistent with the lowest stress for the linear relation between the dislocation velocity and stress observed by Flinn and Tinder.

  3. 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.

  4. 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...

  5. Pore annihilation in a single-crystal nickel-base superalloy during hot isostatic pressing: Experiment and modelling

    International Nuclear Information System (INIS)

    Epishin, Alexander; Fedelich, Bernard; Link, Thomas; Feldmann, Titus; Svetlov, Igor L.

    2013-01-01

    Pore annihilation during hot isostatic pressing (HIP) was investigated in the single-crystal nickel-base superalloy CMSX-4 experimentally by interrupted HIP tests at 1288 °C/103 MPa. The kinetics of pore annihilation was determined by density measurement and quantitative metallography. Transmission electron microscopy of a HIPed specimen showed that the pores shrink via dislocation movement on octahedral glide planes. Theoretically pore closure under HIP condition was modelled by the finite element method using crystal plasticity and large strain theories. The modelling gives a similar kinetics of pore annihilation as observed experimentally, however somewhat higher annihilation rate

  6. 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.

  7. 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)

  8. 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 ...

  9. 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 ...

  10. Drag of a Cottrell atmosphere by an edge dislocation in a smectic-A liquid crystal

    Czech Academy of Sciences Publication Activity Database

    Oswald, P.; Lejček, Lubor

    2017-01-01

    Roč. 40, č. 10 (2017), s. 84-93 ISSN 1292-8941 Institutional support: RVO:68378271 Keywords : soft matter * liquid crystal Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 1.464, year: 2016

  11. A statistical approach for measuring dislocations in 2D photonic crystals

    DEFF Research Database (Denmark)

    Malureanu, Radu; Frandsen, Lars Hagedorn

    2008-01-01

    In this paper, a comparison between the placement accuracy of lattice atoms in photonic crystal structures fabricated with different lithographic techniques is made. Using atomic force microscopy measurements and self-developed algorithms for calculating the holes position within less than 0.01nm...

  12. Synthesis and single crystal growth of perovskite semiconductor CsPbBr3

    Science.gov (United States)

    Zhang, Mingzhi; Zheng, Zhiping; Fu, Qiuyun; Chen, Zheng; He, Jianle; Zhang, Sen; Chen, Cheng; Luo, Wei

    2018-02-01

    As a typical representative of all-inorganic lead halide perovskites, cesium lead bromine (CsPbBr3) has attracted significant attention in recent years. The direct band gap semiconductor CsPbBr3 has a wide band gap of 2.25 eV and high average atomic number (Cs: 55, Pb: 82 and Br: 35), which meet most of the requirements for detection of X- and γ-ray radiation, such as high attenuation, high resistivity, and significant photoconductivity response. However, the growth of large volume CsPbBr3 single crystals remains a challenge. In this paper, the synthesis of CsPbBr3 polycrystalline powders by a chemical co-precipitation method was investigated and the optimum synthesis conditions were obtained. A large CsPbBr3 single crystal of 8 mm diameter and 60 mm length was obtained by a creative electronic dynamic gradient (EDG) method. X-ray diffraction (XRD) patterns and X-ray rocking curve showed that the CsPbBr3 crystal preferentially oriented in the (1 1 0) direction and had a low dislocation density and small residual stress in the crystal. The IR and UV-Vis transmittance and temperature-dependent photoluminescence (PL) spectra showed the crystal had a good basic optical performance. The almost linear current-voltage (I-V) curves implied good ohmic contact between the electrodes and crystal surfaces. The resistivity of the crystal was calculated 109-1010 Ω cm. The above results showed that the quality of the obtained crystal had met the demand of optoelectronic applications.

  13. 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)

  14. 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.

  15. 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.

  16. 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)

  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. 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)

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Stress-induced formation mechanism of stacking fault tetrahedra in nano-cutting of single crystal copper

    International Nuclear Information System (INIS)

    Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Guo, Yongbo; Xie, Wenkun

    2015-01-01

    Graphical abstract: In this paper, molecular dynamics simulation is performed to study the distribution of dislocation defects and local atomic crystal structure of single crystal copper. The stress distribution is investigated which is calculated by virial stress and analyzed by static pressure. The results are shown in (a)–(d). It is indicated that the compressive stress mainly spreads over the shear-slip zone, and the tensile stress is consisted in flank friction zone, shown in (a). The high tensile stress in subsurface is the source of stress, shown in (b). By the driven action of the stress source, the initial stair-rod dislocation nucleates. Then the dislocation climbs along four {1 1 1} planes under the stress driven action, shown in (d). Finally, the SFT is formed by the interaction of the compressive stress and the tensile stress which come from the shear-slip zone and friction zone, respectively. Besides, stair-rod dislocation, stacking faults and dislocation loop are also nucleated in the subsurface, shown in (c). Dislocation distribution, local atomic crystal structure state and stress-induced formation process of SFT by atomic. - Highlights: • A novel defect structure “stress-induced stacking fault tetrahedra” is revealed. • Atomic structural evolution and stress state distribution of the SFT are studied. • The stress-induced formation mechanism of the SFT is proposed. - Abstract: Stacking fault tetrahedra commonly existed in subsurface of deformed face center cubic metals, has great influence on machining precision and surface roughness in nano-cutting. Here we report, a stacking fault tetrahedra is formed in subsurface of workpiece during nano-cutting. The variation of cutting force and subsurface defects distribution are studied by using molecular dynamics simulation. The stress distribution is investigated which is calculated by virial stress and analyzed by static compression. The result shows that the cutting force has a rapidly

  4. 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.

  5. 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)

  6. 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.

  7. Synergistic effects on dislocation loops in reduced-activation martensitic steel investigated by single and sequential hydrogen/helium ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Weiping [Hubei Nuclear Solid Physics Key Laboratory, Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Luo, Fengfeng [Hubei Nuclear Solid Physics Key Laboratory, Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Institute of Applied Physics, Jiangxi Academy of Sciences, Nanchang 330029 (China); Yu, Yanxia; Zheng, Zhongcheng; Shen, Zhenyu [Hubei Nuclear Solid Physics Key Laboratory, Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Guo, Liping, E-mail: guolp@whu.edu.cn [Hubei Nuclear Solid Physics Key Laboratory, Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Ren, Yaoyao [Center for Electron Microscopy, Wuhan University, Wuhan 430072 (China); Suo, Jinping [State Key Laboratory of Mould Technology, Institute of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2016-10-15

    Single-beam and sequential-beam irradiations were performed to investigate the H/He synergistic effect on dislocation loops in reduced-activation ferritic/martensitic (RAFM) steels. The irradiations were carried out with 10 keV H{sup +}, 18 keV He{sup +} and 160 keV Ar{sup +}, alone and in combination at 723 K. He{sup +} single-beam irradiation induced much larger dislocation loops than that induced by both H{sup +} and Ar{sup +} single-beam irradiation. H{sup +} post-irradiation after He{sup +} irradiation further increased the size of dislocation loops, whilst He{sup +} post-irradiation or Ar{sup +} post-irradiation following H{sup +} irradiation only slightly increased the size of dislocation loops. The experiment results indicate that pre-implanted H{sup +} can drastically inhibit the growth while post-implanted H{sup +} can significantly enhance the growth of dislocation loops induced by He{sup +} irradiation. The mechanisms behind the complex synergistic phenomena between H and He and the different roles that H and He played in the growth of dislocation loops are discussed.

  8. "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.

  9. 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.

  10. 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.

  11. 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.

  12. Cyclic deformation of NI/sub 3/(Al,Nb) single crystals at ambient and elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Bonda, N.R.

    1985-01-01

    Cyclic tests were performed on Ni/sub 3/(Al,Nb) (..gamma..' phase) single crystals by using a servo-hydraulic machine under fully reversed plastic strain control at a frequency of 0.1-0.2 Hz at room temperature, 400/sup 0/C and 700/sup 0/C. Since the monotonic behavior is orientation dependent, three orientations were studied. Asymmetry in tensile and compressive stresses was observed in the cyclic hardening curves of specimens tested at these temperatures and they were discussed with regard to the model suggested by Paider et al for monotonic behavior. The stress levels in the cyclic stress-strain curves (CSSC) at room temperature depended on orientation and cyclic history. No CSSCs were established at 400/sup 0/C and 700/sup 0/C. The deformation in cyclic tests at small plastic strain amplitudes was found to be different from that in monotonic tests in the microplastic regions in which the deformation is believed to be carried by a small density of edge dislocations. But in cyclic deformation, to and from motion of dislocations trap the edge dislocations into dipoles and therefore screw dislocations will be forced to participate in the deformation. Cracks on the surfaces of specimens tested at room temperature and 400/sup 0/C were found to be of stage I type, whereas at 700/sup 0/C, they were of stage II type.

  13. Crystal growth and characterization of semi-organic 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals for third-order nonlinear optical (NLO) applications

    Science.gov (United States)

    Vediyappan, Sivasubramani; Arumugam, Raja; Pichan, Karuppasamy; Kasthuri, Ramachandran; Muthu, Senthil Pandian; Perumal, Ramasamy

    2017-12-01

    Semi-organic nonlinear optical (NLO) 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals have been grown by slow evaporation solution technique (SEST) with the growth period of 60 days. The single-crystal XRD analysis confirms the unit cell parameters of the grown crystal. The crystallinity of grown 2A5NPBr was analyzed by powder X-ray diffraction (PXRD) measurement. The presence of functional groups of 2A5NPBr crystal was confirmed by Fourier transform infrared (FTIR) spectrum analysis. The optical transmittance of the grown crystal was analyzed by UV-Vis-NIR analysis. It shows good transparency in the visible and NIR region and it is favorable for nonlinear optical (NLO) device applications. The chemical etching study was carried out and it reveals that the grown crystal has less dislocation density. The photoconductivity study reveals that the grown crystal possesses positive photoconductive nature. The thermal stability of the crystal has been investigated by thermogravimetric (TG) and differential thermal analysis (DTA). The dielectric constant and dielectric loss as a function of frequency were measured. The electronic polarizability (α) of 2A5NPBr molecule has been calculated theoretically by different ways such as Penn analysis, Clausius-Mossotti relation, Lorentz-Lorenz equation, optical bandgap, and coupled dipole method (CDM). The obtained values of electronic polarizability (α) are in good agreement with each other. Laser damage threshold (LDT) of 2A5NPBr crystal has been measured using Nd:YAG laser with the wavelength of 1064 nm. Third-order nonlinear optical property of the grown crystal was studied by Z-scan technique using He-Ne laser of wavelength 632.8 nm.

  14. 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.

