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Sample records for model single crystal

  1. An analytical model for porous single crystals with ellipsoidal voids

    Science.gov (United States)

    Mbiakop, A.; Constantinescu, A.; Danas, K.

    2015-11-01

    A rate-(in)dependent constitutive model for porous single crystals with arbitrary crystal anisotropy (e.g., FCC, BCC, HCP, etc.) containing general ellipsoidal voids is developed. The proposed model, denoted as modified variational model (MVAR), is based on the nonlinear variational homogenization method, which makes use of a linear comparison porous material to estimate the response of the nonlinear porous single crystal. Periodic multi-void finite element simulations are used in order to validate the MVAR for a large number of parameters including cubic (FCC, BCC) and hexagonal (HCP) crystal anisotropy, various creep exponents (i.e., nonlinearity), several stress triaxiality ratios, general void shapes and orientations and various porosity levels. The MVAR model, which involves a priori no calibration parameters, is found to be in good agreement with the finite element results for all cases considered in the rate-dependent context. The model is then used in a predictive manner to investigate the complex response of porous single crystals in several cases with strong coupling between the anisotropy of the crystal and the (morphological) anisotropy induced by the shape and orientation of the voids. Finally, a simple way of calibrating the MVAR with just two adjustable parameters is depicted in the rate-independent context so that an excellent agreement with the FE simulation results is obtained. In this last case, this proposed model can be thought as a generalization of the Gurson model in the context of porous single crystals and general ellipsoidal void shapes and orientations.

  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. Constitutive Model for an FCC Single-Crystal Material

    Institute of Scientific and Technical Information of China (English)

    DING Zhi-ping; LIU Yi-lun; YIN Ze-yong; YANG Zhi-guo; CHENG Xiao-ming

    2006-01-01

    Talking into account the effects that the components of tension stresses couple with components of torsion stresses when off-axis loads are applied to orthotropic materials.Hill's yield criterion for plastically orthotropic solids is modified by adding an invariant that is composed of the product item of quadratic components of the deviatoric siress tensor,and a new yield criteflon is put forward in terms of the characteristics of the face-centered cubic(FCC) single-crystal material.The correlation of prediction and experiments is very good.and the new criterion is used to predict the yield stresses of an intemal single-crystal,Nickel-based superalloy,DD3,which is more accurate than that Of Hill's at 760°C.Equivalent stress and strain that adapt to the new criterion are defined.Thinking of the yield function as a plastic potential function from the associated flow rule.the elastic-plastic constitutive model for the FCC single-crystal material is constructed,and the corresponding elastic-plastic matrix iseduced.The new yield criterion and its equivalent stress and strain will be reduced to Von Mises' yield criterion and corresponding equivalent stress and strain for isotropic materials.

  4. Modeling the anisotropic shock response of single-crystal RDX

    Science.gov (United States)

    Luscher, Darby

    Explosives initiate under impacts whose energy, if distributed homogeneously throughout the material, translates to temperature increases that are insufficient to drive the rapid chemistry observed. Heterogeneous thermomechanical interactions at the meso-scale (i.e. between single-crystal and macroscale) leads to the formation of localized hot spots. Direct numerical simulations of mesoscale response can contribute to our understanding of hot spots if they include the relevant deformation mechanisms that are essential to the nonlinear thermomechanical response of explosive molecular crystals. We have developed a single-crystal model for the finite deformation thermomechanical response of cyclotrimethylene trinitramine (RDX). Because of the low symmetry of RDX, a complete description of nonlinear thermoelasticity requires a careful decomposition of free energy into components that represent the pressure-volume-temperature (PVT) response and the coupling between isochoric deformation and both deviatoric and hydrostatic stresses. An equation-of-state (EOS) based on Debye theory that defines the PVT response was constructed using experimental data and density functional theory calculations. This EOS replicates the equilibrium states of phase transformation from alpha to gamma polymorphs observed in static high-pressure experiments. Lattice thermoelastic parameters defining the coupled isochoric free energy were obtained from molecular dynamics calculations and previous experimental data. Anisotropic crystal plasticity is modeled using Orowan's expression relating slip rate to dislocation density and velocity. Details of the theory will be presented followed by discussion of simulations of flyer plate impact experiments, including recent experiments diagnosed with in situ X-ray diffraction at the Advanced Photon Source. Impact conditions explored within the experimental effort have spanned shock pressures ranging from 1-10 GPa for several crystallographic orientations

  5. Modeling of elastic and plastic waves for HCP single crystals in a 3D formulation based on zinc single crystal

    Science.gov (United States)

    Krivosheina, Marina; Kobenko, Sergey; Tuch, Elena; Kozlova, Maria

    2016-11-01

    This paper investigates elastic and plastic waves in HCP single crystals through the numerical simulation of strain processes in anisotropic materials based on a zinc single crystal. Velocity profiles for compression waves in the back surfaces of single-crystal zinc plates with impact loading oriented in 0001 and 10 1 ¯0 are presented in this work as a part of results obtained in numerical simulations. The mathematical model implemented in this study reflects the following characteristics of the mechanical properties inherent in anisotropic (transtropic) materials: varying degree of anisotropy of elastic and plastic properties, which includes reverse anisotropy, dependence of distribution of all types of waves on the velocity orientation, and the anisotropy of compressibility. Another feature of elastic and plastic waves in HCP single crystals is that the shock wave does not split into an elastic precursor and "plastic" compression shock wave, which is inherent in zinc single crystals with loading oriented in 0001. The study compares numerical results obtained in a three-dimensional formulation with the results of velocity profiles from the back surfaces of target plates obtained in real experiments. These results demonstrate that the mathematical model is capable of describing the properties of the above-mentioned anisotropic (transtropic) materials.

  6. Modelling of Heat Transfer in Single Crystal Growth

    CERN Document Server

    Zhmakin, Alexander I

    2014-01-01

    An attempt is made to review the heat transfer and the related problems encountered in the simulation of single crystal growth. The peculiarities of conductive, convective and radiative heat transfer in the different melt, solution, and vapour growth methods are discussed. The importance of the adequate description of the optical crystal properties (semitransparency, specular reflecting surfaces) and their effect on the heat transfer is stresses. Treatment of the unknown phase boundary fluid/crystal as well as problems related to the assessment of the quality of the grown crystals (composition, thermal stresses, point defects, disclocations etc.) and their coupling to the heat transfer/fluid flow problems is considered. Differences between the crystal growth simulation codes intended for the research and for the industrial applications are indicated. The problems of the code verification and validation are discussed; a brief review of the experimental techniques for the study of heat transfer and flow structu...

  7. Modeling of Crystal Orientations in Laser Powder Deposition of Single Crystal Material

    Science.gov (United States)

    Qi, Huan; Liu, Zhaoyang

    This paper presents a numerical model which simulates the dynamic molten pool formation and the crystal orientations of solidified SX alloy in a multi-layer laser powder deposition process. Based on the mathematical model of coaxial laser direct deposition, the effect of parameters (laser power, scanning speed, powder feed rate) on the tendency to form [001] direction expitaxial grains during solidification was evaluated. In the transient three- dimensional model, physical phenomena including heat transfer, melting, grain formation during solidification, mass addition, and fluid flow in the melt pool, were modeled in a self-consistent manner. The temperature fields, fluid flow velocity, clad geometry (width, height and melt pool depth) and grain formation in melting pool of single layer are predicted.

  8. 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.

  9. Phase-field modeling on morphological landscape of isotactic polystyrene single crystals.

    Science.gov (United States)

    Xu, Haijun; Matkar, Rushikesh; Kyu, Thein

    2005-07-01

    Spatio-temporal growth of isotactic polystyrene single crystals during isothermal crystallization has been investigated theoretically based on the phase field model by solving temporal evolution of a nonconserved phase order parameter coupled with a heat conduction equation. In the description of the total free energy, an asymmetric double-well local free energy density has been adopted to represent the metastable melt and the stable solid crystal. Unlike the small molecule systems, polymer crystallization rarely reaches thermodynamic equilibrium; most polymer crystals are kinetically stabilized in some metastable states. To capture various metastable polymer crystals, the phase field crystal order parameter at the solidification potential has been treated to be supercooling dependent such that it can assume an intermediate value between zero (melt) and unity (perfect crystal), reflecting imperfect polycrystalline nature of polymer crystals. Two-dimensional simulations exhibit various single crystal morphologies of isotactic polystyrene crystals such as faceted hexagonal patterns transforming to nonfaceted snowflakes with increasing supercooling. Of particular interest is that heat liberation from the crystallizing front influences the curvature of the crystal-melt interface, leading to directional growth of lamellar tips and side branches. The landscape of these morphological textures has been established as a function of anisotropy of surface energy and supercooling. With increasing supercooling and decreasing anisotropy, the hexagonal single crystal transforms to the dense lamellar branching morphology in conformity with the experimental findings.

  10. Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Zhi, E-mail: zhuang@meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Yoshimura, Hideyuki, E-mail: hyoshi@isc.meiji.ac.jp [Department of Physics, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Aizawa, Mamoru, E-mail: mamorua@isc.meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)

    2013-07-01

    Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel.

  11. Mathematical model for corundum single crystal growth by Verneuil method

    Science.gov (United States)

    Grzymkowski, Radosław; Mochnacki, Bohdan; Suchy, Józef

    1983-05-01

    A mathematical model which is an attempt to describe the complex process of monocrystallization by the Verneuil method is presented. The problem has been solved through the method of finite differences and at the same time making use of a certain modification of the mathematical description of Stefan's problem called the the alternating phase truncation method [9]. The elaborated algorithm and the examples of solutions given at the end of the present study point at the usefulness of the presented method of numerical simulation for modern designing and controlling the processes of crystal production.

  12. A physically based constitutive model for FCC single crystals with a single state variable per slip system

    Science.gov (United States)

    Demir, Eralp

    2017-01-01

    A new, simple and physically consistent dislocation-density-based continuum model is developed in a large-strain crystal plasticity framework. All the constitutive laws are expressed in a simple and unique way in terms of a single state variable dislocation density. The proposed physically based model predicts experimental single-crystal stress-strain curves along different crystal directions more accurately than a classical model with widely accepted constitutive laws. The polycrystal texture predictions from the dislocation-density-based and classical models having the same single-crystal stress-strain characteristics are in good agreement with the classical model when Taylor-type homogenization is used in conjunction with enough number of grains.

  13. Modeling grown-in dislocation multiplication on prismatic slip planes for GaN single crystals

    Science.gov (United States)

    Gao, B.; Kakimoto, K.

    2015-01-01

    To dynamically model the grown-in dislocation multiplication on prismatic slip planes for GaN single crystal growth, the Alexander-Haasen (AH) model, which was originally used to model the plastic deformation of silicon crystals, is extended to GaN single crystals. By fitting the model to the experimental data, we found that it can accurately describe the plastic deformation of GaN caused by prismatic slip. A set of unified parameters for the AH model at different temperatures can be found. This model provides a possible method to minimize grown-in dislocations caused due to prismatic slip by optimizing growing and cooling conditions during GaN single crystal growth.

  14. ON PLASTIC ANISOTROPY OF CONSTITUTIVE MODEL FOR RATE-DEPENDENT SINGLE CRYSTAL

    Institute of Scientific and Technical Information of China (English)

    张光; 张克实; 冯露

    2005-01-01

    An algorithm for single crystals was developed and implemented to simulate plastic anisotropy using a rate-dependent slip model. The proposed procedure was a slightly modified form of single crystal constitutive model of Sarma and Zacharia. Modified Euler method, together with Newton-Raphson method was used to integrate this equation which was stable and efficient. The model together with the developed algorithm was used to study three problems. First, plastic anisotropy was examined by simulating the crystal deformation in tension and plane strain compression, respectively. Secondly, the orientation effect of some material parameters in the model and applied strain rate on plastic anisotropy for single crystal also is investigated. Thirdly, the influence of loading direction on the active slip system was discussed.

  15. A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

    Energy Technology Data Exchange (ETDEWEB)

    Addessio, Francis L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bronkhorst, Curt Allan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bolme, Cynthia Anne [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Explosive Science and Shock Physics Division; Brown, Donald William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Cerreta, Ellen Kathleen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lebensohn, Ricardo A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lookman, Turab [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Luscher, Darby Jon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Mayeur, Jason Rhea [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Morrow, Benjamin M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Rigg, Paulo A. [Washington State Univ., Pullman, WA (United States). Dept. of Physics. Inst. for Shock Physics

    2016-08-09

    An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientations relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.

  16. Atomistic modeling of different loading paths in single crystal copper and aluminum

    Directory of Open Access Journals (Sweden)

    R. Pezer

    2016-10-01

    Full Text Available Utilizing molecular dynamics (MD integration model we have investigated some of the relevant physical processes caused by different loading paths at the atomic level in Cu and Al monocrystal specimen. Interactions among the atoms in the bulk are modeled with the standard realistic Embedded Atom Method (EAM potentials. MD simulation gives us the detailed information about non-equilibrium dynamics including crystal structure defects, vacancies and dislocations. In particular, we have obtained result that indicate increase in the total energy of the crystal during loading (especially cyclic that provides us direct quantitative evidence of the metal weakening. For the basic response, we have deformed copper and aluminum single crystal according to the simple loading path and a series of multiaxial loading-paths including cyclic repetition. We compute equivalent stress-strain diagrams as well as dislocation total length vs time graphs to describe signatures of the anisotropic response of the crystal

  17. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    Energy Technology Data Exchange (ETDEWEB)

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  18. Theoretical Strength of Face-Centred-Cubic Single Crystal Copper Based on a Continuum Model

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-Ming; LIU Zhan-Li; YOU Xiao-Chuan; NIE Jun-Feng; ZHUANG Zhuo

    2009-01-01

    The constitutive relation of single crystal copper based on atomistic potential is implemented to capture the nonlinear inter-atomic interactions. Uniaxial loading tests of single crystal copper with inter-atomic potential finite-element model are carried out to determine the corresponding ideal strength using the modified Born stability criteria. Dependence of the ideal strength on the crystallographic orientation is studied, and tension-compression asymmetry in ideal strength is also investigated. The results suggest that asymmetry for yielding strength of nano-materials may result from anisotropic character of crystal instability. Moreover, the results also reveal that the critical resolved shear stress in the direction of slip is not an accurate criterion for the ideal strength since it could not capture the dependence on the loading conditions and hydrostatic stress components for the ideal strength.

  19. Constitutive modeling of creep behavior in single crystal superalloys: Effects of rafting at high temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Ya-Nan, E-mail: fanyn12@mails.tsinghua.edu.cn; Shi, Hui-Ji, E-mail: shihj@mail.tsinghua.edu.cn; Qiu, Wen-Hui

    2015-09-17

    Rafting and creep modeling of single crystal superalloys at high temperatures are important for the safety assessment and life prediction in practice. In this research, a new model has been developed to describe the rafting evolution and incorporated into the Cailletaud single crystal plasticity model to simulate the creep behavior. The driving force of rafting is assumed to be the relaxation of the strain energy, and it is calculated with the local stress state, a superposition of the external and misfit stress tensors. In addition, the isotropic coarsening is introduced by the cube root dependence of the microstructure periodicity on creep time based on Ostwal ripening. Then the influence of rafting on creep deformation is taken into account as the Orowan stress in the single crystal plasticity model. The capability of the proposed model is validated with creep experiments of CMSX-4 at 950 °C and 1050 °C. It is able to predict the rafting direction at complex loading conditions and evaluate the channel width during rafting. For [001] tensile creep tests, good agreement has been shown between the model predictions and experimental results at different temperatures and stress levels. The creep acceleration can be captured with this model and is attributed to the microstructure degradation caused by the precipitate coarsening.

  20. A temperature-dependent surface free energy model for solid single crystals

    Science.gov (United States)

    Cheng, Tianbao; Fang, Daining; Yang, Yazheng

    2017-01-01

    A temperature-dependent theoretical model for the surface free energy of the solid single crystals is established. This model relates the surface free energy at the elevated temperatures to that at the reference temperature, the temperature-dependent specific heat at constant pressure and coefficient of the linear thermal expansion, the heat of phase transition, the melting heat, and the vapor heat. As examples, the surface free energies of Fe, Cu, Al, Ni, and Pb from 0 K to melting points are calculated and are in reasonable agreement with these from Tyson's theories and the experimental results. This model has obvious advantages compared to Tyson's semi-empirical equations from the aspect of physical meaning, applicable condition, and accuracy. The study shows that the surface free energy of the solid single crystals firstly remains approximately constant and then decreases linearly as temperature increases from 0 K to melting point.

  1. Deformation twinning in small-sized face-centred cubic single crystals: Experiments and modelling

    Science.gov (United States)

    Liang, Z. Y.; Huang, M. X.

    2015-12-01

    Small-sized crystals generally show deformation behaviour distinct from their bulk counterparts. In addition to dislocation slip, deformation twinning in small-sized face-centred cubic (FCC) single crystals has been reported to follow a different mechanism which involves coherent emission of partial dislocations on successive { 111 } planes from free surface. The present work employed a twinning-induced plasticity (TWIP) steel with a low stacking fault energy to systematically investigate the twin evolution in small-sized FCC single crystals. Micrometre-sized single crystal pillars of TWIP steel were fabricated by focus ion beam and then strained to different levels by compression experiments. Detailed transmission electron microscopy characterization was carried out to obtain a quantitative evaluation of the deformation twins, which contribute to most of the plastic strain. Emissions of partial dislocations from free surface (surface sources) and pre-existing perfect dislocations inside the pillar (inner sources) are found as the essential processes for the formation of deformation twins. Accordingly, a physically-based model, which integrates source introduction methods and source activation criterions for partial dislocation emission, is developed to quantitatively predict the twin evolution. The model is able to reproduce the experimental twin evolution, in terms of the total twin formation, the twin morphology and the occurrence of twinning burst.

  2. Evolution of dislocation structure and modelling of deformation resistance in CaF2 single crystals

    OpenAIRE

    Sadrabadi, Peiman

    2007-01-01

    he evolution of dislocation structure during plastic deformation in pure 111}-oriented CaF2 single crystals was investigated at constant strain rate (10−5 s−1) and constant stress (1 < / MPa < 22) in the temperature range of 0.5 < T/Tm < 0.8. The steady state and transient deformation behavior of the material is described by the composite model on the basis of microstructural data. In the following sections the important conclusions are briefly summarized. Microstructure evolution...

  3. Structure defect prediction of single crystal turbine blade by dendrite envelope tracking model

    Institute of Scientific and Technical Information of China (English)

    WANG Tong-min; Itsuo OHNAKA; Hideyuki YASUDA; SU Yan-qing; GUO Jing-jie

    2006-01-01

    The structure defects such as stray grains during unidirectional solidification can severely reduce the performance of single crystal turbine blades. A dendrite envelope tracking model is developed for predicting the structure defects of unidirectional solidification turbine blade. The normal vector of dendrite envelope is estimated by the gradient of dendrite volume fraction,and the growth velocity of the dendrite envelope (dendrite tips) is calculated with considering the anisotropy of grain growth. The solute redistribution at dendrite envelope is calculated by introducing an effective solute partition coefficient. Simulation tests show that the solute-build-up due to the rejection at envelope greatly affects grain competition and consequently solidification structure. The model is applied to predict the structure defects (e.g. stray grain) of single crystal turbine blade during unidirectional solidification. The results show that the developed model is reliable and has the following abilities: reproduce the growth competition among the different-preferential-direction grains:predict the stray grain formation:simulate the structure evolution (single crystal or dendrite grains).