  15. 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

    to H2O loss into the healed cracks. First observations of deformed samples show abundant deformation lamellae. With higher deformation the lamellae form conjugated zones of high dislocation density and undulatory extinction. Micro cracks are frequently connected to fluid inclusions. Recrystallized grains are rare in deformed samples because of the low strain acquired. In semi-brittle experiments at lower temperature and faster strain rates considerable recrystallization features are visible and clearly connected to initial brittle deformation features. We conclude that fluid inclusion rupture and fast crack healing at high temperatures are necessary for the redistribution of H2O and a prerequisite of ductile deformation. References: Griggs, D.T. & Balcic, J.D. 1965: Quartz: anomalous weakness of synthetic crystals. Science 147, 293-295. FitzGerald, J.D., Boland, J.N., McLaren, A.C., Ord, A., Hobbs, B.E. 1991: Microstructures in water-weakened single crystals of quartz. Journal of Geophysical Research Vol. 96 No. B2, 2139-2155 Kronenberg, A.K. & Tullis, J. 1984: Flow strength of quartz aggregates: grain size and pressure effects due to hydrolytic weakening. Journal of Geophysical Research Vol.89, No. B6, 4281-4297. Kronenberg, A.K., Kirby, S.H., Aines, R.D., Rossman G.R. 1986: Solubility and diffusional uptake of hydrogen in quartz at high water pressures: implication for hydrolytic weakening. Journal of Geophysical Research Vol.91, NO. B12, 12,723-12,744. Paterson, M.S.1989: The interaction of water with quartz and the influence in dislocation flow - an overview. In: S. Karato and M. Toriumi (Editors), Rheology of Solids and of the Earth. Oxford University Press, London, pp. 107-142.

  16. 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.

  17. 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...

  18. 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 ...

  19. 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 ...

  20. 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.

  1. 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...

  2. 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 ...

  3. The creep deformation behavior of a single-crystal Co–Al–W-base superalloy at 900 °C

    Energy Technology Data Exchange (ETDEWEB)

    Shi, L.; Yu, J.J., E-mail: jjyu@imr.ac.cn; Cui, C.Y.; Sun, X.F.

    2015-05-21

    The creep deformation behavior of a single-crystal Co–Al–W–Ni–Cr–Ta alloy with low tungsten content has been studied at stresses between 275 and 310 MPa at 900 °C. The alloy exhibits comparable creep strength with that of Co–Al–W-base alloys containing more tungsten. The creep deformation consists of three stages, the primary stage, the steady-state stage and the tertiary stage, when described by the creep strain rate versus time curve. At 900 °C, γ′ precipitates tend to raft along the direction of applied tensile stress in the steady-state creep stage and a topologically inverted and rafting γ/γ′ microstructure is formed in the tertiary stage. The main deformation mechanism in the primary creep stage is dislocation shearing of γ′ precipitates, and in the following creep stages, the dominant deformation mechanism is dislocations bypassing γ′ precipitates.

  4. The creep deformation behavior of a single-crystal Co–Al–W-base superalloy at 900 °C

    International Nuclear Information System (INIS)

    Shi, L.; Yu, J.J.; Cui, C.Y.; Sun, X.F.

    2015-01-01

    The creep deformation behavior of a single-crystal Co–Al–W–Ni–Cr–Ta alloy with low tungsten content has been studied at stresses between 275 and 310 MPa at 900 °C. The alloy exhibits comparable creep strength with that of Co–Al–W-base alloys containing more tungsten. The creep deformation consists of three stages, the primary stage, the steady-state stage and the tertiary stage, when described by the creep strain rate versus time curve. At 900 °C, γ′ precipitates tend to raft along the direction of applied tensile stress in the steady-state creep stage and a topologically inverted and rafting γ/γ′ microstructure is formed in the tertiary stage. The main deformation mechanism in the primary creep stage is dislocation shearing of γ′ precipitates, and in the following creep stages, the dominant deformation mechanism is dislocations bypassing γ′ precipitates

  5. Microstructure of Co(112-bar 0) epitaxial thin films, grown on MgO(100) single-crystal substrates

    International Nuclear Information System (INIS)

    Nukaga, Yuri; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-01-01

    Co(112-bar 0) epitaxial thin films with hcp structure were prepared on MgO(100) single-crystal substrates heated at 300 0 C by ultra high vacuum molecular beam epitaxy. The microstructure is investigated by employing X-ray diffraction and high-resolution transmission electron microscopy. The film consists of two types of domains whose c-axes are rotated around the film normal by 90 0 each other. Stacking faults are observed for the film along the Co[0001] direction. An atomically sharp boundary is recognized between the film and the substrate, where some misfit dislocations are introduced in the film at the Co/MgO interface. Dislocations are also observed in the film up to 15 nm thickness from the interface. Presence of such stacking faults and misfit dislocations seem to relieve the strain caused by the lattice mismatch between the film and the substrate. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of the film are in agreement within 0.5% and 0.1%, respectively, with those of the bulk hcp-Co crystal, suggesting the strain in the film is very small.

  6. 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.

  7. 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 ...

  8. 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.

  9. 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

  10. Temperature dependence of hardness in yttria-stabilized zirconia single crystals

    Science.gov (United States)

    Morscher, Gregory N.; Pirouz, Pirouz; Heuer, Arthur H.

    1991-01-01

    The temperature dependence of hardness and microcracking in single-crystal 9.5-mol pct-Y2O3-fully-stabilized cubic-ZrO2 was studied as a function of orientation. Crack lengths increased with increased temperature up to 500 C; above 800 C, no cracks were found, indicating an indentation brittle-to-ductile transition of about 800 C. The temperature dependence of hardness was reduced around 500 C. Etching studies to delineate the plastic zone around and below indents identified the operative slip systems. The role of dislocations and their interactions within the plastic zone on the hardness and indentation fracture behavior of cubic-ZrO2 are discussed.

  11. 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.

  12. Epitaxial growth of fcc-CoxNi100-x thin films on MgO(110) single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Nukaga, Yuri; Sato, Yoichi; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-01-01

    Co x Ni 100-x (x=100, 80, 20, 0 at. %) epitaxial thin films were prepared on MgO(110) single-crystal substrates heated at 300 deg. C by ultrahigh vacuum molecular beam epitaxy. The growth mechanism is discussed based on lattice strain and crystallographic defects. CoNi(110) single-crystal films with a fcc structure are obtained for all compositions. Co x Ni 100-x film growth follows the Volmer-Weber mode. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of the Co x Ni 100-x films are in agreement within ±0.5% with the values of the respective bulk Co x Ni 100-x crystals, suggesting that the strain in the film is very small. High-resolution cross-sectional transmission microscopy shows that an atomically sharp boundary is formed between a Co(110) fcc film and a MgO(110) substrate, where periodical misfit dislocations are preferentially introduced in the film at the Co/MgO interface. The presence of such periodical misfit dislocations relieves the strain caused by the lattice mismatch between the film and the substrate.

  13. 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.

  14. 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

  15. 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

  16. 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.

  17. Temperature dependence of deformation behavior in a Co–Al–W-base single crystal superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Shi, L.; Yu, J.J., E-mail: jjyu@imr.ac.cn; Cui, C.Y.; Sun, X.F.

    2015-01-03

    Tensile properties of a single-crystal Co–Al–W–Ni–Cr–Ta alloy with low tungsten content have been studied within the temperatures ranging from 20 to 1000 °C at a constant strain rate of 1.0×10{sup −4} s{sup −1}. The alloy exhibits comparable yield strength with that of Co–Al–W-base alloys containing more tungsten. From 600 °C to 800 °C, a yield strength anomaly is observed, probably due to the cross-slip of superdislocations from the octahedral plane to the cube plane. TEM analysis demonstrates that stacking faults (SFs) appear both in γ channels and γ′ precipitates in a wide temperature range. These SFs are responsible for the obvious strain hardening observed in stress–strain curves. From room temperature to 900 °C, the deformation is dominated by dislocations shearing γ′ particles. At 1000 °C, the main deformation mechanism is dislocations bypassing γ′ particles.

  18. On the Mechanical Behavior of a New Single-Crystal Superalloy for Industrial Gas Turbine Applications

    Science.gov (United States)

    Sato, Atsushi; Moverare, Johan J.; Hasselqvist, Magnus; Reed, Roger C.

    2012-07-01

    The mechanical behavior of a new single-crystal nickel-based superalloy for industrial gas turbine (IGT) applications is studied under creep and out-of-phase (OP) thermomechanical fatigue (TMF) conditions. Neutron diffraction methods and thermodynamic modeling are used to quantify the variation of the gamma prime ( γ') strengthening phase around the γ' solvus temperature; these aid the design of primary aging heat treatments to develop either uniform or bimodal microstructures of the γ' phase. Under creep conditions in the temperature range 1023 K to 1123 K (750 °C to 850 °C), with stresses between 235 to 520 MPa, the creep performance is best with a finer and uniform γ' microstructure. On the other hand, the OP TMF performance improves when the γ' precipitate size is larger. Thus, the micromechanical degradation mechanisms occurring during creep and TMF are distinct. During TMF, localized shear banding occurs with the γ' phase penetrated by dislocations; however, during creep, the dislocation activity is restricted to the matrix phase. The factors controlling TMF resistance are rationalized.

  19. 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....

  20. 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 ...

  1. 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.

  2. 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.

  3. A model for high temperature creep of single crystal superalloys based on nonlocal damage and viscoplastic material behavior

    Science.gov (United States)

    Trinh, B. T.; Hackl, K.

    2014-07-01

    A model for high temperature creep of single crystal superalloys is developed, which includes constitutive laws for nonlocal damage and viscoplasticity. It is based on a variational formulation, employing potentials for free energy, and dissipation originating from plasticity and damage. Evolution equations for plastic strain and damage variables are derived from the well-established minimum principle for the dissipation potential. The model is capable of describing the different stages of creep in a unified way. Plastic deformation in superalloys incorporates the evolution of dislocation densities of the different phases present. It results in a time dependence of the creep rate in primary and secondary creep. Tertiary creep is taken into account by introducing local and nonlocal damage. Herein, the nonlocal one is included in order to model strain localization as well as to remove mesh dependence of finite element calculations. Numerical results and comparisons with experimental data of the single crystal superalloy LEK94 are shown.

  4. 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.

  5. 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], ...

  6. Indentation Size Effects in Single Crystal Copper as Revealed by Synchrotron X-ray Microdiffraction

    Energy Technology Data Exchange (ETDEWEB)

    Feng, G.; Budiman, A. S.; Nix, W. D.; Tamura, N.; Patel, J. R.

    2007-11-19

    The indentation size effect (ISE) has been observed in numerous nanoindentation studies on crystalline materials; it is found that the hardness increases dramatically with decreasing indentation size - a 'smaller is stronger' phenomenon. Some have attributed the ISE to the existence of strain gradients and the geometrically necessary dislocations (GNDs). Since the GND density is directly related to the local lattice curvature, the Scanning X-ray Microdiffraction ({mu}SXRD) technique, which can quantitatively measure relative lattice rotations through the streaking of Laue diffractions, can used to study the strain gradients. The synchrotron {mu}SXRD technique we use - which was developed at the Advanced Light Source (ALS), Berkeley Lab - allows for probing the local plastic behavior of crystals with sub-micrometer resolution. Using this technique, we studied the local plasticity for indentations of different depths in a Cu single crystal. Broadening of Laue diffractions (streaking) was observed, showing local crystal lattice rotation due to the indentation-induced plastic deformation. A quantitative analysis of the streaking allows us to estimate the average GND density in the indentation plastic zones. The size dependence of the hardness, as found by nanoindentation, will be described, and its correlation to the observed lattice rotations will be discussed.

  7. Growth and physicochemical properties of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) single crystals

    Science.gov (United States)

    Sathyamoorthy, K.; Vinothkumar, P.; Irshad Ahamed, J.; Murali Manohar, P.; Priya, M.; Liu, Jinghe

    2018-04-01

    Single crystals of organometallic (DL)-trithioureatartrato-O1,O2,O3-cadmium(II) (TUDLC) have been grown from methanol solution by using the slow evaporation of solvent growth technique. The lattice structure and crystalline perfection have been determined by carrying out single crystal X-ray diffraction and high resolution X-ray diffraction measurements. The grown crystal was characterized thermally and mechanically by carrying out thermo-gravimetric and micro hardness measurements. The linear and nonlinear optical characterizations were made by carrying out optical transmittance, surface laser damage threshold, particle size-dependent second harmonic generation (SHG) efficiency and photo conductivity measurements. The grown crystal was electrically characterized by carrying out frequency-dependent dielectric measurements. Chemical etching study was also carried out and the dislocation density was estimated. Results obtained in the present study indicate that the grown TUDLC crystal is optically transparent with lower cut-off wavelength 304 nm, mechanically soft, thermally stable up to 101 °C and NLO active with SHG efficiency 2.13 (in KDP unit). The grown crystal is found to have considerably large size, good crystalline perfection, large specific heat capacity, higher surface laser damage threshold and negative photoconductivity.

  8. 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

  9. 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

  10. 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.

  11. 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.)

  12. 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.)

  13. 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

  14. 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...

  15. Microstructure and magnetic properties of FeCo epitaxial thin films grown on MgO single-crystal substrates

    International Nuclear Information System (INIS)

    Shikada, Kouhei; Ohtake, Mitsuru; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-01-01

    FeCo epitaxial films were prepared on MgO(100), MgO(110), and MgO(111) substrates by ultrahigh vacuum molecular beam epitaxy. FeCo thin films with (100), (211), and (110) planes parallel to the substrate surface grow on respective MgO substrates. FeCo/MgO interface structures are studied by high-resolution cross-sectional transmission electron microscopy and the epitaxial growth mechanism is discussed. Atomically sharp boundaries are recognized between the FeCo thin films and the MgO substrates where misfit dislocations are introduced in the FeCo thin films presumably to decrease the lattice misfits. Misfit dislocations are observed approximately every 9 and 1.4 nm in FeCo thin film at the FeCo/MgO(100) and the FeCo/MgO(110) interfaces, respectively. X-ray diffraction analysis indicates that the lattice spacing measured parallel to the single-crystal substrate surfaces are in agreement within 0.1% with those of the respective bulk values of Fe 50 Co 50 alloy crystal, showing that the FeCo film strain is very small. The magnetic anisotropies of these epitaxial films basically reflect the magnetocrystalline anisotropy of bulk FeCo alloy crystal

  16. 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)

  17. On the Derivation of Boundary Conditions for Continuum Dislocation Dynamics

    Directory of Open Access Journals (Sweden)

    Thomas Hochrainer

    2017-07-01

    Full Text Available Continuum dislocation dynamics (CDD is a single crystal strain gradient plasticity theory based exclusively on the evolution of the dislocation state. Recently, we derived a constitutive theory for the average dislocation velocity in CDD in a phase field-type description for an infinite domain. In the current work, so-called rational thermodynamics is employed to obtain thermodynamically consistent boundary conditions for the dislocation density variables of CDD. We find that rational thermodynamics reproduces the bulk constitutive equations as obtained from irreversible thermodynamics. The boundary conditions we find display strong parallels to the microscopic traction conditions derived by Gurtin and Needleman (M.E. Gurtin and A. Needleman, J. Mech. Phys. Solids 53 (2005 1–31 for strain gradient theories based on the Kröner–Nye tensor.

  18. 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)

  19. 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

  20. 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

  1. 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.

  2. Images of dislocations on topographies in plane wave by reflection. Comparison between theory and experiment in the case of thick and thin crystals

    International Nuclear Information System (INIS)

    Riglet, Philippe

    1979-01-01

    After having recalled fundamental notions related to the dynamic theory which govern X ray propagation in perfect and deformed crystals, this research thesis addresses various problems and difficulties met in the separate study of epitaxy and substrate strain fields: firstly, to obtain a very slightly divergent, highly monochromatic and harmonic-free beam from a white synchrotron radiation; secondly, to realise topographies in plane wave on a two axis spectrometer; and thirdly, to elaborate, from previously presented theoretical notions, a programme of simulation of dislocation images for topographies in reflection on thin crystals (about a micron). Theoretical and experimental images are compared to validate elastic models, and notably to assess the influence of the very close free surface on the actual deformation field within the epitaxial layer

  3. 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)

  4. 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.

  5. 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)

  6. Dislocation Interactions in Olivine Revealed by HR-EBSD

    Science.gov (United States)

    Wallis, David; Hansen, Lars N.; Britton, T. Ben; Wilkinson, Angus J.

    2017-10-01

    Interactions between dislocations potentially provide a control on strain rates produced by dislocation motion during creep of rocks at high temperatures. However, it has been difficult to establish the dominant types of interactions and their influence on the rheological properties of creeping rocks due to a lack of suitable observational techniques. We apply high-angular resolution electron backscatter diffraction to map geometrically necessary dislocation (GND) density, elastic strain, and residual stress in experimentally deformed single crystals of olivine. Short-range interactions are revealed by cross correlation of GND density maps. Spatial correlations between dislocation types indicate that noncollinear interactions may impede motion of proximal dislocations at temperatures of 1000°C and 1200°C. Long-range interactions are revealed by autocorrelation of GND density maps. These analyses reveal periodic variations in GND density and sign, with characteristic length scales on the order of 1-10 μm. These structures are spatially associated with variations in elastic strain and residual stress on the order of 10-3 and 100 MPa, respectively. Therefore, short-range interactions generate local accumulations of dislocations, leading to heterogeneous internal stress fields that influence dislocation motion over longer length scales. The impacts of these short- and/or long-range interactions on dislocation velocities may therefore influence the strain rate of the bulk material and are an important consideration for future models of dislocation-mediated deformation mechanisms in olivine. Establishing the types and impacts of dislocation interactions that occur across a range of laboratory and natural deformation conditions will help to establish the reliability of extrapolating laboratory-derived flow laws to real Earth conditions.

  7. 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.

  8. Creep deformation-induced antiphase boundaries in L12-containing single-crystal cobalt-base superalloys

    International Nuclear Information System (INIS)

    Eggeler, Yolita M.; Titus, Michael S.; Suzuki, Akane; Pollock, Tresa M.

    2014-01-01

    Creep-induced antiphase boundaries (APBs) in new Co-base single-crystal superalloys with coherent embedded L1 2 -γ′ precipitates have been observed. APBs formed during single-crystal tensile creep tests performed at 900 °C under vacuum at stresses between 275 and 310 MPa. The alloys investigated contained 30–39 at.% Ni, which was added to the Co–Al–W ternary system to expand the γ–γ′ phase field and increase the γ′-solvus. Transmission electron microscopy (TEM) using two-beam conditions with fundamental and superlattice reflections was performed for defect characterization. The Burgers vector b of dislocations associated with the APBs was determined to be of type b = a 0 /2[011] and a 0 /2[011 ¯ ]. The displacement vectors, R, of the APBs matched the dislocation Burgers vectors, with R = b = a 0 /2[011]. APBs were observed in nearly every precipitate beyond 0.5% creep strain for the compositions investigated. The implications for high-temperature properties are discussed

  9. Subtalar dislocation

    International Nuclear Information System (INIS)

    El-Khoury, G.Y.; Yousefzadeh, D.K.; Mulligan, G.M.; Moore, T.E.

    1982-01-01

    Over a period of three years we have seen nine patients with subtalar dislocation, all of whom sustained violent trauma to the region of the ankle and hind foot. All but one patient were males. Clinically a subtalar dislocation resembles a complicated fracture dislocation of the ankle but a definitive diagnosis can only be made radiographically. The mechanism of injury and radiographic features of this injury are discussed. (orig.)

  10. 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.

  11. 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%.

  12. 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.

  13. 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.

  14. 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.

  15. Stress coarsening of gamma-prime and its influence on creep properties of a single crystal superalloy

    International Nuclear Information System (INIS)

    Pearson, D.D.; Lemkey, F.D.; Kear, B.H.

    1980-01-01

    The effect of stress annealing on the gamma-prime morphology in single crystals of a Ni-13Al-9Mo-2Ta alloy is examined. It is found that a crystal subjected to tensile creep in the 100 line orientation develops platelets, or rafts, of gamma-prime in orientations perpendicular to the applied stress. Due to the large negative gamma/gamma-prime misfit (about 0.7%) in this alloy, the gamma/gamma-prime interfaces feature high-density misfit dislocations. Under a stress of 207 MPa at 1038 C, the rafted gamma-prime structure exhibits a rupture life of over 400 hr as compared with 100 hr for unrafted material

  16. 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...

  17. 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.

  18. 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

  19. 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.

  20. 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, ...

  1. 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.

  2. 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 ...

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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

  9. 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.

  10. 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)

  11. 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 ...

  12. 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 =

  13. 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.

  14. 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

  15. 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

  16. 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 ...

  17. Microplastic relaxations of single and polycrystalline molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Pichl, W.; Weiss, B. [Wien Univ. (Austria). Inst. fuer Materialphysik; Chen, D.L.