  4. Increasing 13C CP-MAS NMR resolution using single crystals: application to model octaethyl porphyrins.

    Science.gov (United States)

    Dugar, Sneha; Fu, Riqiang; Dalal, Naresh S

    2012-08-02

    Octaethyl porphyrin (OEP) and its Ni and Zn derivatives are considered as model compounds in biochemical, photophysical, and fossil fuel chemistry. They have thus been investigated by high-resolution solid-state (13)C NMR using powders, but peak assignment has been difficult because of large line widths. Arguing that a significant cause of broadening might be the anisotropic bulk magnetic susceptibility, we utilized single crystals in our (13)C cross-polarization magic angle spinning (CP-MAS) measurements and observed a nearly 2-fold line narrowing. This enhanced resolution enabled us to assign chemical shifts to each carbon for all the three compounds. The new assignments are now in agreement with X-ray structural data and allowed us to probe the motional dynamics of the methyl and methylene carbons of the OEP side chains. It is apparent that the use of single crystals in (13)C CP-MAS measurements has a significantly wider impact than previously thought.

  5. SURFACE ROUGHNESS PREDICTION MODEL FOR ULTRAPRECISION TURNING ALUMINIUM ALLOYWITH A SINGLE CRYSTAL DIAMOND TOOL

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A surface roughness model utilizing regression analysis method is developed for predicting roughness of ultraprecision machined surface with a single crystal diamond tool. The effects of the main variables,such as cutting speed,feed,and depth of cut on surface roughness are also analyzed in diamond turning aluminum alloy. In order to predict and control the surface roughness before ultraprecision machining,constrained variable metric method is used to select the optimum cutting conditions during process planning. A lot of experimental results show that the model can predict the surface roughness effectively under a certain cutting conditions .

  6. Two- and three-dimensional models for analysis of optical absorption in tungsten disulphide single crystals

    Indian Academy of Sciences (India)

    Dhairya A Dholakia; G K Solanki; S G Patel; M K Agarwal

    2001-06-01

    The optical energy gaps of WS2 single crystal were determined from the analysis of the absorption spectrum near the fundamental absorption edge at room temperature using light parallel to -axis incident normally on the basal plane. On the basis of two- and three-dimensional models it was found that both direct and indirect band transitions took place in WS2 and the indirect transition was of the allowed type. The optical energy gaps corresponding to both transitions were determined and the phonon energies associated with the indirect transitions estimated. The implications of the results have been discussed.

  7. A thermal-mechanical constitutive model for b-HMX single crystal and cohesive interface under dynamic high pressure loading

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Due to the significant thermal-mechanical effects during hot spot formation in PBX explosives,a thermodynamic constitutive model has been constructed for HMX anisotropic single crystal subjected to dynamic impact loading. The crystal plasticity model based on dislocation dynamics theory was employed to describe the anisotropic plastic behavior along the preferential slip systems. A modified equation of state (EOS) was introduced into the constitutive equations through the decomposing stress tensor and the nonlinear elasticity for materials was taken into account. The one-dimensional strain impact simulations for HMX single crystal and quasi-bicrystal were performed respectively,in which the cohesive elements were inserted over the interface areas for the latter. The predicted particle velocities for the single crystal sample agreed well with the experimental results in the literature. Furthermore,the effects of crystal orientations,interface,misorientations on localized strain,stress and temperature distributions were predicted and discussed.

  8. Numerical modelling of micro-machining of f.c.c. single crystal: Influence of strain gradients

    KAUST Repository

    Demiral, Murat

    2014-11-01

    A micro-machining process becomes increasingly important with the continuous miniaturization of components used in various fields from military to civilian applications. To characterise underlying micromechanics, a 3D finite-element model of orthogonal micro-machining of f.c.c. single crystal copper was developed. The model was implemented in a commercial software ABAQUS/Explicit employing a user-defined subroutine VUMAT. Strain-gradient crystal-plasticity and conventional crystal-plasticity theories were used to demonstrate the influence of pre-existing and evolved strain gradients on the cutting process for different combinations of crystal orientations and cutting directions. Crown Copyright © 2014.

  9. Multiscale modelling and simulation of single crystal superalloy turbine blade casting during directional solidiifcation process

    Institute of Scientific and Technical Information of China (English)

    Xu Qingyan; Zhang Hang; Liu Baicheng

    2014-01-01

    As the key parts of an aero-engine, single crystal (SX) superalloy turbine blades have been the focus of much attention. However, casting defects often occur during the manufacturing process of the SX turbine blades. Modeling and simulation technology can help to optimize the manufacturing process of SX blades. Multiscale coupled models were proposed and used to simulate the physical phenomena occurring during the directional solidification (DS) process. Coupled with heat transfer (macroscale) and grain growth (meso-scale), 3D dendritic grain growth was calculated to show the competitive grain growth at micro-scale. SX grain selection behavior was studied by the simulation and experiments. The results show that the geometrical structure and technical parameters had strong inlfuences on the grain selection effectiveness. Based on the coupled models, heat transfer, grain growth and microstructure evolution of a complex holow SX blade were simulated. Both the simulated and experimental results show that the stray grain occurred at the platform of the SX blade when a constant withdrawal rate was used in manufacturing process. In order to avoid the formation of the stray crystal, the multi-scale coupled models and the withdrawal rate optimized technique were applied to the same SX turbine blade. The modeling results indicated that the optimized variable withdrawal rate can achieve SX blade castings with no stray grains, which was also proved by the experiments.

  10. Multiscale modelling and simulation of single crystal superalloy turbine blade casting during directional solidification process

    Directory of Open Access Journals (Sweden)

    Xu Qingyan

    2014-07-01

    Full Text Available As the key parts of an aero-engine, single crystal (SX superalloy turbine blades have been the focus of much attention. However, casting defects often occur during the manufacturing process of the SX turbine blades. Modeling and simulation technology can help to optimize the manufacturing process of SX blades. Multiscale coupled models were proposed and used to simulate the physical phenomena occurring during the directional solidification (DS process. Coupled with heat transfer (macroscale and grain growth (meso-scale, 3D dendritic grain growth was calculated to show the competitive grain growth at micro-scale. SX grain selection behavior was studied by the simulation and experiments. The results show that the geometrical structure and technical parameters had strong influences on the grain selection effectiveness. Based on the coupled models, heat transfer, grain growth and microstructure evolution of a complex hollow SX blade were simulated. Both the simulated and experimental results show that the stray grain occurred at the platform of the SX blade when a constant withdrawal rate was used in manufacturing process. In order to avoid the formation of the stray crystal, the multi-scale coupled models and the withdrawal rate optimized technique were applied to the same SX turbine blade. The modeling results indicated that the optimized variable withdrawal rate can achieve SX blade castings with no stray grains, which was also proved by the experiments.

  11. Physical model construction for electrical anisotropy of single crystal zinc oxide micro/nanobelt using finite element method

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Guangbin [The Higher Educational Key Laboratory for Measuring and Control Technology and Instrumentations of Heilongjiang Province, Harbin University of Science and Technology, Harbin 150080 (China); Tang, Chaolong [Department of Metallurgical and Materials Engineering, Center for Materials for Information Technology (MINT), University of Alabama, Tuscaloosa, Alabama 35487 (United States); Song, Jinhui, E-mail: jhsong@eng.ua.edu, E-mail: wqlu@cigit.ac.cn [The Higher Educational Key Laboratory for Measuring and Control Technology and Instrumentations of Heilongjiang Province, Harbin University of Science and Technology, Harbin 150080 (China); Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714 (China); Department of Metallurgical and Materials Engineering, Center for Materials for Information Technology (MINT), University of Alabama, Tuscaloosa, Alabama 35487 (United States); Lu, Wenqiang, E-mail: jhsong@eng.ua.edu, E-mail: wqlu@cigit.ac.cn [Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714 (China)

    2014-04-14

    Based on conductivity characterization of single crystal zinc oxide (ZnO) micro/nanobelt (MB/NB), we further investigate the physical mechanism of nonlinear intrinsic resistance-length characteristic using finite element method. By taking the same parameters used in experiment, a model of nonlinear anisotropic resistance change with single crystal MB/NB has been deduced, which matched the experiment characterization well. The nonlinear resistance-length comes from the different electron moving speed in various crystal planes. As the direct outcome, crystallography of the anisotropic semiconducting MB/NB has been identified, which could serve as a simple but effective method to identify crystal growth direction of single crystal semiconducting or conductive nanomaterial.

  12. Modeling of the effect of intentionally introduced traps on hole transport in single-crystal rubrene

    KAUST Repository

    Dacuña, Javier

    2014-06-05

    Defects have been intentionally introduced in a rubrene single crystal by means of two different mechanisms: ultraviolet ozone (UVO) exposure and x-ray irradiation. A complete drift-diffusion model based on the mobility edge (ME) concept, which takes into account asymmetries and nonuniformities in the semiconductor, is used to estimate the energetic and spatial distribution of trap states. The trap distribution for pristine devices can be decomposed into two well defined regions: a shallow region ascribed to structural disorder and a deeper region ascribed to defects. UVO and x ray increase the hole trap concentration in the semiconductor with different energetic and spatial signatures. The former creates traps near the top surface in the 0.3-0.4 eV region, while the latter induces a wider distribution of traps extending from the band edge with a spatial distribution that peaks near the top and bottom interfaces. In addition to inducing hole trap states in the transport gap, both processes are shown to reduce the mobility with respect to a pristine crystal. © 2014 American Physical Society.

  13. Characterizing new compositions of [001]C relaxor ferroelectric single crystals using a work-energy model

    Science.gov (United States)

    Gallagher, John A.

    2016-04-01

    The desired operating range of ferroelectric materials with compositions near the morphotropic phase boundary is limited by field induced phase transformations. In [001]C cut and poled relaxor ferroelectric single crystals the mechanically driven ferroelectric rhombohedral to ferroelectric orthorhombic phase transformation is hindered by antagonistic electrical loading. Instability around the phase transformation makes the current experimental technique for characterization of the large field behavior very time consuming. Characterization requires specialized equipment and involves an extensive set of measurements under combined electrical, mechanical, and thermal loads. In this work a mechanism-based model is combined with a more limited set of experiments to obtain the same results. The model utilizes a work-energy criterion that calculates the mechanical work required to induce the transformation and the required electrical work that is removed to reverse the transformation. This is done by defining energy barriers to the transformation. The results of the combined experiment and modeling approach are compared to the fully experimental approach and error is discussed. The model shows excellent predictive capability and is used to substantially reduce the total number of experiments required for characterization. This decreases the time and resources required for characterization of new compositions.

  14. The study on the nanomachining property and cutting model of single-crystal sapphire by atomic force microscopy.

    Science.gov (United States)

    Huang, Jen-Ching; Weng, Yung-Jin

    2014-01-01

    This study focused on the nanomachining property and cutting model of single-crystal sapphire during nanomachining. The coated diamond probe is used to as a tool, and the atomic force microscopy (AFM) is as an experimental platform for nanomachining. To understand the effect of normal force on single-crystal sapphire machining, this study tested nano-line machining and nano-rectangular pattern machining at different normal force. In nano-line machining test, the experimental results showed that the normal force increased, the groove depth from nano-line machining also increased. And the trend is logarithmic type. In nano-rectangular pattern machining test, it is found when the normal force increases, the groove depth also increased, but rather the accumulation of small chips. This paper combined the blew by air blower, the cleaning by ultrasonic cleaning machine and using contact mode probe to scan the surface topology after nanomaching, and proposed the "criterion of nanomachining cutting model," in order to determine the cutting model of single-crystal sapphire in the nanomachining is ductile regime cutting model or brittle regime cutting model. After analysis, the single-crystal sapphire substrate is processed in small normal force during nano-linear machining; its cutting modes are ductile regime cutting model. In the nano-rectangular pattern machining, due to the impact of machined zones overlap, the cutting mode is converted into a brittle regime cutting model.

  15. 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.

  16. Nonlocal superelastic model of size-dependent hardening and dissipation in single crystal Cu-Al-Ni shape memory alloys.

    Science.gov (United States)

    Qiao, Lei; Rimoli, Julian J; Chen, Ying; Schuh, Christopher A; Radovitzky, Raul

    2011-02-25

    We propose a nonlocal continuum model to describe the size-dependent superelastic effect observed in recent experiments of single crystal Cu-Al-Ni shape memory alloys. The model introduces two length scales, one in the free energy and one in the dissipation, which account for the size-dependent hardening and dissipation in the loading and unloading response of micro- and nanopillars subject to compression tests. The information provided by the model suggests that the size dependence observed in the dissipation is likely to be associated with a nonuniform evolution of the distribution of the austenitic and martensitic phases during the loading cycle.

  17. Crystal ball single event display

    Energy Technology Data Exchange (ETDEWEB)

    Grosnick, D.; Gibson, A. [Valparaiso Univ., IN (United States). Dept. of Physics and Astronomy; Allgower, C. [Argonne National Lab., IL (United States). High Energy Physics Div.; Alyea, J. [Valparaiso Univ., IN (United States). Dept. of Physics and Astronomy]|[Argonne National Lab., IL (United States). High Energy Physics Div.

    1997-10-15

    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 {pi}{sup o}`s and {eta}`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.

  18. An improved single crystal adsorption calorimeter for determining gas adsorption and reaction energies on complex model catalysts

    Science.gov (United States)

    Fischer-Wolfarth, Jan-Henrik; Hartmann, Jens; Farmer, Jason A.; Flores-Camacho, J. Manuel; Campbell, Charles T.; Schauermann, Swetlana; Freund, Hans-Joachim

    2011-02-01

    A new ultrahigh vacuum microcalorimeter for measuring heats of adsorption and adsorption-induced surface reactions on complex single crystal-based model surfaces is described. It has been specifically designed to study the interaction of gaseous molecules with well-defined model catalysts consisting of metal nanoparticles supported on single crystal surfaces or epitaxial thin oxide films grown on single crystals. The detection principle is based on the previously described measurement of the temperature rise upon adsorption of gaseous molecules by use of a pyroelectric polymer ribbon, which is brought into mechanical/thermal contact with the back side of the thin single crystal. The instrument includes (i) a preparation chamber providing the required equipment to prepare supported model catalysts involving well-defined nanoparticles on clean single crystal surfaces and to characterize them using surface analysis techniques and in situ reflectivity measurements and (ii) the adsorption/reaction chamber containing a molecular beam, a pyroelectric heat detector, and calibration tools for determining the absolute reactant fluxes and adsorption heats. The molecular beam is produced by a differentially pumped source based on a multichannel array capable of providing variable fluxes of both high and low vapor pressure gaseous molecules in the range of 0.005-1.5 × 1015 molecules cm-2 s-1 and is modulated by means of the computer-controlled chopper with the shortest pulse length of 150 ms. The calorimetric measurements of adsorption and reaction heats can be performed in a broad temperature range from 100 to 300 K. A novel vibrational isolation method for the pyroelectric detector is introduced for the reduction of acoustic noise. The detector shows a pulse-to-pulse standard deviation ≤15 nJ when heat pulses in the range of 190-3600 nJ are applied to the sample surface with a chopped laser. Particularly for CO adsorption on Pt(111), the energy input of 15 nJ (or 120 nJ cm

  19. Stacking fault energy in some single crystals

    Institute of Scientific and Technical Information of China (English)

    Aditya M.Vora

    2012-01-01

    The stacking fault energy of single crystals has been reported using the peak shift method.Presently studied all single crystals are grown by using a direct vapor transport (DVT) technique in the laboratory.The structural characterizations of these crystals are made by XRD.Considerable variations are shown in deformation (α) and growth (β) probabilities in single crystals due to off-stoichiometry,which possesses the stacking fault in the single crystal.

  20. Neutron detection with single crystal organic scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, N; Newby, J; Hamel, S; Carman, L; Faust, M; Lordi, V; Cherepy, N; Stoeffl, W; Payne, S

    2009-07-15

    Detection of high-energy neutrons in the presence of gamma radiation background utilizes pulse-shape discrimination (PSD) phenomena in organics studied previously only with limited number of materials, mostly liquid scintillators and single crystal stilbene. The current paper presents the results obtained with broader varieties of luminescent organic single crystals. The studies involve experimental tools of crystal growth and material characterization in combination with the advanced computer modeling, with the final goal of better understanding the relevance between the nature of the organic materials and their PSD properties. Special consideration is given to the factors that may diminish or even completely obscure the PSD properties in scintillating crystals. Among such factors are molecular and crystallographic structures that determine exchange coupling and exciton mobility in organic materials and the impurity effect discussed on the examples of trans-stilbene, bibenzyl, 9,10-diphenylanthracene and diphenylacetylene.

  1. Microhardness studies of sulfamic acid single crystal

    Science.gov (United States)

    Santhosh Kumar, A.; Joseph, Cyriac; Paulose, Reshmi; R, Rajesh; Joseph, Georgekutty; Louis, Godfrey

    2015-02-01

    Vicker's microhardness study of (100), (010) and (001) faces of a non-linear optical crystal sulfamic acid have been reported. Single crystals of sulfamic acid have been grown by slow evaporation method. The load dependence of the Vickers microhardness of sulfamic acid crystal were investigated and analyzed from the stand point of various theoretical models. Crystal samples in a, b and c-axes exhibit reverse indentation effect which is best described by Meyer's law, Hays-Kendall's approach and proportional specimen resistance (PSR) models. The negative values of load dependent quantities in Hays-Kendall's approach and PSR model suggest that the origin of indentation size effect is associated with the process of relaxation of indentation stresses.

  2. Applicability of the three-dimensional Alexander-Haasen model for the analysis of dislocation distributions in single-crystal silicon

    Science.gov (United States)

    Gao, B.; Jiptner, K.; Nakano, S.; Harada, H.; Miyamura, Y.; Sekiguchi, T.; Kakimoto, K.

    2015-02-01

    Applicability of the three-dimensional Alexander-Haasen (AH) model for the analysis of dislocation distributions in single-crystal silicon has been estimated. The numerical results obtained from the AH model agree well with the experimental data for both CZ-Si and FZ-Si crystals with the axis in the [001] direction but do not completely agree with the experimental data for the FZ-Si crystal with the axis in the [111] direction. The inapplicability of the AH model in a crystal with the axis in the [111] direction may arise from the neglect of dislocation propagation in this model, because the dislocation propagation in a crystal with the axis in the [111] direction is more active than that in a crystal with the axis in the [001] direction. Therefore, to increase the applicability of the AH model, it is necessary to include the effect of dislocation propagation.

  3. Crystallization Growth of Single Crystal Cu by ContinuousCasting

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Crystallization growth of single-crystal Cu by continuous casting has been investigated using selfdesigned horizontal continuous casting equipment and XRD. Experimental results showed that the crystallization plane of (311), (220) and (111) were eliminated sequentially in evolutionary process. The final growth plane of crystal was (200), the direction of crystallization was [100],the growth direction of both sides of the rod inclined to axis, and the degree of deviation of direction [100] from the crystal axis was less than 10. In order to produce high quality single crystal, the solid-liquid interface morphology must be smooth, even be planar.