    1998-05-01

    The microplasticity of high-purity molybdenum single crystals and of Mo polycrystals of technical purity has been investigated by relaxation step tests in uniaxial compression. A new model for the evaluation of relaxation tests in the microplastic range of b.c.c metals is presented which takes into account the decrease of the mobile dislocation density due to exhaustion of non-screw dislocations. The model allows an independent determination of the activation volume and of the microstructure parameters controlling dislocation exhaustion. The results indicate that in the high-purity single crystals the deformation rate is controlled by interactions of non-screw dislocations with the grown-in network. In the polycrystals additional interactions with impurity atoms seem to occur. In the single crystals the activity and subsequent exhaustion of two different glide systems was observed, followed by a gradual onset of screw dislocation motion. (orig.) 26 refs.

  18. Molecular dynamics study on the interaction of a dislocation and radiation induced defect clusters in Fcc crystals

    International Nuclear Information System (INIS)

    Hideo, Kaburaki; Tomoko, Kadoyoshi; Futoshi, Shimizu; Hajime; Kimizuka; Shiro, Jitsukawa

    2003-01-01

    Irradiation of high-energy neutrons and charged particles into solids is known to cause a significant change in mechanical properties, in particular, hardening of metals. Hardening of solids arises as a result of interactions of dislocations with irradiation induced defect clusters. Molecular dynamics method combined with the visualization method has been used to elucidate these complex pinning structures in details. In particular, we have successfully observed the transient process for the formation of a super-jog from an edge dislocation and interstitial and vacancy clusters under irradiation cascade conditions. Parallel molecular dynamics programs, called as Parallel Molecular Dynamics Stencil (PMDS), have been developed in order to perform these large scale simulations for materials simulations. The contents of the program and its parallel performance are also reported. (authors)

  19. 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.

  20. Jaw Dislocation

    Science.gov (United States)

    ... used to temporarily stabilize the jaw after a fracture or dislocation. More Information Mouth Healthy Resources In This Article Figure 1 Putting a Dislocated Jaw Back in Place Figure 2 Barton Bandage Urgent Dental Problems Introduction to Urgent Dental Problems Fractured, Loosened, ...

  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. 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.

  3. 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

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Effect of core energy on mobility in a continuum dislocation model

    Science.gov (United States)

    Lee, Dong Wook; Kim, Hojin; Strachan, Alejandro; Koslowski, Marisol

    2011-03-01

    We present a first-principles-based, multiscale single-crystal plasticity model for fcc metals and apply it to nickel. The model consists of a phase field approach to dislocation dynamics (PFDD) with all its input parameters obtained from equilibrium and nonequilibrium molecular-dynamics (MD) simulations. The atomistic information used to inform the phase field model includes elastic constants, dislocation core energy, crystal disregistry energy (gamma surface), and dislocation mobility. We show that the PFDD model can be simplified to the Frenkel-Kontorowa equations for straight dislocations, and under these conditions an analytical time-dependent solution enables a direct connection to nonequilibrium MD simulations. This time-dependent analytical solution provides a relationship between dislocation mobility (ratio between dislocation velocity and applied stress) and fundamental atomic-scale materials properties that arise from the atomistics: unstable stacking fault energy and dislocation core energy and width. We find that the dislocation mobility increases linearly with the ratio between the core energy and unstable stacking fault energy in the PFDD theory.

  9. 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.

  10. 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

  11. Temperature and strain-rate dependence of the flow stress of ultrapure tantalum single crystals

    International Nuclear Information System (INIS)

    Werner, M.

    1987-01-01

    Measurements of the temperature dependence of the cyclic flow stress of ultrapure tantalum single crystals (RRR >∼ 14000) are extended to lower temperatures. After cyclic deformation well into saturation at 400 K, the temperature dependence of the flow stress is measured between 80 and 450 K at five different plastic resolved shear-strain rates, ε pl , in the range 2 x 10 -5 to 6 x 10 -3 s -1 . Below a critical temperature T k the flow stress is dominantly controlled by the mobility of screw dislocations. A recent theory of Seeger describes the 'thermal' component, σ*, of the flow stress (resolved shear stress) in the temperature and stress regime where the strain rate is determined by the formation and migration of kink pairs. The analytical expressions are valid in well-defined ranges of stress and temperature. The evaluation of the experimental data yields a value for the formation enthalpy of two isolated kinks 2H k = 0.98 eV. From the low-stress (σ* k = 2.0 x 10 -6 m 2 s -1 . The product of the density of mobile screw dislocations and the distance between insurmountable obstacles is found to be 2 x 10 -5 m -1 . The stress dependence of the kink-pair formation enthalpy H kp follows the theoretically predicted curve in the elastic-interaction stress regime. At the transition to the line-tension approximation (near σ* ∼ 80 MPa) the activation volume increases rather abruptly. Moreover, the quantitative analysis involves kinks other than those of minimum height. The most likely candidates are kinks on {211} planes. (author)

  12. High-temperature discrete dislocation plasticity

    Science.gov (United States)

    Keralavarma, S. M.; Benzerga, A. A.

    2015-09-01

    A framework for solving problems of dislocation-mediated plasticity coupled with point-defect diffusion is presented. The dislocations are modeled as line singularities embedded in a linear elastic medium while the point defects are represented by a concentration field as in continuum diffusion theory. Plastic flow arises due to the collective motion of a large number of dislocations. Both conservative (glide) and nonconservative (diffusion-mediated climb) motions are accounted for. Time scale separation is contingent upon the existence of quasi-equilibrium dislocation configurations. A variational principle is used to derive the coupled governing equations for point-defect diffusion and dislocation climb. Superposition is used to obtain the mechanical fields in terms of the infinite-medium discrete dislocation fields and an image field that enforces the boundary conditions while the point-defect concentration is obtained by solving the stress-dependent diffusion equations on the same finite-element grid. Core-level boundary conditions for the concentration field are avoided by invoking an approximate, yet robust kinetic law. Aspects of the formulation are general but its implementation in a simple plane strain model enables the modeling of high-temperature phenomena such as creep, recovery and relaxation in crystalline materials. With emphasis laid on lattice vacancies, the creep response of planar single crystals in simple tension emerges as a natural outcome in the simulations. A large number of boundary-value problem solutions are obtained which depict transitions from diffusional to power-law creep, in keeping with long-standing phenomenological theories of creep. In addition, some unique experimental aspects of creep in small scale specimens are also reproduced in the simulations.

  13. 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.)

  14. Investigation of the glide modes of single crystals of beryllium; Etude des modes de glissement de monocristaux de beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Regnier, P. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-05-01

    The flow characteristics of single crystals of beryllium specially oriented for slip along a single plane and a single direction have been thoroughly investigated. The elastic limit and the strain hardening in basal glide have been investigated in the temperature range (-195 deg. C, 400 deg. C) in tension as well as in compression. Observation of the slip lines and of the dislocation configurations have also been made in addition to the mechanical tests. The prismatic slip has been studied in greater detail: tensile tests have been performed on specimens carefully oriented at different temperatures, strain rates and with varying orientations of the basal and of the prism planes. Tests have also been made in the micro-strain range; the slip lines and the dislocation arrangements were observed in detail. The very unusual variation of the elastic limit with temperature is not due to impurities but to a cross slip mechanism. A model of dislocation locking is proposed to account for the experimental results. This mechanism assumes that the a-bar dislocations may also dissociate on the prism planes [101-bar 0]. Various possible dissociations are suggested, the most probable of which corresponds to the phase transformation: Hexagonal close packed to body centered cubic. This proposal can be extended to account for the relative ease of glide on the different systems in the hexagonal close packed metals. (author) [French] L' ecoulement de monocristaux de berylliurn deformes en glissement basal et en glissement prismatique a ete etudie sur des echantillons orientes de maniere a favoriser au maximum la deformation suivant une seule direction d'un seul systeme de glissement. L'influence de la temperature sur la limite elastique et la consolidation en glissement basal a ete etudie depuis -195 deg. C jusqu' 400 deg. C sur des echantillons deformes en tension et sur d'autres deformes en compression. Ces essais mecaniques ont ete completes par l

  15. 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.

  16. 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.

  17. Characterizing short-range vs. long-range spatial correlations in dislocation distributions

    Energy Technology Data Exchange (ETDEWEB)

    Chevy, Juliette, E-mail: juliette.chevy@gmail.com [Laboratoire de Glaciologie et Geophysique de l' Environnement-CNRS, 54 rue Moliere, 38402 St. Martin d' Heres (France)] [Laboratoire Science et Ingenierie des Materiaux et Procedes, Grenoble INP-CNRS-UJF, BP 75, 38402 St. Martin d' Heres Cedex (France); Fressengeas, Claude; Lebyodkin, Mikhail; Taupin, Vincent [Laboratoire de Physique et Mecanique des Materiaux, Universite Paul Verlaine-Metz/CNRS, Ile du Saulcy, 57045 Metz Cedex (France); Bastie, Pierre [Laboratoire de Spectrometrie Physique, BP 87, 38402 St. Martin d' Heres Cedex (France)] [Institut Laue Langevin, BP 156, 38042 Grenoble Cedex 9 (France); Duval, Paul [Laboratoire de Glaciologie et Geophysique de l' Environnement-CNRS, 54 rue Moliere, 38402 St. Martin d' Heres (France)

    2010-03-15

    Hard X-ray diffraction experiments have provided evidence of a strongly heterogeneous distribution of dislocation densities along the axis of cylindrical ice single crystals oriented for basal slip in torsion creep. The dislocation arrangements showed a complex scale-invariant character, which was analyzed by means of statistical and multifractal techniques. A trend to decreasing autocorrelation of the dislocation distribution was observed as deformation proceeds. At low strain levels, long-range spatial correlations control the distribution, but short-range correlations in relation with cross-slip progressively prevail when strain increases. This trend was reproduced by a model based on field dislocation dynamics, a theory accounting for both long-range elastic interactions and short-range interactions through transport of dislocation densities.

  18. Characterizing short-range vs. long-range spatial correlations in dislocation distributions

    International Nuclear Information System (INIS)

    Chevy, Juliette; Fressengeas, Claude; Lebyodkin, Mikhail; Taupin, Vincent; Bastie, Pierre; Duval, Paul

    2010-01-01

    Hard X-ray diffraction experiments have provided evidence of a strongly heterogeneous distribution of dislocation densities along the axis of cylindrical ice single crystals oriented for basal slip in torsion creep. The dislocation arrangements showed a complex scale-invariant character, which was analyzed by means of statistical and multifractal techniques. A trend to decreasing autocorrelation of the dislocation distribution was observed as deformation proceeds. At low strain levels, long-range spatial correlations control the distribution, but short-range correlations in relation with cross-slip progressively prevail when strain increases. This trend was reproduced by a model based on field dislocation dynamics, a theory accounting for both long-range elastic interactions and short-range interactions through transport of dislocation densities.

  19. 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.

  20. 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.

  1. 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)

  2. 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...

  3. 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.

  4. 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.

  5. 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.)

  6. 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.

  7. 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.

  8. Smectic meniscus and dislocations

    International Nuclear Information System (INIS)

    Geminard, J.C.; Oswald, P.; Holyst, R.

    1998-01-01

    In ordinary liquids the size of a meniscus and its shape is set by a competition between surface tension and gravity. The thermodynamical process of its creation can be reversible. On the contrary, in smectic liquid crystals the formation of the meniscus is always an irreversible thermodynamic process since it involves the creation of dislocations (therefore it involves friction). Also the meniscus is usually small in experiments with smectics in comparison to the capillary length and therefore the gravity does not play any role in determining the meniscus shape. Here we discuss the relation between dislocations and meniscus in smectics. The theoretical predictions are supported by a recent experiment performed on freely suspended films of smectic liquid crystals. In this experiment the measurement of the meniscus radius of curvature gives the pressure difference, Δp, according to the Laplace law. From the measurements of the growth dynamics of a dislocation loop (governed by Δp) we find the line tension (∼8 x 10 -8 dyn) and the mobility of an elementary edge dislocation (∼4 x 10 - 7 cm 2 s/g). (author)

  9. 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

  10. 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.

  11. 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)

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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).

  20. 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.

  1. 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.

  2. 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.

  3. 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...

  4. 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

  5. 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

  6. Dynamical theoretical model of the high-resolution double-crystal x-ray diffractometry of imperfect single crystals with microdefects

    International Nuclear Information System (INIS)

    Molodkin, V. B.; Olikhovskii, S. I.; Kislovskii, E. N.; Vladimirova, T. P.; Skakunova, E. S.; Seredenko, R. F.; Sheludchenko, B. V.

    2008-01-01

    The dynamical diffraction model has been developed for the quantitative description of rocking curves (RCs) measured in the Bragg diffraction geometry from single crystals containing homogeneously distributed microdefects of several types and with arbitrary sizes. The analytical expressions for coherent and diffuse RC components, which take self-consistently multiple-scattering effects into account and depend explicitly on microdefect characteristics (radius, concentration, strength, etc.), have been derived with taking into account the instrumental factors. The developed model has been applied to determine the characteristics of oxygen precipitates and dislocation loops in silicon crystals grown by Czochralsky and float-zone methods using RCs measured by the high-resolution double-crystal x-ray diffractometer. It has been shown, particularly, that completely dynamical consideration of Huang as well as Stockes-Wilson diffuse scattering (DS) in both diffuse RC component and coefficient of extinction of coherent RC component due to DS, together with taking asymmetry and thermal DS effects into account, provides the possibility to distinguish contributions into RC from defects of different types, which have equal or commensurable effective radii

  7. Low cycle fatigue properties and microstructure evolution at 760 °C of a single crystal superalloy

    Directory of Open Access Journals (Sweden)

    Zhenxue Shi

    2015-02-01

    Full Text Available Low cycle fatigue (LCF behavior of a single crystal superalloy was investigated at 760 °C. Microstructure evolution and fracture mechanism were studied by scanning electron microscopy (SEM and transmission electron microscopy (TEM, respectively. The results show that the fatigue data fluctuation was small and the fatigue parameters of the alloy had been determined. On increasing the cyclic number, the alloy initially showed slight cyclic softening at the early two or three cycles and slowly hardened to some extent afterwards, then kept stable for the most of the remaining fatigue life. The LCF of the alloy at 760 °C can be attributed to the main elastic damage in fatigue processing. The initiation site of fatigue crack was at or near the surface of the samples. Crack propagated perpendicularly to the loading direction at first and then along {111} octahedral slip planes. The fatigue fracture mechanism was quasi-cleavage fracture. The γ′ phase morphology still maintained cubic shape after fracture. There were a number of slip bands shear the γ′ precipitates and γ matrix near the fracture surface of the specimen. The inhomogeneous deformation microstructure was developed by dislocation motion of cross-slip and a limited γ′ precipitate shearing by slip band, stacking faults or single dislocation was observed.

  8. 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.

  9. 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

  10. Optimization and characterization of bulk hexagonal boron nitride single crystals grown by the nickel-chromium flux method

    Science.gov (United States)

    Hoffman, Tim

    Hexagonal boron nitride (hBN) is a wide bandgap III-V semiconductor that has seen new interest due to the development of other III-V LED devices and the advent of graphene and other 2-D materials. For device applications, high quality, low defect density materials are needed. Several applications for hBN crystals are being investigated, including as a neutron detector and interference-less infrared-absorbing material. Isotopically enriched crystals were utilized for enhanced propagation of phonon modes. These applications exploit the unique physical, electronic and nanophotonics applications for bulk hBN crystals. In this study, bulk hBN crystals were grown by the flux method using a molten Ni-Cr solvent at high temperatures (1500°C) and atmospheric pressures. The effects of growth parameters, source materials, and gas environment on the crystals size, morphology and purity were established and controlled, and the reliability of the process was greatly improved. Single-crystal domains exceeding 1mm in width and 200microm in thickness were produced and transferred to handle substrates for analysis. Grain size dependence with respect to dwell temperature, cooling rate and cooling temperature were analyzed and modeled using response surface morphology. Most significantly, crystal grain width was predicted to increase linearly with dwell temperature, with single-crystal domains exceeding 2mm in at 1700°C. Isotopically enriched 10B and 11B hBN crystal were produced using a Ni-Cr-B flux method, and their properties investigated. 10B concentration was evaluated using SIMS and correlated to the shift in the Raman peak of the E2g mode. Crystals with enrichment of 99% 10B and >99% 11B were achieved, with corresponding Raman shift peaks at 1392.0 cm-1 and 1356.6 cm-1, respectively. Peak FWHM also decreased as isotopic enrichment approached 100%, with widths as low as 3.5 cm-1 achieved, compared to 8.0 cm-1 for natural abundance samples. Defect selective etching was

  11. 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.

  12. Determining polarity and dislocation core structures at atomic level for epitaxial AlN/(0001)6H-SiC from a single image in HRTEM.

    Science.gov (United States)

    Cui, Y X; Wang, Y M; Wen, C; Ge, B H; Li, F H; Chen, Y; Chen, H

    2013-03-01

    The polarity of epitaxial AlN film grown on (0001)6H-SiC and dislocation core structures in the film have been studied using a 200 kV LaB6 high-resolution transmission electron microscope of point resolution about 0.2 nm. A posterior image processing technique, the image deconvolution, was utilized to transform a single [21¯1¯0] image that does not intuitively represent the structure into the projected structure map. The adjacent Al and N projected atomic columns with the interatomic distance 0.109 nm can be distinguished from each other by analyzing the image contrast change with the sample thickness based on the pseudo-weak phase object approximation. This makes possible to derive the polarity and core structures of partial dislocations in the epitaxial AlN film at atomic level from a single image without relying on any other additional structure information. The atomic configurations for two partial dislocations containing a 10-atom ring and a 12-atom ring, respectively, have been attained. The method is available for II-VI and other III-V compounds. Its principle and procedure are briefly introduced. Copyright © 2012 Elsevier B.V. All rights reserved.

  13. 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.

  14. Sodium sulfanilate dihydrate (SSDH) single crystals grown by conventional slow evaporation and Sankaranarayanan–Ramasamy (SR) method and its comparative characterization analysis

    International Nuclear Information System (INIS)

    Senthil Pandian, M.; Ramasamy, P.

    2012-01-01

    Graphical abstract: (a) Unidirectional nonlinear optical sodium sulfanilate dihydrate (SSDH) single crystal grown by SR method and (b and c) cut and polished wafers of SR method grown SSDH single crystals. Highlights: ► Sodium sulfanilate dihydrate single crystal was grown by Sankaranarayanan–Ramasamy method which has the sizes of 100 mm length and 30 mm diameter for the first time. ► The conventional and SR-grown SSDH single crystals were characterized using etching, laser damage threshold, microhardness, UV–vis, birefringence and dielectric tensor analysis. ► The SR-grown SSDH crystal has higher LDT, microhardness, transparency, birefringence and lower dislocation density, dielectric loss than the crystal grown by conventional method. ► The dielectric tensor components were measured and found to be ε 11 = 12.2, ε 22 = 9.5, and ε 33 = 8.5. - Abstract: A transparent uniaxial sodium sulfanilate dihydrate (SSDH) single crystal having dimension of 30 mm diameter and 100 mm length was grown by Sankaranarayanan–Ramasamy (SR) method with a growth rate of 1 mm per day. Using an identical solution the conventional crystal grown to a dimension of 12 mm × 20 mm × 5 mm was obtained over a period of 20 days. The crystal structure has been confirmed by single crystal X-ray diffraction (XRD) measurement. The crystalline perfection of sodium sulfanilate dihydrate crystals grown by slow evaporation solution technique (SEST) and SR method were characterized using chemical etching, laser damage threshold, Vickers microhardness, UV–vis NIR, birefringence and dielectric analysis. The above study indicates that the crystal quality of the Sankaranarayanan–Ramasamy (SR) method grown sodium sulfanilate dihydrate is good compared to conventional solution method grown SSDH crystal. The growth features of inclusions, low angle grain boundaries, twins and micro-cracks have been observed in conventional method grown SSDH crystals. The dielectric tensor components for

  15. 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.

  16. Perilunate Dislocation

    Directory of Open Access Journals (Sweden)

    John Jiao

    2016-09-01

    Full Text Available History of present illness: A 25-year-old female presented to the emergency department with left wrist pain following a fall off a skateboard. The patient fell on her outstretched left wrist with the wrist dorsiflexed and reported immediate sharp pain to her left wrist that was worse with movement. She denied other trauma. Significant findings: In the left lateral wrist x-ray, the lunate (outlined in blue is dislocated from the rest of the wrist bones (yellow line but still articulates with the radius (red line. The capitate (yellow line does not sit within the distal articulation of the lunate and is displaced dorsally. Additionally, a line drawn through the radius and lunate (green line fails to intersect with the capitate. This is consistent with a perilunate dislocation. This is compared to a lunate dislocation, where the lunate itself is displaced and turned ventrally (spilled teacup and the proximal aspect does not articulate with the radius. Discussion: A perilunate dislocation is a significant closed wrist injury that is easily missed on standard anterior-posterior imaging. These dislocations are relatively rare, involving only 7% of all carpal injuries and are associated with high-energy trauma onto a hyperextended wrist, such as falls from a height, motor vehicle accidents, and sports injuries.1 An untreated perilunate dislocation is associated with high risk of chronic carpal instability and post-traumatic arthritis. If the mechanism of injury is sufficient to suspect perilunate dislocation, multiple radiographic views of the wrist should be ordered. Patients should receive prompt orthopedic consultation for open reduction and ligamentous repair. Even after successful identification and subsequent surgical repair, median nerve neuropathy and post-traumatic arthritis are frequent.2-3

  17. 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...