  4. Single Crystals (M = Fe, Co)

    Science.gov (United States)

    Cabrera-Baez, M.; Magnavita, E. Thizay; Ribeiro, Raquel A.; Avila, Marcos A.

    2014-06-01

    FeGa3 and related compounds have been subjects of recent investigation for their interesting thermoelectric, electronic, and magnetic behaviors. Here, single crystals of FeGa3- y Ge y were grown by the self-flux technique with effective y = 0, 0.09(1), 0.11(1), and 0.17(1) in order to investigate the evolution of the diamagnetic semiconducting compound FeGa3 into a ferromagnetic metal, which occurs through the electron doping and band structure modifications that result from substitution of Ge for Ga. Heat capacity and magnetization measurements reveal non-Fermi liquid behavior in the vicinity of the transition from a paramagnetic to ferromagnetic ground state, suggesting the presence of a ferromagnetic quantum critical point (FMQCP). We also present the first results of hole doping in this system by the growth of FeGa3- y Zn y single crystals, and electron- and hole doping of the related compound CoGa3 by CoGa3- y Ge y and CoGa3- y Zn y crystal growths, aiming to search for further routes to band structure and charge carrier tuning, thermoelectric optimization, and quantum criticality in this family of compounds. The ability to tune the charge carrier type warrants further investigation of the MGa3 system's thermoelectric properties above room temperature.

  5. Dislocation-density-based modeling of the plastic behavior of 4H-SiC single crystals using the Alexander-Haasen model

    Science.gov (United States)

    Gao, B.; Kakimoto, K.

    2014-01-01

    To dynamically model the plastic deformation of 4H-SiC single crystals during physical vapor transport (PVT) growth, the Alexander-Haasen model, originally proposed for the elemental semiconductor, is extended into IV-IV compound semiconductors. By fitting the model parameters to the experimental data, we show that the Alexander-Haasen model can describe the plastic deformation of 4H-SiC single crystals if the activation of the carbon-core partial dislocation is modeled in the high-temperature region (above 1000 °C) and the silicon-core partial dislocation is modeled in the low-temperature region (below 1000 °C). We then apply the same model to the dynamical deformation process of a 4H-SiC single crystal during PVT growth. The time evolution of the dislocation density is shown, and the effects of the cooling time on the final dislocation density, residual stress and stacking faults are also examined.

  6. A Precipitate-Strengthening Model Based on Crystallographic Anisotropy, Stress-Induced Orientation, and Dislocation of Stress-Aged Al-Cu-Mg Single Crystals

    Science.gov (United States)

    Guo, Xiaobin; Zhang, Yong; Zhang, Jin; Deng, Yunlai; Zhang, Xinming

    2017-10-01

    We investigate the relationship between inhomogeneously distributed S precipitates and hardness of stress-aged single-crystal Al-Cu-Mg. First, the effect of crystallographic anisotropy is considered and modeled from the results of free-stress aged single-crystal Al-1.2Cu-0.5Mg with ( 1\\bar{1}8 ), ( \\bar{1}\\bar{2}5 ), (356), and (319) plane orientations. Effect of crystallographic anisotropy depends on the angle between the plane orientation of the single crystal and {012} habit planes of the S precipitates. Second, the effects of the magnitude of the applied stress and direction on the S-laths' size and distribution are considered. As the applied stress-induced S-laths inhomogeneously distribute during aging, the effect of the single-crystal's orientation on the distribution of S-laths is modeled. The results show that a single crystal near (111) plane orientation has the lowest stress-orienting effect. Finally, at higher applied stresses, such as 50 MPa, the S precipitates disperse more homogeneously due to the influence of the dislocations. Inhibiting the effect of dislocation depends on the angle between the plane orientation of the single crystal and the {111} dislocation slide planes. A precipitate-strengthening model of the stress-aged Al-Cu-Mg alloys is established based on crystallographic anisotropy, stress-orienting precipitates, and inhibiting the effect of dislocations.

  7. 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

  8. Mechanically worked single crystal article

    Energy Technology Data Exchange (ETDEWEB)

    Gell, M. L.; Giamei, A. F.

    1985-07-09

    A single crystal nickel base superalloy component, such as a gas turbine blade is mechanically deformed at elevated temperature to improve the yield strength of a portion which is used at temperatures below 800/sup 0/ C., compared to a portion which is used at a higher temperature. A blade has a root which is deformed by 2-14% at 700/sup 0/-1100/sup 0/ C. and an airfoil which is not deformed. The root yield strength is increased 15-50% while the airfoil creep strength is maintained.

  9. Additive manufacturing of micrometric crystallization vessels and single crystals

    Science.gov (United States)

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-11-01

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates.

  10. Influence of Al content on non-equilibrium solidification behavior of Ni-Al-Ta model single crystal alloys

    Science.gov (United States)

    Ai, Cheng; Zhou, Jian; Zhang, Heng; Zhao, Xinbao; Pei, Yanling; Li, Shusuo; Gong, Shengkai

    2016-01-01

    The non-equilibrium solidification behaviors of five Ni-Al-Ta ternary model single crystal alloys with different Al contents were investigated by experimental analysis and theoretical calculation (by JMatPro) in this study. These model alloys respectively represented the γ' phase with various volume fractions (100%, 75%, 50%, 25% and 0%) at 900 °C. It was found that with decreasing Al content, liquidus temperature of experimental alloys first decreased and then increased. Meanwhile, the solidification range showed a continued downward trend. In addition, with decreasing Al content, the primary phases of non-equilibrium solidified model alloys gradually transformed from γ' phase to γ phase, and the area fraction of which first decreased and then increased. Moreover, the interdendritic/intercellular precipitation of model alloys changed from β phase (for 100% γ') to (γ+γ')Eutectic (for 75% γ'), (γ+γ')Eutectic+γ' (for 50% γ' and 25% γ') and none interdendritic precipitation (for 0% γ'), and the last stage non-equilibrium solidification sequence of model alloys was determined by the nominal Al content and different microsegregation behaviors of Al element.

  11. Relaxor-PT Single Crystal Piezoelectric Sensors

    OpenAIRE

    Xiaoning Jiang; Jinwook Kim; Kyugrim Kim

    2014-01-01

    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 futu...

  12. A direction sensitive detonation model for granular to continuum scale for shock initiation of pentaerythritol tetranitrate single crystal in multi-dimensions

    Directory of Open Access Journals (Sweden)

    Ki-Hong Kim

    2015-08-01

    Full Text Available Experiments have shown that the shock sensitivity of a single crystal pentaerythritol tetranitrate (PETN has a strong dependence on the crystal orientation. The ignition and growth (I & G model has been widely used in studies of the shock initiation of energetic materials while the model is independent of the direction of compression, and thus it is impossible to address anisotropic sensitivity of such material. In this paper, we base our new model in the recently proposed reactive flow concept that incorporates an anisotropic ignition mechanism that depends on both strain and strain rate which are given in the general tensor notation. A multi-dimensional simulation is performed in order to illustrate the strain dependence of the initiation of a PETN pellet. The model is applicable to any anisotropic energetic material subjected to a shock impact, not limited to single crystal PETN.

  13. Biomineralization of nanoscale single crystal hydroxyapatite

    Energy Technology Data Exchange (ETDEWEB)

    Omokanwaye, Tiffany [Catholic University of America, BONE/CRAB Lab, Department of Biomedical Engineering, Washington, DC 20064 (United States); Wilson, Otto C., E-mail: wilsono@cua.edu [Catholic University of America, BONE/CRAB Lab, Department of Biomedical Engineering, Washington, DC 20064 (United States); Gugssa, Ayelle; Anderson, Winston [Howard University, Department of Biology, Washington, DC (United States)

    2015-11-01

    The chemical and physical characteristics of nanocrystalline hydroxyapatite particles which formed during the subcutaneous implantation of crab shell in Sprague–Dawley rats were studied using selected area electron diffraction (SAED) and high resolution transmission electron microscopy (HRTEM). The initial SAED characterization evidence indicated the presence of an amorphous calcium phosphate phase. The electron dense nanophase particles which formed in the wound healing zone displayed broad diffuse rings which usually indicate a low crystalline order or amorphous phase. High resolution transmission electron microscopy (HRTEM) revealed that these mineralized regions contained discrete single crystal particles less than 5 nm in size. Micrographs taken at successively higher magnifications revealed very small nanoparticles with a hexagonal arrangement of ion channels with characteristic spacing of 0.54 nm and 0.23 nm. This study revealed that single crystal hydroxyapatite nanoparticles consisting of only a few unit cells formed via a biomineralization directed process. - Highlights: • Nanocrystalline particles were formed during in vivo implantation of crab shell using a rat model. • High resolution TEM revealed that nanoparticles were single crystals and less than 5 nm in size. • The relative distance between spots matches the expected values for hydroxyapatite.

  14. A generalized energy model for the behavior of single-crystal magneto-electric composites

    Science.gov (United States)

    Atulasimha, Jayasimha; Akhras, George; Flatau, Alison B.

    2007-04-01

    This paper explores a unified energy-based approach to model the non-linear behavior of both magnetostrictive and piezoelectric materials. While the energy-approach developed by Armstrong has been shown to capture the magnetostrictive behavior of materials such as Terfenol-D1 and Iron-Gallium2 along different crystallographic directions, extending this approach to piezoelectric materials presents a considerable challenge. Some piezo-electric materials such as PMN-PT and BaTiO 3 may undergo phase changes under applied electric fields and stress in addition to polarization switching. A modeling approach is developed in this paper to capture these effects. Finally, it is shown that the constitutive behavior for the piezo-electric/magnetostrictive layers, coupled by a simple blocked-force approach, is likely to model the behavior of magneto-electric composites.

  15. Synthesis and structural characterization of a single-crystal to single-crystal transformable coordination polymer.

    Science.gov (United States)

    Tian, Yuyang; Allan, Phoebe K; Renouf, Catherine L; He, Xiang; McCormick, Laura J; Morris, Russell E

    2014-01-28

    A single-crystal to single-crystal transformable coordination polymer compound was hydrothermally synthesized. The structural rearrangement is induced by selecting a ligand that contains both strong and weaker coordinating groups. Both hydrated and dehydrated structures were determined by single crystal X-ray analysis.

  16. 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.

  17. Adhesion of single crystals on modified surfaces in crystallization fouling

    Science.gov (United States)

    Mayer, Moriz; Augustin, Wolfgang; Scholl, Stephan

    2012-12-01

    In crystallization fouling it has been observed that during a certain initial phase the fouling is formed by a non-uniform layer consisting of a population of single crystals. These single crystals are frequently formed by inverse soluble salts such as CaCO3. During heterogeneous nucleation and heterogeneous growth an interfacial area between the crystal and the heat transfer surface occurs. The development of this interfacial area is the reason for the adhesion of each single crystal and of all individual crystals, once a uniform layer has been built up. The emerging interfacial area is intrinsic to the heterogeneous nucleation of crystals and can be explained by the thermodynamic principle of the minimum of the Gibbs free energy. In this study CaCO3 crystals were grown heterogeneously on untreated and on modified surfaces inside a flow channel. An untreated stainless steel (AISI 304) surface was used as a reference. Following surface modifications were investigated: enameled and electropolished stainless steel as well as diamond-like-carbon based coatings on stainless steel substrate. The adhesion was measured through a novel measurement technique using a micromanipulator to shear off single crystals from the substrate which was fixed to a spring table inside a SEM.

  18. Modeling of dopant segregation in sapphire single crystal fibre growth by Micro-Pulling-Down method

    Science.gov (United States)

    Wenjia, Su; Duffar, Thierry; Nehari, Abdeljelil; Kononets, Valerii; Lebbou, Kheirreddine

    2017-09-01

    Experiments and numerical simulations are conducted in order to study the causes and solutions for the Ti inhomogeneity problem in Ti doped sapphire Micro-Pulling-Down (μ-PD) growth. The measurement and modeling of the thermal and flow fields, electromagnetic field, Ti concentration in the molten zone and along the fibre axis are compared. For the mean Ti concentration along the fibre and temperature along the iridium crucible, the modeling results are consistent with experiments. Results showed that for high pulling rate, the mass transfer in the capillary is dominated by convection. Marangoni convection is strong in the meniscus due to the large temperature gradient, which has great impact on the Ti distribution for different fibre radii. For high pulling rate, Ti concentration increases quickly from the seed along the fibre axis, and reaches a constant value after about 0.5-2 mm. Radial segregation is high for large diameter fibres. The constant Ti concentration along the fibre axis is increasing when increasing the fibre radius from 0.2 to 0.6 mm. For 0.8 mm, it decreases due to the change of the vortex. At low growth rate, the transport in the capillary is diffusive, back to the crucible, which leads to a Scheil-like Ti distribution, in full agreement with the experimental results.

  19. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

    addition, Hall effect and temperature-dependent measurements are employed for more in-depth understandings of the transport mechanism in these unconventional devices at the extreme charge densities. Inspiringly, a truly metallic state is within reach of this type of device structure. Overall, this thesis demonstrates high mobility, high charge density and high performance organic single crystal transistors, with versatile fabrication techniques, comprehensive electrical and structural characterizations, well-developed theories and models and advanced transport measurements.

  20. Nanomechanical modeling of a (100)[001] crack in a single crystal bcc iron cantilever beam

    Science.gov (United States)

    Skogsrud, Jørn; Jørum, Marie; Thaulow, Christian

    2017-02-01

    An atomistic model of a fully 3D, nano-sized, pre-cracked cantilever beam has been made and MD simulations have been performed to deflect the beam and initiate crack growth. The crucial process zone in front of the crack has been investigated with respect to linear elastic and elastic-plastic fracture mechanics and plastic deformation mechanisms such as dislocations and twinning. The effect of crack geometry and loading rate has been studied. Two crack geometries were compared, one atomically sharp and one blunted. The sharper crack was shown to lead to a cleaner crack extension on (110)-planes, while the rounded crack showed extension along the initial (100)-plane in accordance with experiments on micro-sized 3 wt% Si α-Fe cantilevers. The effect of strain rate was also investigated, and it was found that lower strain rate correlated better with experimental observations. However, the strain rate used is still several magnitudes higher than for experiments, limiting the usefulness of strain rate observations for predicting behavior in experiments. A brief post-deformation comparison between simulations and SEM-images of focused ion beam-fabricated micro-cantilevers was also done, showing possible signs of similar deformation mechanisms and dislocation systems between them.

  1. Modelling of the mechanical behaviour of the single-crystal turbine alloy CMSX-4 during thermomechanical loading

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, F.; Steinhaus, T. [Research Centre Juelich, Inst. for Materials and Processes in Energy Systems (IWV-2), Juelich (Germany); Fleury, G. [ECIX, Audincourt, 25 (France)

    2000-11-01

    Turbine blades in gas turbine engines are subjected during operation to triaxial stress fields. For the description of the deformation behaviour of anisotropic single-crystal blades, constitutive equations are required which take account of modifications to the deformation processes caused by evolution of the {gamma}/{gamma}' microstructure during service ({gamma}' rafting). A microstructure-dependent, orthotropic Hills potential, whose anisotropy coefficients are connected to the edge length of {gamma}' particles, has been applied. The shape of {gamma}' particles remains cubic below exposures at 700degC. At high temperatures (above 850degC the {gamma}') particles coalesce to rafts, and the viscoplastic response of the superalloy is continuously modified. This reduces the creep resistance of (001) orientated specimen. After tensile loading of the (001) -orientated specimens at 1000degC, the rafting of {gamma}' in the (100) plane was observed as expected, whereas the (111) specimens did not reveal {gamma}' rafting. Torsionally loaded specimens exhibited rafting only in the near (100) - orientated surface regions of the specimen. The deformation in the (111) tensile and (001) torsion specimens occurred by octahedral slip of dislocations and not by cubic slip, as expected from theoretical considerations. Rafting did not occur in the (111) - orientated specimens. This anisotropy change is simulated successfully by the microstructure-dependent model. (Author)

  2. Additive Manufacturing of Single-Crystal Superalloy CMSX-4 Through Scanning Laser Epitaxy: Computational Modeling, Experimental Process Development, and Process Parameter Optimization

    Science.gov (United States)

    Basak, Amrita; Acharya, Ranadip; Das, Suman

    2016-08-01

    This paper focuses on additive manufacturing (AM) of single-crystal (SX) nickel-based superalloy CMSX-4 through scanning laser epitaxy (SLE). SLE, a powder bed fusion-based AM process was explored for the purpose of producing crack-free, dense deposits of CMSX-4 on top of similar chemistry investment-cast substrates. Optical microscopy and scanning electron microscopy (SEM) investigations revealed the presence of dendritic microstructures that consisted of fine γ' precipitates within the γ matrix in the deposit region. Computational fluid dynamics (CFD)-based process modeling, statistical design of experiments (DoE), and microstructural characterization techniques were combined to produce metallurgically bonded single-crystal deposits of more than 500 μm height in a single pass along the entire length of the substrate. A customized quantitative metallography based image analysis technique was employed for automatic extraction of various deposit quality metrics from the digital cross-sectional micrographs. The processing parameters were varied, and optimal processing windows were identified to obtain good quality deposits. The results reported here represent one of the few successes obtained in producing single-crystal epitaxial deposits through a powder bed fusion-based metal AM process and thus demonstrate the potential of SLE to repair and manufacture single-crystal hot section components of gas turbine systems from nickel-based superalloy powders.

  3. Crystal growth and structural analysis of zirconium sulphoselenide single crystals

    Indian Academy of Sciences (India)

    K R Patel; R D Vaidya; M S Dave; S G Patel

    2008-08-01

    A series of zirconium sulphoselenide (ZrSSe3–, where = 0, 0.5, 1, 1.5, 2, 2.5, 3) single crystals have been grown by chemical vapour transport technique using iodine as a transporting agent. The optimum condition for the growth of these crystals is given. The stoichiometry of the grown crystals were confirmed on the basis of energy dispersive analysis by X-ray (EDAX) and the structural characterization was accomplished by X-ray diffraction (XRD) studies. The crystals are found to possess monoclinic structure. The lattice parameters, volume, particle size and X-ray density have been carried out for these crystals. The effect of sulphur proportion on the lattice parameter, unit cell volume and X-ray density in the series of ZrSSe3– single crystals have been studied and found to decrease in all these parameters with rise in sulphur proportion. The grown crystals were examined under optical zoom microscope for their surface topography study. Hall effect measurements were carried out on grown crystals at room temperature. The negative value of Hall coefficient implies that these crystals are -type in nature. The conductivity is found to decrease with increase of sulphur content in the ZrSSe3– series. The electrical resistivity parallel to c-axis as well as perpendicular to -axis have been carried out in the temperature range 303–423 K. The results obtained are discussed in detail.

  4. Simulation of Single Crystal Growth: Heat and Mass Transfer

    CERN Document Server

    Zhmakin, A I

    2015-01-01

    The heat transfer (conductive, convective, radiative) and the related problems (the unknown phase boundary fluid/crystal, the assessment of the quality of the grown crystals) encountered in the melt and vapour growth of single crystal as well as the corresponding macroscopic models are reviewed. The importance of the adequate description of the optical crystal properties (semitransparency, absorption, scattering, refraction, diffuse and specular reflecting surfaces) and their effect on the heat transfer is stressed. The problems of the code verification and validation are discussed; differences between the crystal growth simulation codes intended for the research and for the industrial applications are indicated.

  5. 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.

  6. 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...

  7. 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...

  8. Vibration-assisted machining of single crystal

    Science.gov (United States)

    Zahedi, S. A.; Roy, A.; Silberschmidt, V. V.

    2013-07-01

    Vibration-assisted machining offers a solution to expanding needs for improved machining, especially where accuracy and precision are of importance, such as in micromachining of single crystals of metals and alloys. Crystallographic anisotropy plays a crucial role in determining on overall response to machining. In this study, we intend to address the matter of ultra-precision machining of material at the micron scale using computational modelling. A hybrid modelling approach is implemented that combines two discrete schemes: smoothed particle hydrodynamics and continuum finite elements. The model is implemented in a commercial software ABAQUS/Explicit employing a user-defined subroutine (VUMAT) and used to elucidate the effect of crystallographic anisotropy on a response of face centred cubic (f.c.c.) metals to machining.

  9. 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.

  10. Spray printing of organic semiconducting single crystals.

    Science.gov (United States)

    Rigas, Grigorios-Panagiotis; Payne, Marcia M; Anthony, John E; Horton, Peter N; Castro, Fernando A; Shkunov, Maxim

    2016-11-22

    Single-crystal semiconductors have been at the forefront of scientific interest for more than 70 years, serving as the backbone of electronic devices. Inorganic single crystals are typically grown from a melt using time-consuming and energy-intensive processes. Organic semiconductor single crystals, however, can be grown using solution-based methods at room temperature in air, opening up the possibility of large-scale production of inexpensive electronics targeting applications ranging from field-effect transistors and light-emitting diodes to medical X-ray detectors. Here we demonstrate a low-cost, scalable spray-printing process to fabricate high-quality organic single crystals, based on various semiconducting small molecules on virtually any substrate by combining the advantages of antisolvent crystallization and solution shearing. The crystals' size, shape and orientation are controlled by the sheer force generated by the spray droplets' impact onto the antisolvent's surface. This method demonstrates the feasibility of a spray-on single-crystal organic electronics.

  11. Spray printing of organic semiconducting single crystals

    Science.gov (United States)

    Rigas, Grigorios-Panagiotis; Payne, Marcia M.; Anthony, John E.; Horton, Peter N.; Castro, Fernando A.; Shkunov, Maxim

    2016-11-01

    Single-crystal semiconductors have been at the forefront of scientific interest for more than 70 years, serving as the backbone of electronic devices. Inorganic single crystals are typically grown from a melt using time-consuming and energy-intensive processes. Organic semiconductor single crystals, however, can be grown using solution-based methods at room temperature in air, opening up the possibility of large-scale production of inexpensive electronics targeting applications ranging from field-effect transistors and light-emitting diodes to medical X-ray detectors. Here we demonstrate a low-cost, scalable spray-printing process to fabricate high-quality organic single crystals, based on various semiconducting small molecules on virtually any substrate by combining the advantages of antisolvent crystallization and solution shearing. The crystals' size, shape and orientation are controlled by the sheer force generated by the spray droplets' impact onto the antisolvent's surface. This method demonstrates the feasibility of a spray-on single-crystal organic electronics.

  12. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

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

    2008-11-01

    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.

  13. 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.

  14. Micro-Structural Evolution and Size-Effects in Plastically Deformed Single Crystals: Strain Gradient Continuum Modeling

    DEFF Research Database (Denmark)

    El-Naaman, Salim Abdallah

    , to focus on their ability to capture realistic micro-structural evolution. This challenge is the main focus of the present thesis, which takes as starting point a non-work conjugate type back stress based higher order crystal plasticity theory. Within this framework, several possibilities for the back......An extensive amount of research has been devoted to the development of micro-mechanics based gradient plasticity continuum theories, which are necessary for modeling micron-scale plasticity when large spatial gradients of plastic strain appear. While many models have proven successful in capturing...... the macroscopic effects related to strain gradients, most predict smooth micro-structures. The evolution of dislocation micro-structures, during plastic straining of ductile crystalline materials, is highly complex and nonuniform. Published experimental measurements on deformed metal crystals show distinct...

  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. 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.

  17. Hybrid gold single crystals incorporating amino acids

    CERN Document Server

    Chen, Linfeng; Weber, Eva; Fitch, Andy N; Pokroy, Boaz

    2016-01-01

    Composite hybrid gold crystals are of profound interest in various research areas ranging from materials science to biology. Their importance is due to their unique properties and potential implementation, for example in sensing or in bio-nanomedicine. Here we report on the formation of hybrid organic-metal composites via the incorporation of selected amino acids histidine, aspartic acid, serine, glutamine, alanine, cysteine, and selenocystine into the crystal lattice of single crystals of gold. We used electron microscopy, chemical analysis and high-resolution synchrotron powder X ray diffraction to examine these composites. Crystal shape, as well as atomic concentrations of occluded amino acids and their impact on the crystal structure of gold, were determined. Concentration of the incorporated amino acid was highest for cysteine, followed by serine and aspartic acid. Our results indicate that the incorporation process probably occurs through a complex interaction of their individual functional groups with ...

  18. 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

  19. The growth of Nd: YAG single crystals

    Directory of Open Access Journals (Sweden)

    ANDREJA VALCIC

    2002-04-01

    Full Text Available Y3Al5O12 doped with 0.8 % wt. Nd (Nd:YAG single crystals were grown by the Czochralski technique under an argon atmosphere. The conditions for growing the Nd: YAG single crystals were calculated by using a combination of Reynolds and Grashof numbers. The critical crystal diameter and the critical rate of rotation were calculated from the hydrodynamics of the melt. The crystal diameter Dc = 1.5 cm remained constant during the crystal growth, while the critical rate of rotation changed from wc = 38 rpm after necking to wc = 13 rpm at the end of the crystal. The value of the rate of crystal growth was experimentally found to be 0.8–1.0 mm/h. According to our previous experiments, it was confirmed that 20 min exposure to conc. H3PO4 at 603 K was suitable for chemical polishing. Also, one-hour exposure to conc. H3PO4 at 493 K was found to be suitable for etching. The lattice parameter a = 1.201 (1 nm was determined by X-ray powder diffraction. The obtained results are discussed and compared with published data.

  20. The temperature-dependent single-crystal Raman spectroscopy of a model dipeptide: L-Alanyl-L-alanine

    Science.gov (United States)

    Silva, J. G.; Arruda, L. M.; Pinheiro, G. S.; Lima, C. L.; Melo, F. E. A.; Ayala, A. P.; Filho, J. Mendes; Freire, P. T. C.

    2015-09-01

    A single-crystal of peptide L-alanyl-L-alanine (C6H12N2O3) was studied by Raman spectroscopy at low-temperature, and a tentative assignment of the normal modes was given. Evidence of a second order structural phase transition was found through Raman spectroscopy between the temperatures of 80 K and 60 K. Group theory considerations suggest that the transition leads the sample from the tetragonal to a monoclinic structure. Additionally, our study suggests that the mechanism for the structural phase transition is governed by the occupation of non-equivalent C1 local symmetry sites by the CH3 molecular groups. Analysis based on group theory suggests L-alanyl-L-alanine presents C2 symmetry at low temperatures.

  1. First Single-Crystal Mullite Fibers

    Science.gov (United States)

    1997-01-01

    Ceramic-matrix composites strengthened by suitable fiber additions are being developed for high-temperature use, particularly for aerospace applications. New oxide-based fibers, such as mullite, are particularly desirable because of their resistance to high-temperature oxidative environments. Mullite is a candidate material in both fiber and matrix form. The primary objective of this work was to determine the growth characteristics of single-crystal mullite fibers produced by the laser-heated floating zone method. Directionally solidified fibers with nominal mullite compositions of 3Al2O3 2SiO2 were grown by the laser-heated floating zone method at the NASA Lewis Research Center. SEM analysis revealed that the single-crystal fibers grown in this study were strongly faceted and that the facets act as critical flaws, limiting fiber strength. The average fiber tensile strength is 1.15 GPa at room temperature. The mullite fibers exhibit superior strength retention (80 percent of their room temperature tensile strength at 1450 C). Examined by transmission electron microscopy, these mullite single crystals are free of dislocations, low-angle boundaries, and voids. In addition, they show a high degree of oxygen vacancy ordering. High-resolution digital images from an optical microscope furnish evidence of the formation of a liquid-liquid miscibility gap during crystal growth. These images represent the first experimental evidence of liquid immiscibility for these compositions and temperatures. Continuing investigation with controlled seeding of mullite single crystals is planned.

  2. Friction stir welding of single crystal aluminium

    DEFF Research Database (Denmark)

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

    2007-01-01

    Friction stir welds were prepared in different orientations in an aluminium single crystal. The welds were quenched to preserve the microstructure surrounding the tool and then electron backscattered diffraction was used to reveal the generation of grain boundaries and the evolution of crystallog......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...

  3. Radiation piezoelectric effect in germanium single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kikoin, I.K.; Kikoin, L.I.; Lazarev, S.D.

    1977-06-01

    Irradiation with ionizing particles of a germanium single crystal and uniaxial deformation at right-angles to the particle beam produced an electric field and a corresponding emf due to the radiation piezoelectric effect. Measurements were carried out when such a single crystal was irradiated with ..cap alpha.. particles and protons. The piezoelectric emf increased linearly with the compressive stress and the ..cap alpha..-particle flux intensity. The emf depended weakly on the particle energy. The observed effect was due to the anisotropy resulting from uniaxial deformation.

  4. Chemical Bond Analysis of Single Crystal Growth of Magnesium Oxide

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Starting from the crystallographic structure of magnesium oxide (MgO), both the chemical bond model of solids and Pauling's third rule (polyhedral sharing rule) were employed to quantitatively analyze the chemical bonding structure of constituent atoms and single crystal growth. Our analytical results show that MgO single crystals prefer to grow along the direction and the growth rate of the {100} plane is the slowest one. Therefore, the results show that the {100} plane of MgO crystals can be the ultimate morphology face, which is in a good agreement with our previous experimental results. The study indicate that the structure analysis is an effective tool to control the single-crystal growth.

  5. Inkjet printing of single-crystal films

    Science.gov (United States)

    Minemawari, Hiromi; Yamada, Toshikazu; Matsui, Hiroyuki; Tsutsumi, Jun'ya; Haas, Simon; Chiba, Ryosuke; Kumai, Reiji; Hasegawa, Tatsuo

    2011-07-01

    The use of single crystals has been fundamental to the development of semiconductor microelectronics and solid-state science. Whether based on inorganic or organic materials, the devices that show the highest performance rely on single-crystal interfaces, with their nearly perfect translational symmetry and exceptionally high chemical purity. Attention has recently been focused on developing simple ways of producing electronic devices by means of printing technologies. `Printed electronics' is being explored for the manufacture of large-area and flexible electronic devices by the patterned application of functional inks containing soluble or dispersed semiconducting materials. However, because of the strong self-organizing tendency of the deposited materials, the production of semiconducting thin films of high crystallinity (indispensable for realizing high carrier mobility) may be incompatible with conventional printing processes. Here we develop a method that combines the technique of antisolvent crystallization with inkjet printing to produce organic semiconducting thin films of high crystallinity. Specifically, we show that mixing fine droplets of an antisolvent and a solution of an active semiconducting component within a confined area on an amorphous substrate can trigger the controlled formation of exceptionally uniform single-crystal or polycrystalline thin films that grow at the liquid-air interfaces. Using this approach, we have printed single crystals of the organic semiconductor 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) (ref. 15), yielding thin-film transistors with average carrier mobilities as high as 16.4cm2V-1s-1. This printing technique constitutes a major step towards the use of high-performance single-crystal semiconductor devices for large-area and flexible electronics applications.

  6. Piezoelectricity in Single Crystal of Pentaerythritol Tetranitrate

    Directory of Open Access Journals (Sweden)

    K. Raha

    1991-07-01

    Full Text Available The piezoelectric constants perpendicular to (110 and (001 of single crystal f pentaerythritol tetranitrate (PETN are determined to be (3.2+-0.30x10/sup-13/and (1.5+-0.30x10/sub-13/CN/sub-1/. The charge development on these faces under static loading has been confirmed to be true piezoelectric in origin. The crystal seems to experience a quasi permanent deformation under repeated and successive compression with a very long relaxation time. This gives rise to a unique behaviour of individual crystal of PETN under identical stress condition. Mechanical stress relaxation measurements have also been carried out to provide additional evidence on the uniqueness of the crystal. Dielectric constant of the crystal along the directions perpendicular to (110 and (001 are 3.50+-0.12 and 4.57+-0.17; Young's modulus along the directions are (1.24+- 0.30x10/sub6/g cm/sup-2/ respectively. Single crystals of one cm/sub3/ of PETN develops about 10 V cm/sup-1/ field under a force of 1 kg across (110face.

  7. High Polarization Single Mode Photonic Crystal Microlaser

    Institute of Scientific and Technical Information of China (English)

    CHEN Wei; XING Ming-Xin; ZHOU Wen-Jun; LIU An-Jin; ZHENG Wan-Hua

    2009-01-01

    Generally,dipole mode is a doubly degenerate mode.Theoretical calculations have indicated that the single dipole mode of two-dimensional photonic crystal single point defect cavity shows high polarization property.We present a structure with elongated lattice,which only supports a single y-dipole mode.With this structure we can eliminate the degeneracy,control the lasing action of the cavity and demonstrate the high polarization property of the single dipole mode.In our experiment,the polarization extinction ratio of the y-dipole mode is as high as 51:1.

  8. Synthesis of monoclinic zinc diphosphide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mowles, T.A.

    1978-05-01

    Monoclinic zinc diphosphide is a cheap, plentiful, direct-gap semiconductor with an optimum transition energy for solar absorption. Single crystals were grown from the vapor to be evaluated as a new photovoltaic material. Monoclinic and tetragonal crystal formed within evacuated quartz ampules that were charged with zinc and excess phosphorous and heated in a temperature gradient to give phosphorous pressures from 0.07 to 8.5 atmospheres. The monoclinic form melts incongruently near 990/sup 0/C. The tetragonal form is metastable; its growth is enhanced by impurities but retarded by high phosphorous pressures. The mechanism of the synthesis indicates that a tightly-controlled vapor deposition is possible and that high-quality thin films should form at temperatures from 950 to 990/sup 0/C at pressures below 10 atmospheres. By a modification of the technique, sesquizinc phosphide single crystals were grown for comparison.

  9. Recrystallization of deformed single crystals of iridium

    Energy Technology Data Exchange (ETDEWEB)

    Ermakov, A.V.; Klotsman, S.M.; Pushin, V.G.; Timofeev, A.N.; Kaigorodov, V.N.; Panfilov, P.Y.; Yurchenko, L.I.

    1999-12-31

    The X-ray diffractometric method was used to analyze crystalline textures that appear during rolling of pure single-Ir and annealing of the said crystals in ultrahigh vacuum (UHV) at successively elevating temperatures. Observing alteration of the texture of the deformed pure single-Ir after UHV annealing, the primary recrystallization temperature T{sub 1recr} of pure Ir was found not to exceed 670 K (0.25 T{sub m}).

  10. Ionic conduction of lithium hydride single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pilipenko, G.I.; Oparin, D.V.; Zhuravlev, N.A.; Gavrilov, F.F.

    1987-09-01

    Using the electrical-conductivity- and NMR-measurement- methods, the ionic-conduction mechanism is established in stoichiometric lithium hydride single crystals. The activation energies of migration of anion- and cation-vacancies and the formation of Schottky-pair defects are determined. They assume that the mechanisms of self-diffusion and conductivity are different in lithium hydride.

  11. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

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

    2005-01-01

    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 =

  12. 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) so...

  13. Growth of single-crystal gallium nitride

    Science.gov (United States)

    Clough, R.; Richman, D.; Tietjen, J.

    1970-01-01

    Use of ultrahigh purity ammonia prevents oxygen contamination of GaN during growth, making it possible to grow the GaN at temperatures as high as 825 degrees C, at which point single crystal wafers are deposited on /0001/-oriented sapphire surfaces.

  14. 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...

  15. A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine

    Science.gov (United States)

    Luscher, D. J.; Addessio, F. L.; Cawkwell, M. J.; Ramos, K. J.

    2017-01-01

    We have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation drag limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation-dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX.

  16. DIFFRACTION FROM MODEL CRYSTALS

    Science.gov (United States)

    Although calculating X-ray diffraction patterns from atomic coordinates of a crystal structure is a widely available capability, calculation from non-periodic arrays of atoms has not been widely applied to cellulose. Non-periodic arrays result from modeling studies that, even though started with at...

  17. MAGNETORESISTANCE AND HALL EFFECT IN SINGLE CRYSTALS OF ALUMINUM

    Science.gov (United States)

    ALUMINUM, *SINGLE CRYSTALS, CRYSTALS, HALL EFFECT , IMPURITIES, LOW PRESSURE, MAGNETIC FIELDS, MAGNETIC PROPERTIES, PARTICLE TRAJECTORIES, ELECTRICAL RESISTANCE, SOLID STATE PHYSICS, SURFACE PROPERTIES.

  18. Modelling the transport of geometrically necessary dislocations on slip systems: application to single- and multi-crystals of ice

    Science.gov (United States)

    Richeton, T.; Le, LT; Chauve, T.; Bernacki, M.; Berbenni, S.; Montagnat, M.

    2017-02-01

    A model based on the elastic theory of continuously distributed dislocations, accounting for the transport of geometrically necessary dislocations (GND) on slip systems is developed. It allows keeping the crystallographic nature of glide by allocating velocities specific to slip systems to GND. At grain boundaries, the dislocation transport equation is resolved between a specific system in a grain and a specific system in the adjacent grain. It is used to simulate a compression creep test followed by unloading of a multiple slip deforming multi-crystal of ice during which kink band formation, grain boundary migration and localized grain nucleation are observed. The model predictions are compared to 2D strain fields obtained by digital image correlation and show a good agreement. Besides, the kink band position corresponds very well with an area of strong lattice misorientation predicted by the model and is also bounded by opposite densities of edge dislocations, in agreement with kink banding theory and characterization. Furthermore, the grain boundary migration is observed to happen from predicted low dislocation density area towards high dislocation ones—also in agreement with the theory. Lastly, the triple junctions where nucleation is observed are also characterized by high GND density and especially strong gradient of elastic energy density. These different features show the relevance of using a continuum theory of polarized dislocations per slip system to study the onset of relaxation mechanisms like kink banding, grain boundary migration and grain nucleation and possibly to propose nucleation and migration criteria.