  18. 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

  19. 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)

  20. 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].

  1. 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.

  2. 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

  3. Synchrotron Topographic and Diffractometer Studies of Buried Layered Structures Obtained by Implantation with Swift Heavy Ions in Silicon Single Crystals

    International Nuclear Information System (INIS)

    Wierzchowski, W.; Wieteska, K.; Zymierska, D.; Graeff, W.; Czosnyka, T.; Choinski, J.

    2006-01-01

    A distribution of crystallographic defects and deformation in silicon crystals subjected to deep implantation (20-50 μm) with ions of the energy of a few MeV/amu is studied. Three different buried layered structures (single layer, binary buried structure and triple buried structure) were obtained by implantation of silicon single crystals with 184 MeV argon ions, 29.7 MeV boron ions, and 140 MeV argon ions, each implantation at a fluency of 1x10 14 ions cm -2 . The implanted samples were examined by means of white beam X-ray section and projection topography, monochromatic beam topography and by recording local rocking curves with the beam restricted to 50 x 50 μm 2 . The experiment pointed to a very low level of implantation-induced strain (below 10 -5 ). The white beam Bragg case section experiment revealed a layer producing district black contrast located at a depth of the expected mean ion range. The presence of these buried layered structures in studied silicon crystals strongly affected the fringe pattern caused by curvature of the samples. In case of white beam projection and monochromatic beam topographs the implanted areas were revealed as darker regions with a very tiny grain like structure. One may interpret these results as the effect of considerable heating causing annihilation of point defects and formation of dislocation loops connected with point defect clusters. (author)

  4. 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

  5. Helical growth of aluminum nitride: new insights into its growth habit from nanostructures to single crystals.

    Science.gov (United States)

    Zhang, Xing-Hong; Shao, Rui-Wen; Jin, Lei; Wang, Jian-Yu; Zheng, Kun; Zhao, Chao-Liang; Han, Jie-Cai; Chen, Bin; Sekiguchi, Takashi; Zhang, Zhi; Zou, Jin; Song, Bo

    2015-05-15

    By understanding the growth mechanism of nanomaterials, the morphological features of nanostructures can be rationally controlled, thereby achieving the desired physical properties for specific applications. Herein, the growth habits of aluminum nitride (AlN) nanostructures and single crystals synthesized by an ultrahigh-temperature, catalyst-free, physical vapor transport process were investigated by transmission electron microscopy. The detailed structural characterizations strongly suggested that the growth of AlN nanostructures including AlN nanowires and nanohelixes follow a sequential and periodic rotation in the growth direction, which is independent of the size and shape of the material. Based on these experimental observations, an helical growth mechanism that may originate from the coeffect of the polar-surface and dislocation-driven growth is proposed, which offers a new insight into the related growth kinetics of low-dimensional AlN structures and will enable the rational design and synthesis of novel AlN nanostructures. Further, with the increase of temperature, the growth process of AlN grains followed the helical growth model.

  6. Direct observation of plasticity and quantitative hardness measurements in single crystal cyclotrimethylene trinitramine by nanoindention

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Kyle J [Los Alamos National Laboratory; Hooks, David E [Los Alamos National Laboratory; Bahr, David F [WSU

    2008-01-01

    Investigation of deformation beginning with elasticity and continuing through the elastic-plastic transition to incipient cracking has been conducted for (210), (021), and (001) oriented single crystals of the explosive cyclotrimethylene trinitramine, commonly known as 'RDX' Instrumented indentation was performed with a conical tip over a range of loads. The resulting load-depth data exhibited distinct, reproducible, orientation dependent load excursions demonstrating elastic-plastic transitions. Indent impressions were imaged by scanning probe microscopy. Impressions on the (210) and (001) planes showed deformation pileup features associated with zone axes of slip planes. Clearly discernable slip traces were evident on the (210) plane. The (021) indentations produced significant material pile-up surrounding the impression, but did not contain discrete features associable with specific zone axes. All of the orientations exhibited cracking thresholds at very low loads. The reduced moduli were anisotropic and the hardness's were isotropic indicating limited plasticity. Maximum shear stresses estimated from a Hertzian model, at load excursions, were within a factor of 10 of published shear moduli indicating deformation initiated near the theoretical yield strength presumably by homogeneous nucleation of dislocations. The material strength parameters and apparent deformation pathways inferred from this work are compared to historical microhardness testing and interpretation of anisotropic hardness in which ambiguity of results can be attributed to the effects of cracking and simultaneous slip on multiple systems.

  7. Reliability of Single Crystal Silver Nanowire-Based Systems: Stress Assisted Instabilities.

    Science.gov (United States)

    Ramachandramoorthy, Rajaprakash; Wang, Yanming; Aghaei, Amin; Richter, Gunther; Cai, Wei; Espinosa, Horacio D

    2017-05-23

    Time-dependent mechanical characterization of nanowires is critical to understand their long-term reliability in applications, such as flexible-electronics and touch screens. It is also of great importance to develop a theoretical framework for experimentation and analysis on the mechanics of nanowires under time-dependent loading conditions, such as stress-relaxation and fatigue. Here, we combine in situ scanning electron microscope (SEM)/transmission electron microscope (TEM) tests with atomistic and phase-field simulations to understand the deformation mechanisms of single crystal silver nanowires held under constant strain. We observe that the nanowires initially undergo stress-relaxation, where the stress reduces with time and saturates after some time period. The stress-relaxation process occurs due to the formation of few dislocations and stacking faults. Remarkably, after a few hours the nanowires rupture suddenly. The reason for this abrupt failure of the nanowire was identified as stress-assisted diffusion, using phase-field simulations. Under a large applied strain, diffusion leads to the amplification of nanowire surface perturbation at long wavelengths and the nanowire fails at the stress-concentrated thin cross-sectional regions. An analytical analysis on the competition between the elastic energy and the surface energy predicts a longer time to failure for thicker nanowires than thinner ones, consistent with our experimental observations. The measured time to failure of nanowires under cyclic loading conditions can also be explained in terms of this mechanism.

  8. 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.

  9. 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)

  10. 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.)

  11. 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

  12. Quantitative in-situ TEM nanotensile testing of single crystal Ni facilitated by a new sample preparation approach.

    Science.gov (United States)

    Samaeeaghmiyoni, Vahid; Idrissi, Hosni; Groten, Jonas; Schwaiger, Ruth; Schryvers, Dominique

    2017-03-01

    Twin-jet electro-polishing and Focused Ion Beam (FIB) were combined to produce small size Nickel single crystal specimens for quantitative in-situ nanotensile experiments in the transmission electron microscope. The combination of these techniques allows producing samples with nearly defect-free zones in the centre in contrast to conventional FIB-prepared samples. Since TEM investigations can be performed on the electro-polished samples prior to in-situ TEM straining, specimens with desired crystallographic orientation and initial microstructure can be prepared. The present results reveal a dislocation nucleation-controlled plasticity, in which small loops induced by FIB near the edges of the samples play a central role. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. 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.

  14. 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.

  15. 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.

  16. 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...

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. Lunate Dislocation

    Directory of Open Access Journals (Sweden)

    Jonathan Peña

    2017-01-01

    Full Text Available History of present illness: A 28-year-old right-handed male presented to the ED after he fell onto his outstretched right hand after being thrown from his motorcycle at highway speeds. He complained of right wrist pain. On exam, he had a visible deformity of his right wrist with diffuse tenderness to palpation over the wrist. Sensation was intact and he had 2+ radial and ulnar pulses. Significant findings: Plain film of the right wrist showed the classic “spilled teacup” consistent with a lunate dislocation. There is a loss of the normal articulation between the distal radius and lunate (white curved highlights represent expected points of articulation. Discussion: The most common mechanism leading to a dislocation of lunate is a fall onto an outstretched hand with the wrist in extension. Damage to the ligamentous infrastructure (commonly the dorsal radiolunate ligament causes destabilization.1 Lunate dislocations are distinguished from perilunate dislocations by assessing for the preservation of the articulation between the lunate and distal radius. In lunate dislocations, this articulation is disrupted leading to the classic “spilled teacup” appearance as seen above. However, if the articulation between the distal radius and lunate is preserved, but there is displacement of the carpal bones (eg, scaphoid, triquetrum, etc, then the dislocation is referred to as a perilunate dislocation. Plain film radiography oriented in the lateral view is typically the first-line modality for diagnosis. However, advanced imaging such as computed tomography or magnetic resonance imaging may be required to rule out fracture. It is important to keep in mind that the lunate receives its blood supply distally from the anterior interosseous artery; therefore, any injury (eg, fracture that disrupts perfusion places the patient at risk for avascular necrosis.2 As with all orthopedic upper extremity injuries, a thorough neurologic exam should be performed

  4. Correlation Between the Microstructural Defects and Residual Stress in a Single Crystal Nickel-Based Superalloy During Different Creep Stages

    Science.gov (United States)

    Mo, Fangjie; Wu, Erdong; Zhang, Changsheng; Wang, Hong; Zhong, Zhengye; Zhang, Jian; Chen, Bo; Hofmann, Michael; Gan, Weimin; Sun, Guangai

    2018-03-01

    The present work attempts to reveal the correlation between the microstructural defects and residual stress in the single crystal nickel-based superalloy, both of which play the significant role on properties and performance. Neutron diffraction was employed to investigate the microstructural defects and residual stresses in a single crystal (SC) nickel-based superalloy, which was subjected to creeping under 220 MPa and 1000 °C for different times. The measured superlattice and fundamental lattice reflections confirm that the mismatch and tetragonal distortions with c/a > 1 exist in the SC superalloy. At the initially unstrained state, there exists the angular distortion between γ and γ' phases with small triaxial compressive stresses, ensuring the structural stability of the superalloy. After creeping, the tetragonal distortion for the γ phase is larger than that for the γ' phase. With increasing the creeping time, the mismatch between γ and γ' phases increases to the maximum, then decreases gradually and finally remains unchanged. The macroscopic residual stress shows a similar behavior with the mismatch, indicating the correlation between them. Based on the model of shear and dislocations, the evolution of microstructural defects and residual stress are reasonably explained. The effect of shear is dominant at the primary creep stage, which greatly enlarges the mismatch and the residual stress. The dislocations weaken the effect of shear for the further creep stage, resulting in the decrease of the mismatch and relaxation of the residual stress. Those findings add some helpful understanding into the microstructure-performance relationship in the SC nickel-based superalloy, which might provide the insight to materials design and applications.