  19. Crystallization in Emulsions: A Thermo-Optical Method to Determine Single Crystallization Events in Droplet Clusters

    Directory of Open Access Journals (Sweden)

    Serghei Abramov

    2016-08-01

    Full Text Available Delivery systems with a solid dispersed phase can be produced in a melt emulsification process. For this, dispersed particles are melted, disrupted, and crystallized in a liquid continuous phase (melt emulsification. Different to bulk crystallization, droplets in oil-in-water emulsions show individual crystallization behavior, which differs from droplet to droplet. Therefore, emulsion droplets may form liquid, amorphous, and crystalline structures during the crystallization process. The resulting particle size, shape, and physical state influence the application properties of these colloidal systems and have to be known in formulation research. To characterize crystallization behavior of single droplets in micro emulsions (range 1 µm to several hundred µm, a direct thermo-optical method was developed. It allows simultaneous determination of size, size distribution, and morphology of single droplets within droplet clusters. As it is also possible to differentiate between liquid, amorphous, and crystalline structures, we introduce a crystallization index, CIi, in dispersions with a crystalline dispersed phase. Application of the thermo-optical approach on hexadecane-in-water model emulsion showed the ability of the method to detect single crystallization events of droplets within emulsion clusters, providing detailed information about crystallization processes in dispersions.

  20. Inspection of Single Crystal Aerospace Components with Ultrasonic Arrays

    Science.gov (United States)

    Lane, C. J. L.; Dunhill, A.; Drinkwater, B. W.; Wilcox, P. D.

    2010-02-01

    Single crystal metal alloys are used extensively in the manufacture of jet engine components for their excellent mechanical properties at elevated temperatures. The increasing use of these materials and demand for longer operational life and improved reliability motivates the requirement to have capable NDE methods available. Ultrasonic arrays are well established at detecting sub-surface defects however these methods are not currently suitable to the inspection of single crystal components due to their high elastic anisotropy causing directional variation in ultrasonic waves. In this paper a model of wave propagation in anisotropic material is used to correct an ultrasonic imaging algorithm and is applied to single crystal test specimens. The orientation of the crystal in a specimen must be known for this corrected-algorithm; therefore a crystal orientation method is also presented that utilizes surface skimming longitudinal waves under a 2D array. The work detailed in this paper allows an ultrasonic 2D array to measure the orientation of a single crystal material and then perform accurate volumetric imaging to detect and size defects.

  1. Synthesis, crystal growth and mechanical properties of Bismuth Silicon Oxide (BSO) single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Riscob, B. [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India); Institute for Plasma Research, Bhat, Gandhinagar 382428, Gujarat (India); Shkir, Mohd. [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India); Ganesh, V. [Department of Physics, Kakatiya University, Warangal 506 009 (India); Vijayan, N.; Maurya, K.K. [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India); Kishan Rao, K. [Department of Physics, Kakatiya University, Warangal 506 009 (India); Bhagavannarayana, G., E-mail: bhagavan@mail.nplindia.ernet.in [CSIR – National Physical Laboratory, Crystal Growth and X-ray Analysis, New Delhi 110 012 (India)

    2014-03-05

    Highlights: • Synthesis of Bismuth Silicon Oxide (BSO). • Single crystal growth of BSO by Czochralski (Cz) method. • Complete mechanical analysis by device fabrication point of view. • Theoretical and experimental calculations of mechanical properties. -- Abstract: Bismuth Silicon Oxide (BSO) is an efficient material for piezo-electric and electro-optic applications. In this article, growth of BSO single crystal by high temperature Czochralski melt growth technique and its detailed mechanical characterization by Vickers microhardness, fracture toughness, crack propagation, brittleness index and yield strength have been reported. The raw material was synthesized by solid state reaction using the stoichiometric ratio of high purity bismuth tri-oxide and silicon di-oxide. The synthesized material was charged in the platinum crucible and then melted. The required rotation and pulling rate was optimized for BSO single crystal growth and good quality single crystal has been harvested after a time span of 5 days. Powder X-ray diffraction analysis confirms the parent crystallization phase of BSO. The experimentally studied mechanical behavior of the crystal is explained using various theoretical models. The anisotropic nature of the crystals is studied using Knoop indentation technique.

  2. The growth of ruby single crystals

    Directory of Open Access Journals (Sweden)

    ALEKSANDAR GOLUBOVIC

    2005-02-01

    Full Text Available Ruby (Cr:Al2O3 single crystals were grown by the Czochralski technique in an argon atmosphere. The critical crystal diameter dc = 1.0 cm and the critical rate of rotation wc = 20 rpm were calculated by equations of the hydrodynamics of the melt. The rate of crystal growthwas experimentally obtained to be 2.7 mm/h. For chemical polishing, conc. H3PO4 at 593 K for an exposure of 3 hours was determined. Conc. H3PO4 at 523 K for an exposure of 3 h was found to be a suitable etching solution. The lattice parameters a = 0.47627(6 nm and c = 1.301(1 nm were determined by X-ray powder diffraction. The obtained results are discussed and compared with published data.

  3. Hot Corrosion of Coated Single Crystal Superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Simms, N. J.; Encinas-Oropesa, A.; Nicholls, J.R. [Cranfield University, Power Generation Technology Centre, Cranfield, Beds, MK43 0AL (United Kingdom)

    2004-07-01

    be determined for use in the development of materials performance modelling. In addition, the types of damage observed have been characterised using standard optical and SEM/EDX techniques. The damage rates of the single crystal materials without coatings are too high for them to be used with confidence in gas turbines fired with gases derived from dirty fuels. Under the more severe combinations of gas composition, deposition flux and metal temperature, the corrosion rates of these materials with Pt-Al coatings are also excessive. The data produced from these tests has allowed the sensitivity of hot corrosion damage to changes in the exposure environment to be determined for the single crystal alloys and coating systems examined. These data are compared to the behaviour of conventional nickel based superalloys, with higher corrosion resistance but lower high temperature strength, that have been evaluated in previous studies. (authors)

  4. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    Stephan Rosenkranz; Raymond Osborn

    2008-10-01

    Single crystal diffuse scattering provides one of the most powerful probes of short-range correlations on the 1-100 nm scale, which often are responsible for the extreme field response of many emerging phenomena of great interest. Accurate modeling of such complex disorder from diffuse scattering data however puts stringent experimental demands, requiring measurements over large volumes of reciprocal space with sufficient momentum and energy resolution. 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, as compared to traditional methods, for measuring single crystal diffuse scattering over volumes of reciprocal space with elastic discrimination.

  5. Biomineralization of nanoscale single crystal hydroxyapatite.

    Science.gov (United States)

    Omokanwaye, Tiffany; Wilson, Otto C; Gugssa, Ayelle; Anderson, Winston

    2015-11-01

    The chemical and physical characteristics of nanocrystalline hydroxyapatite particles which formed during the subcutaneous implantation of crab shell in Sprague-Dawley rats were studied using selected area electron diffraction (SAED) and high resolution transmission electron microscopy (HRTEM). The initial SAED characterization evidence indicated the presence of an amorphous calcium phosphate phase. The electron dense nanophase particles which formed in the wound healing zone displayed broad diffuse rings which usually indicate a low crystalline order or amorphous phase. High resolution transmission electron microscopy (HRTEM) revealed that these mineralized regions contained discrete single crystal particles less than 5nm in size. Micrographs taken at successively higher magnifications revealed very small nanoparticles with a hexagonal arrangement of ion channels with characteristic spacing of 0.54nm and 0.23nm. This study revealed that single crystal hydroxyapatite nanoparticles consisting of only a few unit cells formed via a biomineralization directed process. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Detection and characterization of crystal suspensions using single-source dual-energy computed tomography: a phantom model of crystal arthropathies.

    Science.gov (United States)

    Diekhoff, Torsten; Kiefer, Tobias; Stroux, Andrea; Pilhofer, Irid; Juran, Ralf; Mews, Jürgen; Blobel, Jörg; Tsuyuki, Masaharu; Ackermann, Beate; Hamm, Bernd; Hermann, Kay-Geert A

    2015-04-01

    .659 to 0.745 and from 0.718 to 0.750, respectively. This phantom study shows that single-source DECT allows detection and characterization of crystal deposits when present in soft tissue at relatively low concentrations. Further studies in patients have to prove its benefits in diagnostic imaging and treatment monitoring as well as its significance compared with dual-source CT systems.

  7. Size effects on void growth in single crystals with distributed voids

    DEFF Research Database (Denmark)

    Borg, Ulrik; Niordson, Christian Frithiof; Kysar, J.W.

    2008-01-01

    The effect of void size on void growth in single crystals with uniformly distributed cylindrical voids is studied numerically using a finite deformation strain gradient crystal plasticity theory with an intrinsic length parameter. A plane strain cell model is analyzed for a single crystal...

  8. 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.

  9. Three-dimensional charge transport in organic semiconductor single crystals.

    Science.gov (United States)

    He, Tao; Zhang, Xiying; Jia, Jiong; Li, Yexin; Tao, Xutang

    2012-04-24

    Three-dimensional charge transport anisotropy in organic semiconductor single crystals - both plates and rods (above and below, respectively, in the figure) - is measured in well-performing organic field-effect transistors for the first time. The results provide an excellent model for molecular design and device preparation that leads to good performance.

  10. Electroluminescence in BaFCl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Somaiah, K.; Paracchini, C.

    1987-06-01

    A study of electroluminescence in BaFCl single crystals as a function of temperature is reported. At an excitation voltage of 5 kV, electroluminescent intensity, which is feeble at room temperature, is shown to increase with decreasing temperature. The increase is rapid between 250 K and 175 K and levels off as 80 K is approached. A tentative explanation, in the light of x-ray induced luminescence, is offered. (U.K.).

  11. Secondary particle emission from sapphire single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Minnebaev, K.F., E-mail: minnebaev@mail.ru [Physics Faculty, Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation); Khvostov, V.V.; Zykova, E.Yu.; Tolpin, K.A. [Physics Faculty, Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation); Colligon, J.S. [Manchester Metropolitan University, Chester Street, Manchester M1 5GD (United Kingdom); Yurasova, V.E. [Physics Faculty, Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation)

    2015-07-01

    Secondary ion emission from sapphire single crystal has been studied experimentally and by means of computer simulation. The particular oscillations of secondary ion energy spectra and two specific maxima of O{sup +} and Al{sup +} ions were observed under irradiation of (0001) sapphire face by 1 and 10 keV Ar{sup +} ions. We have explained this by the interplay of the charge exchange processes between moving particles and solids. The existence of two maxima in energy spectra of O{sup +} and Al{sup +} secondary ions can be also connected with special features of single-crystal sputtering: the low-energy peak can be formed by random sputtering and the high-energy peak from focusing collisions. In addition some similarity was found between the positions of low-energy maximum in energy spectra of Al{sup +} ions emitted from sapphire and the principal maxima of Al{sup +} ions ejected from the aluminum single crystal. This indicates a possibility to explain the presence of low-energy maximum in energy spectra of secondary ions ejecting from sapphire by emission of Al{sup +} ions from aluminum islands appearing in a number of cases on the sapphire surface due to preferential sputtering of oxygen. These different mechanisms of creating the energy spectra of ions emitted from sapphire should be taken in account.

  12. A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization.

    Science.gov (United States)

    Kissel, Patrick; Murray, Daniel J; Wulftange, William J; Catalano, Vincent J; King, Benjamin T

    2014-09-01

    In contrast to the wide number and variety of available synthetic routes to conventional linear polymers, the synthesis of two-dimensional polymers and unambiguous proof of their structure remains a challenge. Two-dimensional polymers-single-layered polymers that form a tiling network in exactly two dimensions-have potential for use in nanoporous membranes and other applications. Here, we report the preparation of a fluorinated hydrocarbon two-dimensional polymer that can be exfoliated into single sheets, and its characterization by high-resolution single-crystal X-ray diffraction analysis. The procedure involves three steps: preorganization in a lamellar crystal of a rigid monomer bearing three photoreactive arms, photopolymerization of the crystalline monomers by [4 + 4] cycloaddition, and isolation of individual two-dimensional polymer sheets. This polymer is a molecularly thin (~1 nm) material that combines precisely defined monodisperse pores of ~9 Å with a high pore density of 3.3 × 10(13) pores cm(-2). Atomic-resolution single-crystal X-ray structures of the monomer, an intermediate dimer and the final crystalline two-dimensional polymer were obtained and prove the single-crystal-to-single-crystal nature and molecular precision of the two-dimensional photopolymerization.

  13. Perpetually self-propelling chiral single crystals.

    Science.gov (United States)

    Panda, Manas K; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E; Naumov, Panče

    2015-02-11

    When heated, single crystals of enantiomerically pure D- and L-pyroglutamic acid (PGA) are capable of recurring self-actuation due to rapid release of latent strain during a structural phase transition, while the racemate is mechanically inactive. Contrary to other thermosalient materials, where the effect is accompanied by crystal explosion due to ejection of debris or splintering, the chiral PGA crystals respond to internal strain with unprecedented robustness and can be actuated repeatedly without deterioration. It is demonstrated that this superelasticity is attained due to the low-dimensional hydrogen-bonding network which effectively accrues internal strain to elicit propulsion solely by elastic deformation without disintegration. One of the two polymorphs (β) associated with the thermosalient phase transition undergoes biaxial negative thermal expansion (αa = -54.8(8) × 10(-6) K(-1), αc = -3.62(8) × 10(-6) K(-1)) and exceptionally large uniaxial thermal expansion (αb = 303(1) × 10(-6) K(-1)). This second example of a thermosalient solid with anomalous expansion indicates that the thermosalient effect can be expected for first-order phase transitions in soft crystals devoid of an extended 3D hydrogen-bonding network that undergo strongly anisotropic thermal expansion around the phase transition.

  14. Electrical conductivity of sulfamic acid single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Varughese, G. [Department of Physics, Catholicate College, Pathanamthitta, Kerala (India); Iype, L. [School of Pure and Applied Physics, Mahatma Gandhi Unniversity, Kottayam, Kerala (India); Rajesh, R. [Department of Physics, N S S College, Manjeri, Malappuram, Kerala (India); Joseph, G. [Department of Physics, Sacred Heart College, Thevara, Cochin, Kerala (India); Louis, G. [Department of Physics, Cochin University of Science and Technology, Cochin, Kerala (India); Santhosh Kumar, A.

    2010-08-15

    Single crystals of sulfamic acid have been grown by the method of slow evaporation at constant temperature. DC electrical conductivity was measured in the temperature range 300 - 440 K along a, b and c-axes. Conductivity measurements show slope change near 330 K and 410 K. The slope change observed around 330 K may be attributed as due to a phase transition which has been well supported by the DSC and DTA measurements. Slope change observed around 410 K is attributed as the onset of the thermal decomcoposition as evidenced by TGA curve. TGA studies show the crystal is very stable up to 440 K. Activation energies for the conduction process are calculated for all measured crystallographic directions. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Direct shear of olivine single crystals

    Science.gov (United States)

    Tielke, Jacob A.; Zimmerman, Mark E.; Kohlstedt, David L.

    2016-12-01

    Knowledge of the strengths of the individual dislocation slip systems in olivine is fundamental to understanding the flow behavior and the development of lattice-preferred orientation in olivine-rich rocks. The most direct measurements of the strengths of individual slip systems are from triaxial compression experiments on olivine single crystals. However, such experiments only allow for determination of flow laws for two of the four dominant slip systems in olivine. In order to measure the strengths of the (001)[100] and (100)[001] slip systems independently, we performed deformation experiments on single crystals of San Carlos olivine in a direct shear geometry. Experiments were carried out at temperatures of 1000 ° to 1300 °C, a confining pressure of 300 MPa, shear stresses of 60 to 334 MPa, and resultant shear strain rates of 7.4 × 10-6 to 2.1 × 10-3 s-1. At high-temperature (≥1200 °C) and low-stress (≤200 MPa) conditions, the strain rate of crystals oriented for direct shear on either the (001)[100] or the (100)[001] slip system follows a power law relationship with stress, whereas at lower temperatures and higher stresses, strain rate depends exponentially on stress. The flow laws derived from the mechanical data in this study are consistent with a transition from the operation of a climb-controlled dislocation mechanism during power-law creep to the operation of a glide-controlled dislocation mechanism during exponential creep. In the climb-controlled regime, crystals oriented for shear on the (001)[100] slip system are weaker than crystals orientated for shear on the (100)[001] slip system. In contrast, in the glide-controlled regime the opposite is observed. Extrapolation of flow laws determined for crystals sheared in orientations favorable for slip on these two slip systems to upper mantle conditions reveals that the (001)[100] slip system is weaker at temperatures and stresses that are typical of the asthenospheric mantle, whereas the (100

  16. Fabrication of crystals from single metal atoms.

    Science.gov (United States)

    Barry, Nicolas P E; Pitto-Barry, Anaïs; Sanchez, Ana M; Dove, Andrew P; Procter, Richard J; Soldevila-Barreda, Joan J; Kirby, Nigel; Hands-Portman, Ian; Smith, Corinne J; O'Reilly, Rachel K; Beanland, Richard; Sadler, Peter J

    2014-05-27

    Metal nanocrystals offer new concepts for the design of nanodevices with a range of potential applications. Currently the formation of metal nanocrystals cannot be controlled at the level of individual atoms. Here we describe a new general method for the fabrication of multi-heteroatom-doped graphitic matrices decorated with very small, ångström-sized, three-dimensional (3D)-metal crystals of defined size. We irradiate boron-rich precious-metal-encapsulated self-spreading polymer micelles with electrons and produce, in real time, a doped graphitic support on which individual osmium atoms hop and migrate to form 3D-nanocrystals, as small as 15 Å in diameter, within 1 h. Crystal growth can be observed, quantified and controlled in real time. We also synthesize the first examples of mixed ruthenium-osmium 3D-nanocrystals. This technology not only allows the production of ångström-sized homo- and hetero-crystals, but also provides new experimental insight into the dynamics of nanocrystals and pathways for their assembly from single atoms.

  17. Growth and characterization of propyl-para-hydroxybenzoate single crystals

    Indian Academy of Sciences (India)

    N Karunagaran; P Ramasamy; R Perumal Ramasamy

    2014-10-01

    Single crystals of propyl--hydroxybenzoate have been grown by slow evaporation solution technique. The structure of the compound was confirmed by FT–IR, FT–Raman spectroscopy and single crystal X-ray diffraction studies. The crystalline perfection of the grown single crystals has been analysed by high resolution X-ray diffraction measurements. Optical properties of the grown single crystals were studied by UV–Vis NIR spectrum. The luminescence behaviour of the single crystal has been analysed by photoluminescence analysis and found maximum luminescence in the lower wavelength region. A simple interferometric technique was used for measuring birefringence of the crystal. The laser damage threshold of the crystal is 1.3 GW/cm2. The mechanical strength of the grown crystal is measured using Vickers microhardness tester. The dielectric properties have been investigated.

  18. 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.

  19. Crystal structure of the anti-(carcinoembryonic antigen) single-chain Fv antibody MFE-23 and a model for antigen binding based on intermolecular contacts.

    Science.gov (United States)

    Boehm, M K; Corper, A L; Wan, T; Sohi, M K; Sutton, B J; Thornton, J D; Keep, P A; Chester, K A; Begent, R H; Perkins, S J

    2000-03-01

    MFE-23 is the first single-chain Fv antibody molecule to be used in patients and is used to target colorectal cancer through its high affinity for carcinoembryonic antigen (CEA), a cell-surface member of the immunoglobulin superfamily. MFE-23 contains an N-terminal variable heavy-chain domain joined by a (Gly(4)Ser)(3) linker to a variable light-chain (V(L)) domain (kappa chain) with an 11-residue C-terminal Myc-tag. Its crystal structure was determined at 2.4 A resolution by molecular replacement with an R(cryst) of 19.0%. Five of the six antigen-binding loops, L1, L2, L3, H1 and H2, conformed to known canonical structures. The sixth loop, H3, displayed a unique structure, with a beta-hairpin loop and a bifurcated apex characterized by a buried Thr residue. In the crystal lattice, two MFE-23 molecules were associated back-to-back in a manner not seen before. The antigen-binding site displayed a large acidic region located mainly within the H2 loop and a large hydrophobic region within the H3 loop. Even though this structure is unliganded within the crystal, there is an unusually large region of contact between the H1, H2 and H3 loops and the beta-sheet of the V(L) domain of an adjacent molecule (strands DEBA) as a result of intermolecular packing. These interactions exhibited remarkably high surface and electrostatic complementarity. Of seven MFE-23 residues predicted to make contact with antigen, five participated in these lattice contacts, and this model for antigen binding is consistent with previously reported site-specific mutagenesis of MFE-23 and its effect on CEA binding.

  20. 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.

  1. Load Relaxation of Olivine Single Crystals

    Science.gov (United States)

    Cooper, R. F.; Stone, D. S.; Plookphol, T.

    2016-12-01

    Single crystals of ferromagnesian olivine (San Carlos, AZ, peridot; Fo90-92) have been deformed in both uniaxial creep and load relaxation under conditions of ambient pressure, T = 1500ºC and pO2 = 10-10 atm; creep stresses were in the range 40 ≤ σ1 (MPa) ≤ 220. The crystals were oriented such that the applied stress was parallel to [011]c, which promotes single slip on the slowest slip system in olivine, (010)[001]. The creep rates at steady state match well the results of earlier investigators, as does the stress sensitivity (a power-law exponent of n = 3.6). Dislocation microstructures, including spatial distribution of low-angle (subgrain) boundaries, additionally confirm previous investigations. Inverted primary creep (an accelerating strain rate with an increase in stress) was observed. Load-relaxation, however, produced a singular response—a single hardness curve—regardless of the magnitude of creep stress or total accumulated strain preceding relaxation. The log-stress v. log-strain rate data from load-relaxation and creep experiments overlap to within experimental error. The load-relaxation behavior is distinctly different that that described for other crystalline solids, where the flow stress is affected strongly by work hardening such that a family of distinct hardness curves is generated, which are related by a scaling function. The response of olivine for the conditions studied, thus, indicates flow that is rate-limited by dislocation glide, reflecting specifically a high intrinsic lattice resistance (Peierls stress).

  2. Czochralski crystal growth: Modeling study

    Science.gov (United States)

    Dudukovic, M. P.; Ramachandran, P. A.; Srivastava, R. K.; Dorsey, D.

    1986-01-01

    The modeling study of Czochralski (Cz) crystal growth is reported. The approach was to relate in a quantitative manner, using models based on first priniciples, crystal quality to operating conditions and geometric variables. The finite element method is used for all calculations.

  3. Method of Making Lightweight, Single Crystal Mirror

    Science.gov (United States)

    Bly, Vincent T. (Inventor)

    2015-01-01

    A method of making a mirror from a single crystal blank may include fine grinding top and bottom surfaces of the blank to be parallel. The blank may then be heat treated to near its melting temperature. An optical surface may be created on an optical side of the blank. A protector may be bonded to the optical surface. With the protector in place, the blank may be light weighted by grinding a non-optical surface of the blank using computer controlled grinding. The light weighting may include creating a structure having a substantially minimum mass necessary to maintain distortion of the mirror within a preset limit. A damaged layer of the non-optical surface caused by light weighting may be removed with an isotropic etch and/or repaired by heat treatment. If an oxide layer is present, the entire blank may then be etched using, for example, hydrofluoric acid. A reflecting coating may be deposited on the optical surface.

  4. Piezoresistance measurement on single crystal silicon nanowires

    Science.gov (United States)

    Toriyama, Toshiyuki; Funai, Daisuke; Sugiyama, Susumu

    2003-01-01

    A p-type single crystal silicon nanowire bridge and a four-terminal nanowire element were fabricated by electron-beam direct writing. The piezoresistance was investigated in order to demonstrate the usefulness of these sensing elements as mechanical sensors. The longitudinal piezoresistance coefficient πl[110] was found to be 38.7×10-11 Pa-1 at a surface impurity concentration of Ns=9×1019cm-3 for the nanowire bridge. The shear piezoresistance coefficient π44 was found to be 77.4×10-11 Pa-1 at Ns=9×1019 cm-3 for the four-terminal nanowire element. These values are 54.8% larger than the values obtained from p+ diffused piezoresistors, which are used in conventional mechanical sensors.

  5. 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.

  6. Piezoelectric single crystals for ultrasonic transducers in biomedical applications

    Science.gov (United States)

    Zhou, Qifa; Lam, Kwok Ho; Zheng, Hairong; Qiu, Weibao; Shung, K. Kirk

    2014-01-01

    Piezoelectric single crystals, which have excellent piezoelectric properties, have extensively been employed for various sensors and actuators applications. In this paper, the state–of–art in piezoelectric single crystals for ultrasonic transducer applications is reviewed. Firstly, the basic principles and design considerations of piezoelectric ultrasonic transducers will be addressed. Then, the popular piezoelectric single crystals used for ultrasonic transducer applications, including LiNbO3 (LN), PMN–PT and PIN–PMN–PT, will be introduced. After describing the preparation and performance of the single crystals, the recent development of both the single–element and array transducers fabricated using the single crystals will be presented. Finally, various biomedical applications including eye imaging, intravascular imaging, blood flow measurement, photoacoustic imaging, and microbeam applications of the single crystal transducers will be discussed. PMID:25386032

  7. Single crystal growth and anisotropic crystal-fluid interface tension in soft colloidal systems

    NARCIS (Netherlands)

    Nguyen, V.D.; Hu, Z.; Schall, P.

    2011-01-01

    We measure the anisotropy of the crystal-fluid interfacial free energy in soft colloidal systems. A temperature gradient is used to direct crystal nucleation and control the growth of large single crystals in order to achieve well-equilibrated crystal-fluid interfaces. Confocal microscopy is used to

  8. Functionalizing single crystals: incorporation of nanoparticles inside gel-grown calcite crystals.

    Science.gov (United States)

    Liu, Yujing; Yuan, Wentao; Shi, Ye; Chen, Xiaoqiang; Wang, Yong; Chen, Hongzheng; Li, Hanying

    2014-04-14

    Synthetic single crystals are usually homogeneous solids. Biogenic single crystals, however, can incorporate biomacromolecules and become inhomogeneous solids so that their properties are also extrinsically regulated by the incorporated materials. The discrepancy between the properties of synthetic and biogenic single crystals leads to the idea to modify the internal structure of synthetic crystals to achieve nonintrinsic properties by incorporation of foreign material. Intrinsically colorless and diamagnetic calcite single crystals are turned into colored and paramagnetic solids, through incorporation of Au and Fe3O4 nanoparticles without significantly disrupting the crystalline lattice of calcite. The crystals incorporate the nanoparticles and gel fibers when grown in agarose gel media containing the nanoparticles, whereas the solution-grown crystals do not. As such, our work extends the long-history gel method for crystallization into a platform to functionalize single-crystalline materials.

  9. 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.

  10. Piezoelectric single crystals for ultrasonic transducers in biomedical applications

    OpenAIRE

    Zhou, Qifa; Lam, Kwok Ho; Zheng, Hairong; Qiu, Weibao; Shung, K. Kirk

    2014-01-01

    Piezoelectric single crystals, which have excellent piezoelectric properties, have extensively been employed for various sensors and actuators applications. In this paper, the state–of–art in piezoelectric single crystals for ultrasonic transducer applications is reviewed. Firstly, the basic principles and design considerations of piezoelectric ultrasonic transducers will be addressed. Then, the popular piezoelectric single crystals used for ultrasonic transducer applications, including LiNbO...

  11. Ultraviolet Photoelectric Effect in ZrO2 Single Crystals

    Institute of Scientific and Technical Information of China (English)

    XING Jie; WANG Xu; ZHAO Kun; LI Jie; JIN Kui-Juan; HE Meng; ZHENG Dong-Ning; L(U) Hui-Bin

    2007-01-01

    Nanosecond photoelectric effect is observed in a ZrO2 single crystal at ambient temperature for the first time.The rise time is 20ns and the full width at half maximum is about 30ns for the photovoltaic pulse when the wafer surface of the ZrO2 single crystal is irradiated by 248nm KrF laser pulses. The experimental results show that ZrO2 single crystals may be a potential candidate in UV photodetectors.

  12. Volume reflection of ultrarelativistic particles in single crystals

    Directory of Open Access Journals (Sweden)

    V. A. Maisheev

    2007-08-01

    Full Text Available An analytical description of volume reflection of charged ultrarelativistic particles in bent single crystals is considered. The relation describing the angle of volume reflection as a function of the transversal energy is obtained. Different angle distributions of the scattered protons in single crystals are found. Results of calculations for 400 GeV protons scattered by the silicon single crystal are presented.

  13. Growth of EuO single crystals at reduced temperatures

    Science.gov (United States)

    Ramirez, Daniel C.; Besara, Tiglet; Whalen, Jeffrey B.; Siegrist, Theo

    2017-01-01

    Single crystals of (E u1 -xB ax)O have been grown in a molten barium-magnesium metal flux at temperatures up to 1000 °C, producing single crystals of (E u1 -xB ax)O with barium doping levels ranging from x =0.03 to x =0.25 . Magnetic measurements show that the ferromagnetic Curie temperature TC correlates with the Ba doping levels, and a modified Heisenberg model was used to describe the stoichiometry dependence of TC. Extrapolation of the results indicates that a sample with Ba concentration of x =0.72 should have a TC of 0 K, potentially producing a quantum phase transition in this material.

  14. Modeling of photonic Crystal Fibres

    DEFF Research Database (Denmark)

    Bjarklev, Anders Overgaard; Broeng, Jes; Barkou, Stig Eigil

    1999-01-01

    Diferent theoretical models for analysis of photonic crystal fibres are reviewed and compaired. The methods span from simple scalar approaches to full-vectorial models using different mode-field decompositions. The specific advantages of the methods are evaluated.......Diferent theoretical models for analysis of photonic crystal fibres are reviewed and compaired. The methods span from simple scalar approaches to full-vectorial models using different mode-field decompositions. The specific advantages of the methods are evaluated....

  15. Composite single crystal silicon scan mirror substrates Project

    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...

  16. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators Project

    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...

  17. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Cryogenic fluid transfer components using single crystal piezoelectric actuators are proposed to enable low thermal mass, minimal heat leak, low power consumption...

  18. 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.

  19. Growth morphology and structural characteristic of C70single crystals

    Institute of Scientific and Technical Information of China (English)

    周维亚; 解思深; 吴源; 常保和; 王刚; 钱露茜

    1999-01-01

    Large size C70 single crystals with the dimension of more than 5 mm are grown from the vapor phase by controlling nucleation. X-ray diffraction and electron diffraction confirm that in the C70 single crystal a phase of the hexagonal close-packed (hcp) structure coexists with a minor face-center-cubic (fcc) phase at room temperature. The morphologies and their formation mechanism of the C70 single crystals are investigated by means of scanning electron microscopy and optical microscopy. The influence of growth conditions on the morphologies of C70 single crystals is discussed.

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

    Science.gov (United States)

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

    2015-02-02

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

  1. Employing a cylindrical single crystal in gas-surface dynamics

    NARCIS (Netherlands)

    Hahn, C.; Shan, J.; Liu, Y.; Berg, van den O.; Kleijn, A.W.; Juurlink, L.B.F.

    2012-01-01

    We describe the use of a polished, hollow cylindrical nickel single crystal to study effects of step edges on adsorption and desorption of gas phase molecules. The crystal is held in an ultra-high vacuum apparatus by a crystal holder that provides axial rotation about a [100] direction, and a crysta

  2. Crystal structure and magnetization of a Co3B2O6 single crystal

    Science.gov (United States)

    Kazak, N. V.; Platunov, M. S.; Ivanova, N. B.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Eremin, E. V.; Vasil'ev, A. D.; Bayukov, O. A.; Ovchinnikov, S. G.; Velikanov, D. A.; Zubavichus, Ya. V.

    2013-07-01

    The crystal structure and magnetic properties of Co3B2O6 single crystals are studied. Orthorhombic symmetry with space group Pnnm is detected at room temperature. The measurements of static magnetization and dynamic magnetic susceptibility reveal two magnetic anomalies at T 1 = 33 K and T 2 = 10 K and an easy-axis magnetic anisotropy. The effective magnetic moment indicates a high-spin state of the Co2+ ion. A spin-flop transition is found at low temperatures and H sf = 23 kOe. EXAFS spectra of the K-edge absorption of Co are recorded at various temperatures, the temperature-induced changes in the parameters of the local environment of cobalt are analyzed, and the effective Co-Co and Co-O distances are determined. The magnetic interactions in the crystal are analyzed in terms of an indirect coupling model.

  3. 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.

  4. Mesoporous zeolite and zeotype single crystals synthesized in fluoride media

    DEFF Research Database (Denmark)

    Egeblad, Kresten; Kustova, Marina; Klitgaard, Søren Kegnæs

    2007-01-01

    We report the synthesis and characterization of a series of new mesoporous zeolite and zeotype materials made available by combining new and improved procedures for directly introducing carbon into reaction mixtures with the fluoride route for conventional zeolite synthesis. The mesoporous...... characterized by XRPD, SEM, TEM and N-2 physisorption measurements. For the zeolite materials it A as found that mesoporous MFI and MEL structured single crystals could indeed be crystallized from fluoride media using an improved carbon-templating approach. More importantly, it was found that mesoporous BEA......-type single crystals could be crystallized from fluoride media by a newly developed procedure presented here. Thus, we here present the only known route to mesoporous BEA-type single crystals, since crystallization of this framework structure from basic media is known to give only nanosized crystals...

  5. Optical characterization of ferroelectric glycinium phosphite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Perumal, R.; Senthil Kumar, K. [Crystal Growth Centre, Anna University, Sardar Patel Road, Chennai, Tamil Nadu 600025 (India); Moorthy Babu, S., E-mail: babu@annauniv.ed [Crystal Growth Centre, Anna University, Sardar Patel Road, Chennai, Tamil Nadu 600025 (India); Bhagavannarayana, G. [Crystal Growth and Crystallography Section, National Physical Laboratory, CSIR, Dr. K.S. Krishnan Marg, New Delhi 110012 (India)

    2010-02-04

    Single crystals of glycinium phosphite (GPI) were grown by isothermal evaporation and conventional temperature-lowering techniques. Single crystal and powder X-ray diffraction analysis confirm the monoclinic structure of the as grown crystals. The structural perfection of the as grown crystal was determined through HRXRD analysis. FTIR and Raman analysis revealed the functional groups present in the grown crystals. The optical absorption of the grown crystal was analyzed and the refractive index values for different wavelengths were measured by prism coupling technique. Thermal stability, melting temperature and phase transition temperature of the as grown crystals were identified from TGA/DSC analysis. The dielectric impedance analysis indicates the continuous phase transition nature of the grown crystals. The mechanical strength and hardening co-efficient were determined from Vicker's microhardness measurements for different loads with constant dwell time. The growth mechanism and the defects were analyzed through chemical etching analysis from various crystallographic planes and etching periods.

  6. 3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model

    Science.gov (United States)

    Gao, Siwen; Fivel, Marc; Ma, Anxin; Hartmaier, Alexander

    2017-05-01

    A three-dimensional (3D) discrete dislocation dynamics (DDD) creep model is developed to investigate creep behavior under uniaxial tensile stress along the crystallographic [001] direction in Ni-base single crystal superalloys, which takes explicitly account of dislocation glide, climb and vacancy diffusion, but neglects phase transformation like rafting of γ‧ precipitates. The vacancy diffusion model takes internal stresses by dislocations and mismatch strains into account and it is coupled to the dislocation dynamics model in a numerically efficient way. This model is helpful for understanding the fundamental creep mechanisms in superalloys and clarifying the effects of dislocation glide and climb on creep deformation. In cases where the precipitate cutting rarely occurs, e.g. due to the high anti-phase boundary energy and the lack of superdislocations, the dislocation glide in the γ matrix and the dislocation climb along the γ/γ‧ interface dominate plastic deformation. The simulation results show that a high temperature or a high stress both promote dislocation motion and multiplication, so as to cause a large creep strain. Dislocation climb accelerated by high temperature only produces a small plastic strain, but relaxes the hardening caused by the filling γ channels and lets dislocations further glide and multiply. The strongest variation of vacancy concentration occurs in the horizontal channels, where more mixed dislocations exit and tend to climb. The increasing internal stresses due to the increasing dislocation density are easily overcome by dislocations under a high external stress that leads to a long-term dislocation glide accompanied by multiplication.

  7. 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.

  8. Crystal Ball Functional Model

    Science.gov (United States)

    Plotnick, David

    2016-09-01

    The A2 collaboration of the MAinz MIkrotron is dedicated to studying meson production and nucleon structure and behavior via photon scattering. The photons are made via bremsstrahlung process and energy-tagged using the Glasgow Photon tagger. The photon beam then interacts in a variety of targets: cryogenic, polarized or solid state, and scattered particles deposit their energy within the NaI crystals. Scintillators are able to give results on particles energy and time. Events are reconstructed by combining information from the Tagging spectrometer, the Crystal Ball detector, the TAPS forward wall spectrometer, a Cherenkov detector, and multi-wire proportional chambers. To better understand the detector and experimental events, a live display was built to show energies deposited in crystals in real-time. In order to show a range of energies and particles, addressable LEDs that are individually programmable were used. To best replicate the Crystal Ball, 3D printing technology was employed to build a similar highly segmented icosahedron that can hold each LED, creating a 3D representation of what photons see during experiments. The LEDs were controlled via Arduino microcontroller. Finally, we implemented the Experimental Physics and Industrial Control System to grab live event data, and a simple program converts this data in to color and crystal number data that is able to communicate with the Arduino. Using these simple parts, we can better visualize and understand the tools used in nuclear physics. This material is based upon work supported by the National Science Foundation Grant No. IIA-1358175.

  9. 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 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.

  10. Thermomechanical fatigue in single crystal superalloys

    Directory of Open Access Journals (Sweden)

    Moverare Johan J.