  5. Effect of hydrogen on deformation structure and properties of CMSX-2 nickel-base single-crystal superalloy

    Science.gov (United States)

    Dollar, M.; Bernstein, I. M.; Walston, S.; Prinz, F.; Domnanovich, A.

    1987-01-01

    Material used in this study was a heat of the alloy CMSX-2. This nickel-based superalloy was provided in the form of oriented single crystals, solutionized for 3 hrs at 1315 C. It was then usually heat treated as follows: 1050 C/16h/air cool + 850 C/48h/air cool. The resulting microstructure is dominated by cuboidal, ordered gamma precipitates with a volume fraction of about 75% and an average size of 0.5 microns. In brief, the most compelling hydrogen induced-changes in deformation structure are: (1) enhanced dislocation accumulation in the gamma matrix; and (2) more extensive cross-slip of superdislocations in the gamma precipitates. The enhanced dislocation density in gamma acts to decrease the mean free path of a superdislocation, while easier cross slip hinders superdislocation movement by providing pinning points in the form of sessile jobs. Both processes contribute to the increase of flow stress and the notable work hardening that occurs prior to fracture.

  6. Contribution of a solute atoms in the relaxation phenomenon at high temperature in Cu-Al single crystal alloys

    Science.gov (United States)

    Belamri, C.; Belhas, S.; Rivière, A.

    2009-11-01

    Two Cu-Al single crystals with 7 and 14 at. % Al respectively have been studied using isothermal mechanical spectroscopy (IMS) technique. After a 1% cold work by torsion, the samples have been progressively heated to 1140 K and then cooled until room temperature. IMS experiments allow to compare the isothermal internal friction spectra obtained during the heating (in this case, the annealing temperature is equal to the temperature of measurement) with the measurements performed at various temperature during the cooling after the annealing at 1140 K. Three relaxation peaks were observed. The first one at about 0.4 TM (TM: melting point) is a Zener relaxation peak (PZ) due to the reorientation under constraint of pairs of aluminium atoms. The high temperature annealing does not influence PZ. At about 0.6TM, a peak (P1) related to a dislocation mechanism is evidenced. The relaxation strength of P1 peak decreases with the temperature and a new relaxation peak (P2) is progressively developed. The IMS spectra obtained during the cooling evidenced only P2. The relaxation parameters obtained by the Arrhenius plots and the evolution with the annealing temperature allow to assign P1 and P2 to an interaction between the dislocations and the solute atoms according to the Darinskiy model.

  7. Theory of interacting dislocations on cylinders.

    Science.gov (United States)

    Amir, Ariel; Paulose, Jayson; Nelson, David R

    2013-04-01

    We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

  8. 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 ...

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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)

  17. 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...

  18. 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.

  19. Effect of Pre-Fatigue on the Monotonic Deformation Behavior of a Coplanar Double-Slip-Oriented Cu Single Crystal

    Directory of Open Access Journals (Sweden)

    Xiao-Wu Li

    2016-11-01

    Full Text Available The [ 2 ¯ 33 ] coplanar double-slip-oriented Cu single crystals were pre-fatigued up to a saturation stage and then uniaxially tensioned or compressed to fracture. The results show that for the specimen pre-fatigued at a plastic strain amplitude γpl of 9.2 × 10−4, which is located within the quasi-plateau of the cyclic stress-strain (CSS curve, its tensile strength and elongation are coincidently improved, showing an obvious strengthening effect by low-cycle fatigue (LCF training. However, for the crystal specimens pre-fatigued at a γpl lower or higher than the quasi-plateau region, due to a low pre-cyclic hardening or the pre-induction of fatigue damage, no marked strengthening effect by LCF training occurs, and even a weakening effect by LCF damage takes place instead. In contrast, the effect of pre-fatigue deformation on the uniaxial compressive behavior is not so significant, since the compressive deformation is in a stress state more beneficial to the ongoing plastic deformation and it is insensitive to the damage induced by pre-cycling. Based on the observations and comparisons of deformation features and dislocation structures in the uniaxially deformed [ 2 ¯ 33 ] crystal specimens which have been pre-fatigued at different γpl, the micro-mechanisms for the effect of pre-fatigue on the static mechanical behavior are discussed.

  20. Czochralski growth and topographic study of tetragonal (La,Sr)(Al,Ta)O 3 single crystals

    Science.gov (United States)

    Xiao, Jingzhong; Shao, Manjun; Tian, Yulian; Huang, Wanxia; Wang, Aihua; Yin, Shaotang

    2002-03-01

    Large tetragonal phase (La,Sr)(Al,Ta)O 3 (LSAT) crystals used as substrates for growing functional thin-film materials were successfully grown by the Czochralski method using [0 0 1] LaAlO 3 rod as seed. The crystal phase was determined by the method of powder X-ray diffraction analysis and the transmission spectrum indicates that the absorption edge of the crystal is at 270 nm while no apparent absorption peaks were found. Through the technique of environmental scanning electron microscopy and synchrotron radiation white-beam topography, the surface topography and defects were characterized, and clear and stable images of twins, micro-cracks, inclusions, grain boundaries, dislocation etch pits, and growth striations in the as-grown LSAT crystals were obtained.

  1. 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.

  2. 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.

  3. Mosaic dislocation structures in aluminium crystals deformed in multiple slip at 0.5 to 0.8TM

    DEFF Research Database (Denmark)

    Theyssier, M.C.; Chenal, B.; Driver, J.H.

    1995-01-01

    Deformation microstructures are characterised in high purity aluminium crystals deformed in multiple slip by channel die compression up to strains of 1.5, temperatures of 473 to 773 K, and strain rates of 10(-1) to 10(-3) s(-1). Four single crystal orientations are examined: three orientations...... corresponding to the stable rolling texture components of polycrystalline f.c.c. metals, C {112} [111], S {421} [112] and B {110} [112] and one recrystallisation component {001} [250]. The deformation microstructures are investigated by different techniques over a wide range of scales and the local orientations...

  4. 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.

  5. Dislocation dynamics simulations of plasticity at small scales

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Caizhi [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this research is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. Time-Dependent Mechanical Response of APbX3 (A = Cs, CH3NH3; X = I, Br) Single Crystals

    KAUST Repository

    Reyes-Martinez, Marcos A.

    2017-05-02

    The ease of processing hybrid organic-inorganic perovskite (HOIPs) films, belonging to a material class with composition ABX3 , from solution and at mild temperatures promises their use in deformable technologies, including flexible photovoltaic devices, sensors, and displays. To successfully apply these materials in deformable devices, knowledge of their mechanical response to dynamic strain is necessary. The authors elucidate the time- and rate-dependent mechanical properties of HOIPs and an inorganic perovskite (IP) single crystal by measuring nanoindentation creep and stress relaxation. The observation of pop-in events and slip bands on the surface of the indented crystals demonstrate dislocation-mediated plastic deformation. The magnitudes of creep and relaxation of both HOIPs and IPs are similar, negating prior hypothesis that the presence of organic A-site cations alters the mechanical response of these materials. Moreover, these samples exhibit a pronounced increase in creep, and stress relaxation as a function of indentation rate whose magnitudes reflect differences in the rates of nucleation and propagation of dislocations within the crystal structures of HOIPs and IP. This contribution provides understanding that is critical for designing perovskite devices capable of withstanding mechanical deformations.

  14. 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.

  15. 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.

  16. 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...

  17. 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.

  18. 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)

  19. 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

  20. 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.

  1. 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.

  2. 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)

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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

  9. 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)

  10. 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)

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. 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.

  16. Theory of electron–phonon–dislon interacting system—toward a quantized theory of dislocations

    Science.gov (United States)

    Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; Andrejevic, Nina; Zhu, Yimei; Mahan, Gerald D.; Chen, Gang

    2018-02-01

    We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a ‘dislon’. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron–dislocation and phonon–dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories are derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron–phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation’s long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials’ functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.

  17. Clinical and radiological outcomes after management of traumatic knee dislocation by open single stage complete reconstruction/repair

    Directory of Open Access Journals (Sweden)

    Lorez Lukas G

    2010-05-01

    Full Text Available Abstract Background The purpose of our study was to analyze the clinical and radiological long-term outcomes of surgically treated traumatic knee dislocations and determine prognostic factors for outcome. Methods Retrospective consecutive series of patients treated surgically for traumatic knee dislocation with reconstruction/refixation of the anterior (ACL and posterior cruciate ligaments (PCL and primary complete repair of collaterals and posteromedial and posteromedial corner structures. 68 patients were evaluated clinically (IKDC score, SF36 health survey, Lysholm score, Knee Society score, Tegner score, visual analogue scale - VAS pain and satisfaction, Cooper test and radiologically (weight bearing and stress radiographs with a mean follow up of 12 ± 8 years. Instrumented anterior-posterior translation was measured (Rolimeter, KT-1000. Pearson correlation and stepwise regression analysis was used. Results 82% of patients (n = 56 returned to their previous work. At final follow-up 6 patients (9% suffered from pain VAS > 3. The mean side-to-side difference of anterior/posterior translation (KT-1000, 134N was 1.6 ± 1.6 mm and 2.6 ± 1.4 mm. Valgus and varus stress testing in 30° flexion was 40 days were significantly associated with worse outcome (p Conclusions Early complete reconstruction can achieve good functional results and patient satisfaction with overall restoration of sports and working capacity. Negative predictive factors for outcome were injury pattern, type of surgical procedure and timing of surgery.

  18. Synthesis, growth, physicochemical properties and DFT calculations of 2-naphthol substituted Mannich base 1-(morpholino(phenyl) methyl) naphthalen-2-ol: A non linear optical single crystal

    Science.gov (United States)

    Dennis Raj, A.; Jeeva, M.; Shankar, M.; Venkatesa Prabhu, G.; Vimalan, M.; Vetha Potheher, I.

    2017-11-01

    2-Naphthol substituted Mannich base 1-morpholino(phenyl)methyl)naphthalen-2-ol (MPMN), a potential NLO active organic single crystal was developed using acetonitrile as a solvent by slow evaporation method. The experimental and theoretical analysis made towards the exploitation in the field of electro-optic and NLO applications. The cubic structure with non-centrosymmetric space group Cc was confirmed and cell dimensions of the grown crystal were obtained from single crystal X-ray diffraction (XRD) study. The formation of the Csbnd Nsbnd C vibrational band at 1115 cm-1 in Fourier Transform Infra-Red (FTIR) analysis confirms the formation of MPMN compound. The placement of protons and carbons of MPMN were identified from Nuclear Magnetic Resonance Spectroscopy (NMR) analysis. The wide optical absorption window and the lower cutoff wavelength of MPMN show the suitability of the material for the various laser related applications. The presence of dislocations and growth pattern of crystal were analyzed using chemical etching technique. The Second Harmonic Generation (SHG) of MPMN was found to be 1.57 times greater than the standard KDP crystal. The laser damage threshold was measured by using Nd: YAG laser beam passed through the sample and it was found to be 1.006 GW/cm2. The electronic structure of the molecular system and the optical properties were also studied from quantum chemical calculations using Density Functional Theory (DFT) and reported for the first time.

  19. 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...

  20. 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...

  1. 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)...

  2. 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...

  3. 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

  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. 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 ...

  6. 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 ...

  7. 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 ...

  8. 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.

  9. 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.

  10. 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.)

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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)

  16. 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.

  17. 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.

  18. Femtosecond laser irradiation of olivine single crystals: Experimental simulation of space weathering

    Science.gov (United States)

    Fazio, A.; Harries, D.; Matthäus, G.; Mutschke, H.; Nolte, S.; Langenhorst, F.

    2018-01-01

    Space weathering is one of the most common surface process occurring on atmosphere-free bodies such as asteroids and the Moon. It is caused mainly by solar wind irradiation and the impact of micrometeoroids. In order to simulate space weathering effects, in particular those produced by hypervelocity impacts, we produced microcraters via ultra-short (∼100 fs) laser irradiation of crystallographically oriented slices of forsterite-rich (Fo94.7) olivine. The main advantages of the application of a femtosecond laser radiation to reproduce the space weathering effects are (1) the high peak irradiance (1015 W cm-2), which generates the propagation of the shock wave at the nanosecond timescale (i.e., timescale of the micrometeoroid impacts); (2) the rapid transfer of energy to the target material, which avoids the interaction of laser light with the developing vapor plume; (3) a small laser beam, which allows the effects of a single impact to be simulated. The results of our spectroscopic and electron microscopic investigation validate this approach: the samples show strong darkening and reddening of the reflectance spectra and structural damages similar to the natural microcraters found on regolith grains of the Moon and asteroid 25143 Itokawa. Detailed investigations of several microcrater cross-sections by transmission electron microscopy allowed the detection of shock-induced defect microstructures. From the top to the bottom of the grain, the shock wave causes evaporation, melting, solid-state recrystallization, misorientation, fracturing, and the propagation of dislocations with Burgers vectors parallel to [001]. The formation of a short-lived vapor plume causes the kinetic fractionation of the gas and the preferential loss of lighter elements, mostly magnesium and oxygen. The high temperatures within the melt layer and the kinetic loss of oxygen promote the thermal reduction of iron and nickel, which leads to the formation of metallic nanoparticles (npFe0). The

  19. 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.

  20. 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 ...

  1. 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

  2. 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....

  3. 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 ...

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Microtwins and their effect on accumulation of excess dislocation density in grains with different types of crystal lattice bending in deformed austenitic steel

    Energy Technology Data Exchange (ETDEWEB)

    Gibert, Ivan, E-mail: gibert1993@mail.ru [National Research Tomsk Polytechnic University, 30, Lenin Ave., 634050, Tomsk (Russian Federation); Kiseleva, Svetlana, E-mail: kisielieva1946@mail.ru; Popova, Natalya, E-mail: natalya-popova-44@mail.ru; Koneva, Nina, E-mail: koneva@tsuab.ru; Kozlov, Eduard, E-mail: kozlov@tsuab.ru [Tomsk State University of Architecture and Building, 2, Solyanaya Sq., 634003, Tomsk (Russian Federation)

    2016-01-15

    The investigation of excess dislocation density accumulation in the deformed polycrystalline austenitic steel was carried out using transmission electron microscopy (TEM). The distributions of the excess dislocation density in the grains of the deformed austenitic steel with different bending types were obtained and plotted. It was established that in the austenitic polycrystalline steel at the deformation degrees ε = 14 and 25 % the distributions of the excess dislocation density are multimodal. In both cases the grain with compound bending is more stressed. The values of the average excess dislocation density in the grains with the compound and simple bending are less at ε = 25 % than that at ε = 14 %. This is explained by a significant relaxation of the internal stresses in steel with the increase of the deformation degree from 14 % to 25 %. The increase of the number of twinning systems and the material volume fraction covered by twinning leads to the internal stress relaxation and consequently to the increase of the excess dislocation density. The presence of microtwins in the deformed material has an influence on the distribution of the excess dislocation density. In the deformed polycrystalline austenitic steel the number of grains with compound bending is increased with the increase of the plastic deformation degree.

  17. 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.

  18. Epitaxial growth of bcc-FexCo100-x thin films on MgO(1 1 0) single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Nishiyama, Tsutomu; Shikada, Kouhei; Kirino, Fumiyoshi; Futamoto, Masaaki

    2010-01-01

    Fe x Co 100-x (x=100, 65, 50 at%) epitaxial thin films were prepared on MgO(1 1 0) single-crystal substrates heated at 300 deg. C by ultra-high vacuum molecular beam epitaxy. The film structure and the growth mechanism are discussed. FeCo(2 1 1) films with bcc structure grow epitaxially on MgO(1 1 0) substrates with two types of variants whose orientations are rotated around the film normal by 180 deg. each other for all compositions. Fe x Co 100-x film growth follows the Volmer Weber mode. X-ray diffraction analysis indicates the out-of-plane and the in-plane lattice spacings are in agreement with the values of respective bulk Fe x Co 100-x crystals with very small errors less than ±0.4%, suggesting the strains in the films are very small. High-resolution cross-sectional transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the film at the Fe 50 Co 50 /MgO interface along the MgO[1 1-bar 0] direction. The presence of such periodical dislocations decreases the large lattice mismatch of about -17% existing at the FeCo/MgO interface along the MgO[1 1-bar 0] direction.

  19. 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)

  20. 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.

  1. 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 ...

  2. 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.

  3. Influence of cutting parameters on the depth of subsurface deformed layer in nano-cutting process of single crystal copper.

    Science.gov (United States)

    Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Su, Hao; Wang, Zhiguo; Xie, Wenkun

    2015-12-01

    Large-scale molecular dynamics simulation is performed to study the nano-cutting process of single crystal copper realized by single-point diamond cutting tool in this paper. The centro-symmetry parameter is adopted to characterize the subsurface deformed layers and the distribution and evolution of the subsurface defect structures. Three-dimensional visualization and measurement technology are used to measure the depth of the subsurface deformed layers. The influence of cutting speed, cutting depth, cutting direction, and crystallographic orientation on the depth of subsurface deformed layers is systematically investigated. The results show that a lot of defect structures are formed in the subsurface of workpiece during nano-cutting process, for instance, stair-rod dislocations, stacking fault tetrahedron, atomic clusters, vacancy defects, point defects. In the process of nano-cutting, the depth of subsurface deformed layers increases with the cutting distance at the beginning, then decreases at stable cutting process, and basically remains unchanged when the cutting distance reaches up to 24 nm. The depth of subsurface deformed layers decreases with the increase in cutting speed between 50 and 300 m/s. The depth of subsurface deformed layer increases with cutting depth, proportionally, and basically remains unchanged when the cutting depth reaches over 6 nm.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. Effect of pre-existing immobile dislocations on the evolution of geometrically necessary dislocations during fatigue

    Science.gov (United States)

    Irastorza-Landa, Ainara; Grilli, Nicolò; Van Swygenhoven, Helena

    2017-07-01

    The role of pre-existing mobile and immobile dislocation densities on the evolution of geometrical necessary dislocation densities (GNDs) during cyclic fatigue in shear is studied using a continuum dislocation-based model incorporated in a crystal plasticity finite element scheme. Clusters with different immobile dislocation densities are implemented in a homogeneous medium containing a certain mobile dislocation density. It is found that whether GND walls are formed around the initial immobile cluster (or not) strongly depends on the absolute values of initial mobile dislocation density and on the ratio between mobile and immobile densities. The results are discussed in terms of the apparent GND densities experimentally obtained using Laue micro-diffraction.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Molecular beam epitaxy of single crystal colossal magnetoresistive material

    International Nuclear Information System (INIS)

    Eckstein, J.N.; Bozovic, I.; Rzchowski, M.; O'Donnell, J.; Hinaus, B.; Onellion, M.

    1996-01-01

    The authors have grown films of (LaSr)MnO 3 (LSMO) and (LaCa)MnO 3 (LCMO) using atomic layer-by-layer molecular beam epitaxy (ALL-MBE). Depending on growth conditions, substrate lattice constant and the exact cation stoichiometry, the films are either pseudomorphic or strain relaxed. The pseudomorphic films show atomically flat surfaces, with a unit cell terrace structure that is a replica of that observed on the slightly vicinal substrates, while the strain relaxed films show bumpy surfaces correlated with a dislocation network. All films show tetragonal structure and exhibit anisotropic magnetoresistance, with a low field response, (1/R)(dR/dH) as large as 5 T -1

  15. 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 ...

  16. 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.

  17. 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...

  18. 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.

  19. 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.

  20. Dislocation mechanism of acoustic anomalies in superconducting niobium

    International Nuclear Information System (INIS)

    Pal-Val, P.P.; Natsik, V.D.; Pal-Val, L.N.; Kustova, T.V.

    1996-01-01

    The temperature and magnetic field dependences of low-frequency ultrasound absorption in niobium single crystals of different purity have been investigated in the temperature range 2 to 12 K. It is shown for the first time that the unusual sound absorption behaviour, which was previously observed in niobium at the transition from the superconducting (s-) to the normal (n-) state (via the mixed (m-) state), can be explained by the presence of an acoustic relaxation peak at these temperatures and by an anomalous shift of this peak during the s-m-n transition. A theory of the relaxation based on the model of resonant interaction of sound with dislocation kink chains, generated in screw dislocations under the action of thermoelastic stresses during rapid sample cooling, is suggested. (orig.)