    2014-01-01

    Full Text Available Thermomechanical fatigue (TMF is a mechanism of deformation which is growing in importance due to the efficiency of modern cooling systems and the manner in which turbines and associated turbomachinery are now being operated. Unfortunately, at the present time, relatively little research has been carried out particularly on TMF of single crystal (SX superalloys, probably because the testing is significantly more challenging than the more standard creep and low cycle fatigue (LCF cases; the scarcity and relative expense of the material are additional factors. In this paper, the authors summarise their experiences on the TMF testing of SX superalloys, built up over several years. Emphasis is placed upon describing: (i the nature of the testing method, the challenges involved in ensuring that an given testing methodology is representative of engine conditions (ii the behaviour of a typical Re-containing second generation alloy such as CMSX-4, and its differing performance in out-of-phase/in-phase loading and crystallographic orientation and (iii the differences in behaviour displayed by the Re-containing alloys and new Re-free variants such as STAL15. It is demonstrated that the Re-containing superalloys are prone to different degradation mechanisms involving for example microtwinning, TCP precipitation and recrystallisation. The performance of STAL15 is not too inferior to alloys such as CMSX-4, suggesting that creep resistance itself does not correlate strongly with resistance to TMF. The implications for alloy design efforts are discussed.

  11. Excitonic polaritons of zinc diarsenide single crystals

    Science.gov (United States)

    Syrbu, N. N.; Stamov, I. G.; Zalamai, V. V.; Dorogan, A.

    2017-02-01

    Excitonic polaritons of ZnAs2 single crystals had been investigated. Parameters of singlet excitons with D2bar(z) symmetry and orthoexcitons 2D1bar(y)+D2bar(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 (V1) and electron (C1) bands. The values of effective masses of electrons (mc*=0.10 m0) and holes (mv1*=0.89 m0) had been estimated. It was revealed that the hole mass mv1* changes from 1.03 m0 to 0.55 m0 at temperature increasing from 10 K up to 230 K and that the electron mass mc* does not depend on temperature. The integral absorption A (eV cm-1) of the states n=1, 2 and 3 of D2bar(z) excitons depends on the An≈n-3 equality, which it is characteristic for S-type excitonic functions. Temperature dependences of the integral absorption of ground states for D2bar(z) and D2bar(D) excitons differ. The ground states of B and C excitons formed by V3 - C1 and V4 - C1 bands and its parameters had been determined.

  12. 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.

  13. Single crystal micromechanical resonator and fabrication methods thereof

    Energy Technology Data Exchange (ETDEWEB)

    Olsson, Roy H.; Friedmann, Thomas A.; Homeijer, Sara Jensen; Wiwi, Michael; Hattar, Khalid Mikhiel; Clark, Blythe; Bauer, Todd; Van Deusen, Stuart B.

    2016-12-20

    The present invention relates to a single crystal micromechanical resonator. In particular, the resonator includes a lithium niobate or lithium tantalate suspended plate. Also provided are improved microfabrication methods of making resonators, which does not rely on complicated wafer bonding, layer fracturing, and mechanical polishing steps. Rather, the methods allow the resonator and its components to be formed from a single crystal.

  14. Single crystal micromechanical resonator and fabrication methods thereof

    Science.gov (United States)

    Olsson, Roy H.; Friedmann, Thomas A.; Homeijer, Sara Jensen; Wiwi, Michael; Hattar, Khalid Mikhiel; Clark, Blythe; Bauer, Todd; Van Deusen, Stuart B.

    2016-12-20

    The present invention relates to a single crystal micromechanical resonator. In particular, the resonator includes a lithium niobate or lithium tantalate suspended plate. Also provided are improved microfabrication methods of making resonators, which does not rely on complicated wafer bonding, layer fracturing, and mechanical polishing steps. Rather, the methods allow the resonator and its components to be formed from a single crystal.

  15. Azeotropic binary solvent mixtures for preparation of organic single crystals

    NARCIS (Netherlands)

    Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

    2009-01-01

    Here, a new approach is introduced to prepare large single crystals of π-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

  16. Growth of centimeter-sized C60 single crystals

    Institute of Scientific and Technical Information of China (English)

    李宏年; 徐亚伯; 张建华; 何丕模; 李海洋; 吴太权; 鲍世宁

    2001-01-01

    C60 single crystals larger than one centimeter in size are grown with vapor method by nucleation control and by a proper time-dependent temperature process which allows only one nucleus growing larger and larger. X-ray diffraction patterns exhibit the high quality of the sample. As an example of the applications of large single C60 crystals,svnchrotron radiation photoemission spectra are measured to investigate the fine structure of valence bands of C60 crystals.

  17. A Microstructure Evolution Model for the Processing of Single-Crystal Alloy CMSX-4 Through Scanning Laser Epitaxy for Turbine Engine Hot-Section Component Repair (Part II)

    Science.gov (United States)

    Acharya, Ranadip; Bansal, Rohan; Gambone, Justin J.; Das, Suman

    2014-12-01

    Part I [Metall. Mater. Trans. B, 2014, DOI:10.1007/s11663-014-0117-9] presented a comprehensive thermal, fluid flow, and solidification model that can predict the temperature distribution and flow characteristics for the processing of CMSX-4 alloy powder through scanning laser epitaxy (SLE). SLE is an additive manufacturing technology aimed at the creation of equiaxed, directionally solidified and single-crystal (SX) deposits of nickel-based superalloys using a fast-scanning laser beam. Part II here further explores the Marangoni convection-based model to predict the solidification microstructure as a function of the conditions at the trailing edge of the melt pool formed during the SLE process. Empirical values for several microstructural characteristics such as the primary dendrite arm spacing (PDAS), the columnar-to-equiaxed transition (CET) criterion and the oriented-to-misoriented transition (OMT) criterion are obtained. Optical microscopy provides visual information on the various microstructural characteristics of the deposited material such as melt depth, CET location, OMT location, PDAS, etc. A quantitative and consistent investigation of this complex set of characteristics is both challenging and unprecedented. A customized image-analysis technique based on active contouring is developed to automatically extract these data from experimental micrographs. Quantitative metallography verifies that even for the raster scan pattern in SLE and the corresponding line heat source assumption, the PDAS follows the growth relation w ~ G -0.5 V -0.25 ( w = PDAS, G = temperature gradient and V = solidification velocity) developed for marginal stability under constrained growth. Models for the CET and OMT are experimentally validated, thereby providing powerful predictive capabilities for controlling the microstructure of SX alloys processed through SLE.

  18. Advanced piezoelectric single crystal based transducers for naval sonar applications

    Science.gov (United States)

    Snook, Kevin A.; Rehrig, Paul W.; Hackenberger, Wesley S.; Jiang, Xiaoning; Meyer, Richard J., Jr.; Markley, Douglas

    2006-03-01

    Transducers incorporating single crystal piezoelectric Pb(Mg 1/3Nb 2/3) x-1Ti xO 3 (PMN-PT) exhibit significant advantages over ceramic piezoelectrics such as PZT, including both high electromechanical coupling (k 33 > 90%) and piezoelectric coefficients (d 33 > 2000 pC/N). Conventional orientation gives inherently larger bandwidth and output power than PZT ceramics, however, the anisotropy of the crystal also allows for tailoring of the performance by orienting the crystal along different crystallographic axes. This attribute combined with composition refinements can be used to improve thermal or mechanical stability, which is important in high power, high duty cycle sonar applications. By utilizing the "31" resonance mode, the high power performance of PMN-PT can be improved over traditional "33" mode single crystal transducers, due to an improved aspect ratio. Utilizing novel geometries, effective piezoelectric constants of -600 pC/N to -1200 pC/N have been measured. The phase transition point induced by temperature, pre-stress or field is close to that in the "33" mode, and since the prestress is applied perpendicular to the poling direction in "31" mode elements, they exhibit lower loss and can therefore be driven harder. The high power characteristics of tonpilz transducers can also be affected by the composition of the PMN-PT crystal. TRS modified the composition of PMN-PT to improve the thermal stability of the material, while keeping the loss as low as possible. Three dimensional modeling shows that the useable bandwidth of these novel compositions nearly equals that of conventional PMN-PT. A decrease in the source level of up to 6 dB was calculated, which can be compensated for by the higher drive voltages possible.

  19. Modeling liquid crystal polymeric devices

    Science.gov (United States)

    Gimenez Pinto, Vianney Karina

    The main focus of this work is the theoretical and numerical study of materials that combine liquid crystal and polymer. Liquid crystal elastomers are polymeric materials that exhibit both the ordered properties of the liquid crystals and the elastic properties of rubbers. Changing the order of the liquid crystal molecules within the polymer network can induce shape change. These materials are very valuable for applications such as actuators, sensors, artificial muscles, haptic displays, etc. In this work we apply finite element elastodynamics simulations to study the temperature induced shape deformation in nematic elastomers with complex director microstructure. In another topic, we propose a novel numerical method to model the director dynamics and microstructural evolution of three dimensional nematic and cholesteric liquid crystals. Numerical studies presented in this work are in agreement with experimental observations and provide insight into the design of application devices.

  20. Crystal study and econometric model

    Science.gov (United States)

    1975-01-01

    An econometric model was developed that can be used to predict demand and supply figures for crystals over a time horizon roughly concurrent with that of NASA's Space Shuttle Program - that is, 1975 through 1990. The model includes an equation to predict the impact on investment in the crystal-growing industry. Actually, two models are presented. The first is a theoretical model which follows rather strictly the standard theoretical economic concepts involved in supply and demand analysis, and a modified version of the model was developed which, though not quite as theoretically sound, was testable utilizing existing data sources.

  1. Investigation on Growth and Optical Properties of LVCC Single Crystals

    Directory of Open Access Journals (Sweden)

    N. Sheen Kumar

    2014-11-01

    Full Text Available L-valine cadmium chloride (LVCC single crystals were grown by slow evaporation technique with different concentrations (0.25, 0.5, 0.75 and 1.0 mole of CdCl2. All the grown crystals were subjected to single crystal X-ray diffraction analysis. Solid state parameters were calculated for the grown crystals. The optical properties of the crystals were investigated by UV-Vis. absorption spectroscopy. The results revealed that, the wider bandgap and large transparency in the visible region along with higher polarizability of the grown crystals are highly useful in optoelectronic devices. Also according to our needs, one can tune the optical and electrical properties of LVCC crystals by adjusting the concentration of CdCl2 in LVCC.

  2. Single crystal to single crystal transformation and hydrogen-atom transfer upon oxidation of a cerium coordination compound.

    Science.gov (United States)

    Williams, Ursula J; Mahoney, Brian D; Lewis, Andrew J; DeGregorio, Patrick T; Carroll, Patrick J; Schelter, Eric J

    2013-04-15

    Trivalent and tetravalent cerium compounds of the octamethyltetraazaannulene (H2omtaa) ligand have been synthesized. Electrochemical analysis shows a strong thermodynamic preference for the formal cerium(IV) oxidation state. Oxidation of the cerium(III) congener Ce(Homtaa)(omtaa) occurs by hydrogen-atom transfer that includes a single crystal to single crystal transformation upon exposure to an ambient atmosphere.

  3. Rolling-contact deformation of MgO single crystals

    Science.gov (United States)

    Dufrane, K. F.; Glaeser, W. A.

    1976-01-01

    Magnesium oxide single crystals were used as a model bearing material and deformed by rolling contact with a steel ball 0.64 cm in diameter. A dependence of depth of slip on rolling velocity which persisted with increasing numbers of rolling-contact cycles was discovered. The track width, track hardness and dislocation interactions as observed by transmission electron microscopy all increased in a consistent manner with increasing cycles. The rolling-contact state of stress produces a high density of dislocations in a localized zone. Dislocation interaction in this zone produces cleavage-type cracks after a large number of rolling-contact cycles. The orientation of the crystal influences the character of dislocation accumulation.

  4. α-Lead tellurite from single-crystal data.

    Science.gov (United States)

    Zavodnik, Valery E; Ivanov, Sergey A; Stash, Adam I

    2008-02-06

    The crystal structure of the title compound, α-PbTeO(3) (PTO), has been reported previously by Mariolacos [Anz. Oesterr. Akad. Wiss. Math. Naturwiss. Kl. (1969), 106, 128-130], refined on powder data. The current determination at room temperature from data obtained from single crystals grown by the Czochralski method shows a significant improvement in the precision of the geometric parameters when all atoms have been refined anisotropically. The selection of a centrosymmetric (C2/c) structure model was confirmed by the second harmonic generation test. The asymmetric unit contains three formula units. The structure of PTO is built up of three types of distorted [PbO(x)] polyhedra (x = 7 and 9) which share their O atoms with TeO(3) pyramidal units. These main anionic polyhedra are responsible for establishing the two types of tunnel required for the stereochemical activity of the lone pairs of the Pb(2+) and Te(4+) cations.

  5. α-Lead tellurite from single-crystal data

    Directory of Open Access Journals (Sweden)

    Adam I. Stash

    2008-03-01

    Full Text Available The crystal structure of the title compound, α-PbTeO3 (PTO, has been reported previously by Mariolacos [Anz. Oesterr. Akad. Wiss. Math. Naturwiss. Kl. (1969, 106, 128–130], refined on powder data. The current determination at room temperature from data obtained from single crystals grown by the Czochralski method shows a significant improvement in the precision of the geometric parameters when all atoms have been refined anisotropically. The selection of a centrosymmetric (C2/c structure model was confirmed by the second harmonic generation test. The asymmetric unit contains three formula units. The structure of PTO is built up of three types of distorted [PbOx] polyhedra (x = 7 and 9 which share their O atoms with TeO3 pyramidal units. These main anionic polyhedra are responsible for establishing the two types of tunnel required for the stereochemical activity of the lone pairs of the Pb2+ and Te4+ cations.

  6. Monitoring Lidocaine Single-Crystal Dissolution by Ultraviolet Imaging

    DEFF Research Database (Denmark)

    Ostergaard, Jesper; Ye, Fengbin; Rantanen, Jukka

    2011-01-01

    Dissolution critically affects the bioavailability of Biopharmaceutics Classification System class 2 compounds. When unexpected dissolution behaviour occurs, detailed studies using high information content technologies are warranted. In the present study, an evaluation of real‐time ultraviolet (UV......) 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...

  7. 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.

  8. 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.

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

    Science.gov (United States)

    Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Murali, Banavoth; Alarousu, Erkki; Burlakov, Victor M.; Peng, Wei; Dursun, Ibrahim; Wang, Lingfei; He, Yao; Maculan, Giacomo; Goriely, Alain; Wu, Tom; Mohammed, Omar F.; Bakr, Osman M.

    2015-07-01

    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.

  10. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    X Sahaya Shajan; C Mahadevan

    2004-08-01

    Calcium tartrate single crystals were grown using silica gel as the growth medium. Calcium formate mixed with formic acid was taken as the supernatant solution. It was observed that the nucleation density was reduced and the size of the crystals was improved to a large extent compared to the conventional way of growing calcium tartrate crystals with calcium chloride. The role played by formate–formic acid on the growth of crystals is discussed. 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.

  11. Regeneration of LOHC dehydrogenation catalysts: In-situ IR spectroscopy on single crystals, model catalysts, and real catalysts from UHV to near ambient pressure

    Energy Technology Data Exchange (ETDEWEB)

    Amende, Max, E-mail: max.amende@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Kaftan, Andre, E-mail: andre.kaftan@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Bachmann, Philipp, E-mail: philipp.bachmann@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Brehmer, Richard, E-mail: richard.brehmer@fau.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Preuster, Patrick, E-mail: patrick.preuster@fau.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Koch, Marcus, E-mail: marcus.koch@crt.cbi.uni-erlangen.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); and others

    2016-01-01

    Graphical abstract: - Highlights: • We examine the regeneration of Pt-based catalysts poisoned by LOHC degradation. • A microscopic mechanism of the removal of degradation products from Pt is proposed. • Results of our UHV studies on model catalysts are transferred to real catalysis. • Oxidative regeneration of Pt/alumina is possible under mild conditions (600 K). • The degree and temperature regime of regeneration depends on the catalyst morphology. - Abstract: The Liquid Organic Hydrogen Carrier (LOHC) concept offers an efficient route to store hydrogen using organic compounds that are reversibly hydrogenated and dehydrogenated. One important challenge towards application of the LOHC technology at a larger scale is to minimize degradation of Pt-based dehydrogenation catalysts during long-term operation. Herein, we investigate the regeneration of Pt/alumina catalysts poisoned by LOHC degradation. We combine ultrahigh vacuum (UHV) studies on Pt(111), investigations on well-defined Pt/Al{sub 2}O{sub 3} model catalysts, and near-ambient pressure (NAP) measurements on real core–shell Pt/Al{sub 2}O{sub 3} catalyst pellets. The catalysts were purposely poisoned by reaction with the LOHC perhydro-dibenzyltoluene (H18-MSH) and with dicyclohexylmethane (DCHM) as a simpler model compound. We focus on oxidative regeneration under conditions that may be applied in real dehydrogenation reactors. The degree of poisoning and regeneration under oxidative reaction conditions was quantified using CO as a probe molecule and measured by infrared reflection-absorption spectroscopy (IRAS) and diffuse reflectance Fourier transform IR spectroscopy (DRIFTS) for planar model systems and real catalysts, respectively. We find that regeneration strongly depends on the composition of the catalyst surface. While the clean surface of a poisoned Pt(111) single crystal is fully restored upon thermal treatment in oxygen up to 700 K, contaminated Pt/Al{sub 2}O{sub 3} model catalyst and

  12. SIMULATED THREE DIMENSIONAL MORPHOLOGICAL LANDSCAPE OF POLYMER SINGLE CRYSTALS BY PHASE-FIELD MODEL%聚合物单晶生长的三维相场模拟研究

    Institute of Scientific and Technical Information of China (English)

    王冬; 苗宗成; 王向轲; 曹晖

    2013-01-01

    The polymer crystallization process and mechanism were studied by computer simulation method. It is benefit to understand the crystallization kinetics by comparing the simulated results with the experimental results. Based on a nonconserved spatiotemporal Ginzburg-Landau equation TDGL model, a novel three dimensional phase field model was established by combining the cellular automaton method with the general phase field model. For simulating the real three dimensional polymer crystallization process, the cellular automaton method was modified by the different steric structures and discretization methods. The different steric structures or discretization methods are related to the lattice parameters of syndiotactic polypropylene single crystals and the crystal growth faces of polymer single crystals. It was suggested that the novel method is a way of building bridges between the diffusion equation and polymer characterization. Moreover, the diffusion equations are discretized according to the diffusion coefficient of every lattice site in various crystal growth faces,and the shape of lattice is selected based on the real proportion of the unit cell dimensions. Especially, the other physics parameters of syndiotactic polypropylene also were introduced into the phase field model. The spatio-temporal growth of syndiotactic polypropylene single crystals during isothermal crystallization was simulated by the novel three dimensional phase field model. Three dimensional numerical calculations are performed to elucidate the faceted single crystal growth including square, rectangular, lozenge-shaped, and hexagonal single crystals. The corresponding three dimensional results were illustrated by the MatLab. Our simulated patterns are in good agreement with the experimental morphologies, and the physical origin of polymer single crystal growth is discussed.%利用元胞自动机方法与相场模型的结合建立新型三维模拟相场模型.同时,为模拟真实的、三

  13. Physicochemical principles of high-temperature crystallization and single crystal growth methods

    Science.gov (United States)

    Bagdasarov, Kh. S.

    The mechanisms of crystal growth are reviewed, with attention given to the physicochemical reactions taking place in the melt near the phase boundary; phenomena determining physical and chemical kinetics directly at the growth front; solid-phase processes occurring within the crystal. Methods for growing refractory single crystals are discussed with particular reference to the Verneuil method, zone melting, Czhochralskii growth, horizontal directional solidification, and the Stockbarger method. Methods for growing crystals of complex geometrical shapes are also discussed.

  14. The Growth of Large Single Crystals.

    Science.gov (United States)

    Baer, Carl D.

    1990-01-01

    Presented is an experiment which demonstrates principles of experimental design, solubility, and crystal growth and structure. Materials, procedures and results are discussed. Suggestions for adapting this activity to the high school laboratory are provided. (CW)

  15. Growing Single Crystals of Compound Semiconductors

    Science.gov (United States)

    Naumann, Robert J.; Lehoczky, Sandor L.; Frazier, Donald O.

    1987-01-01

    Defect reduced by preventing melt/furnace contact and suppressing convention. Large crystals of compound semiconductors with few defects grown by proposed new method. Such materials as gallium arsenide and cadmium telluride produced, with quality suitable for very-large-scale integrated circuits or for large focal-plane arrays of photodetectors. Method used on small scale in Earth gravity, but needs microgravity to provide crystals large enough for industrial use.

  16. The optical properties of bismuth germanium oxide single crystals

    Directory of Open Access Journals (Sweden)

    ANDREJA VALCIC

    2000-09-01

    Full Text Available Bi12GeO20 single crystals were grown by the Czochralski technique. Suitable polishing and etching solutions were determined. Reflection spectra were recorded in the wave numbers range 20–5000 cm–1, and compared with the spectra of Bi12SiO20 single crystals to study the position of the phonon modes. The optical constants of the Bi12GeO20 single crystals were obtained using Kramers-Kronig analysis. The obtained results are dicussed and compared with published data.

  17. Dielectric and baric characteristics of TlS single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Mustafaeva, S.N., E-mail: solmust@gmail.com [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan); Asadov, M.M. [Institute of Chemical Problems, ANAS, G. Javid prosp. 29, Az 1143 Baku (Azerbaijan); Ismailov, A.A. [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan)

    2014-11-15

    The investigation of the frequency dependences of the dielectric coefficients and ac-conductivity of the TlS single crystals made it possible to elucidate the nature of dielectric loss and the charge transfer mechanism. Moreover, we evaluated the density and energy spread of localized states near the Fermi level, the average hopping time and the average hopping length. It was shown that the dc-conductivity of the TlS single crystals can be controlled by varying the hydrostatic pressure. This has opened up possibilities for using TlS single crystals as active elements of pressure detectors.

  18. 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

    unprecedented potential to be controlled with atomic layer accuracy without random alloying. We show for the first time that crystal phase quantum dots are a source of pure single-photons and cascaded photon-pairs from type II transitions with excellent optical properties in terms of intensity and line width...... quantum optical properties for single photon application and quantum optics.......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 offer...

  19. Growth and characterization of diammonium copper disulphate hexahydrate single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Siva Sankari, R. [Department of Physics, Agni College of Technology, Thalambur, Chennai 603103 (India); Perumal, Rajesh Narayana, E-mail: r.shankarisai@gmail.com [Department of Physics, SSN College of Engineering, Kalavakkam, Chennai 603110 (India)

    2014-03-01

    Graphical abstract: Diammonium copper disulphate hexahydrate (DACS) is one of the most promising inorganic dielectric crystals with exceptional mechanical properties. Good quality crystals of DACS were grown by using solution method in a period of 30 days. The grown crystals were subjected to single crystal X-ray diffraction analysis in order to establish their crystalline nature. Thermo gravimetric, differential thermal analysis, FTIR, and UV–vis–NIR analysis were performed for the crystal. Several solid state physical parameters have been determined for the grown crystals. The dielectric constant and the dielectric loss and AC conductivity of the grown crystal were studied as a function of frequency and temperature has been calculated and plotted. - Highlights: • Diammonium copper disulphate is grown for the first time and CCDC number obtained. • Thermal analysis is done to see the stability range of the crystals. • Band gap and UV cut off wavelength of the crystal are determined to be 2.4 eV and 472.86 nm, respectively. • Dielectric constant, dielectric loss and AC conductivity are plotted as a function of applied field. - Abstract: Diammonium copper disulphate hexahydrate is one of the most promising inorganic crystals with exceptional dielectric properties. A good quality crystal was harvested in a 30-day period using solution growth method. The grown crystal was subjected to various characterization techniques like single crystal X-ray diffraction analysis, thermo gravimetric, differential thermal analysis, FTIR, and UV–vis–NIR analysis. Unit cell dimensions of the grown crystal have been identified from XRD studies. Functional groups of the title compounds have been identified from FTIR studies. Thermal stability of the samples was checked by TG/DTA studies. Band gap of the crystal was calculated. The dielectric constant and dielectric loss were studied as a function of frequency of the applied field. AC conductivity was plotted as a function

  20. Growth and characterization of organic material 4-dimethylaminobenzaldehyde single crystal

    Science.gov (United States)

    Jebin, R. P.; Suthan, T.; Rajesh, N. P.; Vinitha, G.; Madhusoodhanan, U.

    2015-01-01

    The organic material 4-dimethylaminobenzaldehyde single crystals were grown by slow evaporation technique. The grown crystal was confirmed by the single crystal and powder X-ray diffraction analyses. The functional groups of the crystal have been identified from the Fourier Transform Infrared (FTIR) and FT-Raman studies. The optical property of the grown crystal was analyzed by UV-Vis-NIR and photoluminescence (PL) spectral measurements. The thermal behavior of the grown crystal was analyzed by thermogravimetric (TG) and differential thermal analyses (DTA). Dielectric measurements were carried out with different frequencies by using parallel plate capacitor method. The third order nonlinear optical properties of 4-dimethylaminobenzaldehyde was measured by the Z-scan technique using 532 nm diode pumped continuous wave (CW) Nd:YAG laser.

  1. Single crystal Processing and magnetic properties of gadolinium nickel

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-01-01

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

  2. Single-Crystal Bismuth Iodide Gamma-Ray Spectrometers

    Science.gov (United States)

    2012-02-01

    grow high quality Bib single crystals (> 1 cm3 in volume) via a high temperature modified Bridgman crystal growth technique. We will then test and...methods to improve Bib crystals. Finally, test structures will be designed and their performance will be assessed using a variety of small, calibrated...characteristics of the test structures (basic material properties for Bib ). While the main objectives of the project have not changed, more emphasis is

  3. The refractive index of zinc oxide microwire single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Czekalla, Christian; Kuehne, Philipp; Sturm, Chris; Schmidt-Grund, Ruediger; Grundmann, Marius [Universitaet Leipzig (Germany). Fakultaet fuer Physik und Geowissenschaften, Institut fuer Experimentelle Physik II

    2010-07-01

    Among a large number of applications, zinc oxide (ZnO) single crystals (bulk and micro- and nanowires) are expected to form important building blocks for future optoelectronic devices like light emitting and laser diodes. Optical resonances from ZnO structures have been observed by a number of groups in the past years. In most of the publications, modeling of the mode structure, especially in the near bandgap spectral region, is difficult because the energy dependent refractive index n(E) is typically not known. Additionally, in case of the self assembled micro- and nanowires, the structures are too small to perform spectroscopic ellipsometry to determine n(E). We compare n(E) obtained from (a) spectroscopic ellipsometry measurements of ZnO bulk single crystals and (b) spatially resolved photoluminescence measurements of ZnO microwires employing a plane wave whispering gallery mode model for the observed resonances. We discuss the differences between the results obtained from the two methods and their mutual impact, leading to a highly precise determination of n(E) in an energy range between 1.80 eV and 3.25 eV and for temperatures between 10 K and 295 K.

  4. Magnetic excitations of single-crystal PrBa2Cu3O6.2

    DEFF Research Database (Denmark)

    Lister, S.J.S.; Boothroyd, A.T.; Andersen, N.H.;

    2000-01-01

    Measurements of the low-energy magnetic excitations in single-crystal PrBa2Cu3O6.2, and in YBa2Cu3O6.2 for comparison, have been performed using inelastic neutron scattering. An excitation with weak dispersion is seen, which is compared to a spin-wave model based on the lowest lying crystal field...

  5. Single crystals of V Amylose complexed with glycerol

    NARCIS (Netherlands)

    Hulleman, S.H.D.; Helbert, W.; Chanzy, H.

    1996-01-01

    Lamellar single crystals of amylose V glycerol were grown at 100°C by evaporating water from solutions of amylose in aqueous glycerol. The crystals which were square, with lateral dimensions of several micrometers, gave sharp electron diffraction patterns presenting an orthorhombic symmetry with a p

  6. Growth features of ammonium hydrogen -tartrate single crystals

    Indian Academy of Sciences (India)

    G Sajeevkumar; R Raveendran; B S Remadevi; Alexander Varghese Vaidyan

    2004-08-01

    Ammonium hydrogen -tartrate (-AHT) single crystals were grown in silica gel. The growth features 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.

  7. Synthesis, Growth, and Characterization of Bisglycine Hydrobromide Single Crystal

    Directory of Open Access Journals (Sweden)

    Koteeswari Pandurangan

    2014-01-01

    Full Text Available Single crystals of BGHB were grown by slow evaporation technique. The unit cell dimensions and space group of the grown crystals were confirmed by single crystal X-ray diffraction. The modes of vibration of the molecules and the presence of functional groups were identified using FTIR technique. The microhardness study shows that the Vickers hardness number of the crystal increases with the increase in applied load. The optical properties of the crystals were determined using UV-Visible spectroscopy. The thermal properties of the grown crystal were also determined. The refractive index was determined as 1.396 using Brewster’s angle method. The emission of green light on passing the Nd: YAG laser light confirmed the second harmonic generation property of the crystals and the SHG efficiency of the crystals was found to be higher than that of KDP. The dielectric constant and dielectric loss measurements were carried out for different temperatures and frequencies. The ac conductivity study of the crystals was also discussed. The photoconductivity studies confirm that the grown crystal has negative photoconductivity nature. The etching studies were carried out to study the formation of etch pits.

  8. Dielectric behaviour of strontium tartrate single crystals

    Indian Academy of Sciences (India)

    S K Arora; Vipul Patel; Brijesh Amin; Anjana Kothari

    2004-04-01

    Strontium tartrate trihydrate (STT) crystals have been grown in silica hydrogel. Various polarization mechanisms such as atomic polarization of lattice, orientational polarization of dipoles and space charge polarization in the grown crystals have been understood using results of the measurements of dielectric constant (') and dielectric loss (tan ) as functions of frequency and temperature. Ion core type polarization is seen in the temperature range 75–180°C, and above 180°C, there is interfacial polarization for relatively lower frequency range. One observes dielectric dispersion at lower frequency presumably due to domain wall relaxation.

  9. 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

    Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations. Disloc...

  10. 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.

  11. HEiDi: Single crystal diffractometer at hot source

    Directory of Open Access Journals (Sweden)

    Martin Meven

    2015-08-01

    Full Text Available The single crystal diffractometer HEiDi, which is operated by the Institute of Crystallography, RWTH Aachen University and JCNS, Forschungszentrum Jülich, is designed for detailed studies on structural and magnetic properties of single crystals using unpolarised neutrons and Bragg’s Law: 2dhklsinθ = λ (typically 0.55 Å <λ< 1.2 Å.

  12. Blocks and residual stresses in shaped sapphire single crystals

    Science.gov (United States)

    Krymov, V. M.; Nosov, Yu. G.; Bakholdin, S. I.; Maslov, V. N.; Shul‧pina, I. L.; Nikolaev, V. I.

    2017-01-01

    The formation of blocks and residual stresses in shaped sapphire crystals grown from the melt by the Stepanov method (EFG) has been studied. The probability of block formation is higher for the growth along the c axis compared to that grown in the a-axis direction. The distribution of residual stress in sapphire crystals of tubular, rectangular and round cross section was measured by the conoscopy method. It was found that the magnitude of the residual stress increases from the center to the periphery of the crystal and reaches up to about 20 MPa. Residual stress tensor components for solid round rod and tubular single crystals were determined by numerical integration.

  13. Growth and characterization of organic single crystal benzyl carbamate

    Science.gov (United States)

    Bala Solanki, S. Siva; Perumal, Rajesh Narayana; Suthan, T.; Bhagavannarayana, G.

    2015-10-01

    Benzyl carbamate single crystal is grown by a solution and vertical Bridgman technique for the first time. The cell parameters and morphologies are assessed from single crystal X-ray diffraction analysis. High resolution X-ray diffraction analysis indicates the crystalline perfection of the grown benzyl carbamate crystal. Fourier Transforms Infrared spectroscopy study has been applied to arrive at the different functional groups. Thermo gravimetric analysis and differential scanning calorimetry are used to study its thermal behavior. The microhardness test is carried out and the load dependent hardness is measured.

  14. Studies on crystal growth and physical properties of 2-amino-5-chloropyridine single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Suthan, T. [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); Mahadevan, C.K. [Physics Research Centre, S.T. Hindu College, Nagercoil 629 002 (India); Bhagavannarayana, G. [C.G.C. Section, National Physical Laboratory, New Delhi 110 012 (India)

    2011-09-15

    Graphical abstract: 2-Amino-5-chloropyridine single crystal. Highlights: {yields} 2-Amino-5-chloropyridine single crystals grown by slow evaporation technique. {yields} Use acetone as solvent. {yields} Grown crystal conformed by XRD and FTIR. {yields} HRXRD, optical, thermal, dielectric and mechanical studies were analyzed. - Abstract: Organic 2-amino-5-chloropyridine single crystals have been grown by slow evaporation technique successfully. The grown crystal was confirmed by single and powder X-ray diffraction studies. The presence of functional groups was identified by Fourier transform infrared (FTIR) study. High resolution X-ray diffraction (HRXRD) analysis indicates the crystalline perfection of the grown crystal. 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 results indicate an increase in dielectric and conductivity parameters with the increase of temperature at all frequencies. The Vicker's hardness study reveals that the grown crystal is in soft nature.

  15. The lattice parameter of highly pure silicon single crystals

    Science.gov (United States)

    Becker, P.; Scyfried, P.; Siegert, H.

    1982-08-01

    From crystal to crystal comparison, the d 220 lattice spacing in PERFX and WASO silicon crystals used in the only two existing absolute measurements have been found to be equal within ±2×10-7 d 220. This demonstrates that generic variabilities of the two crystals account only for a small part of the 1.8×10-6 d 220 difference in the two absolute measurements. In a new series of 336 single measurements, our d 220 value reported recently has been confirmed within ±2×10-8 d 220. From these results we derive the following lattice parameter for highly pure silicon single crystals: a 0=(543 102.018±0.034) fm (at 22.5°C, in vacuum).

  16. The optical properties of alkali nitrate single crystals

    Science.gov (United States)

    Anan'ev, Vladimir; Miklin, Mikhail

    2000-08-01

    Absorption of non-polarized light by a uniaxial crystal has been studied. The degree of absorption polarization has been calculated as a function of the ratio of optical densities in the region of low and high absorbances. This function is proposed for analysis of the qualitative and quantitative characteristics of uniaxial crystal absorption spectra. Non-polarized light spectra of alkali nitrate single crystals, both pure and doped with thallium, have been studied. It is shown that the absorption band at 300 nm is due to two transitions, whose intensities depend on temperature in various ways. There is a weak band in a short wavelength range of the absorption spectrum of potassium nitrate crystal, whose intensity increases with thallium doping. The band parameters of alkali nitrate single crystals have been calculated. Low-energy transitions in the nitrate ion have been located.

  17. Growth and properties of benzil doped benzimidazole (BMZ) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India); Sukumar, M. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Vasudevan, V. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India); Shakir, Mohd. [Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India); Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Bhagavannarayana, G. [Crystal Growth and Crystallography Section, National Physical Laboratory, Krishnan Marg, New Delhi 110 012 (India)

    2010-09-15

    In the present work, we have made an attempt to study the effect of benzil doping on the properties of benzimidazole single crystals. For this purpose we have grown pure and benzil doped benzimidazole single crystals by vertical Bridgman technique. The grown crystals were characterized by various characterization techniques. The presence of dopants confirmed by powder X-ray diffraction (XRD). Crystalline perfection of the grown crystals has been analysed by high-resolution X-ray diffraction (HRXRD). The transmittance, electrical property and mechanical strength have been analysed using UV-vis-NIR spectroscopic, dielectric and Vicker's hardness studies. The relative second harmonic generation efficiency of pure and doped benzimidazole crystals measured using Kurtz powder test.

  18. Anisotropic behaviour of semiconducting tin monosulphoselenide single crystals

    Indian Academy of Sciences (India)

    T H Patel; Rajiv Vaidya; S G Patel

    2003-10-01

    Single crystals of ternary mixed compounds of group IV–VI in the form of a series, SnSSe1- (where = 0, 0.25, 0.50, 0.75 and 1), have been grown using direct vapour transport technique. The grown crystals were characterized by the X-ray diffraction analysis for their structural parameter determination. All the grown crystals were found to be orthorhombic. The microstructure analysis of the grown crystals reveals their layered type growth mechanism. From the Hall effect measurements Hall mobility, Hall coefficient and carrier concentration were calculated with all crystals showing -type nature. The d.c. electrical resistivity measurements perpendicular to -axis (i.e. along the basal plane) in the temperature range 303–453 K were carried out for grown crystals using four-probe method. The d.c. electrical resistivity measurements parallel to -axis (i.e. perpendicular to basal plane) in the temperature range 303–453 K were carried out for the same crystals. The electrical resistivity measurements showed an anisotropic behaviour of electrical resistivity for the grown crystals. The anisotropic behaviour and the effect of change in stoichiometric proportion of S and Se content on the electrical properties of single crystals of the series, SnSSe1- (where = 0, 0.25, 0.50, 0.75 and 1), is presented systematically.

  19. Anisotropy of nickel-base superalloy single crystals

    Science.gov (United States)

    Mackay, R. A.; Maier, R. D.; Dreshfield, R. L.

    1980-01-01

    The effects of crystal orientation on the mechanical properties of single crystals of the nickel-based superalloy Mar-M247 are investigated. Tensile tests at temperatures from 23 to 1093 C and stress rupture tests at temperatures from 760 to 1038 C were performed for 52 single crystals at various orientations. During tensile testing between 23 and 760 C, single crystals with high Schmid factors were found to be favorably oriented for slip and to exhibit lower strength and higher ductility than those with low Schmid factors. Crystals which required large rotations to become oriented for cross slip were observed to have the shortest stress rupture lives at 760 C, while those which required little or no rotation had the longest lives. In addition, stereographic triangles obtained for Mar-M247 and Mar-M200 single crystals reveal that crystals with orientations near the -111 had the highest lives, those near the 001 had high lives, and those near the 011 had low lives.

  20. Anisotropy of nickel-base superalloy single crystals

    Science.gov (United States)

    Mackay, R. A.; Maier, R. D.; Dreshfield, R. L.

    1980-01-01

    The effects of crystal orientation on the mechanical properties of single crystals of the nickel-based superalloy Mar-M247 are investigated. Tensile tests at temperatures from 23 to 1093 C and stress rupture tests at temperatures from 760 to 1038 C were performed for 52 single crystals at various orientations. During tensile testing between 23 and 760 C, single crystals with high Schmid factors were found to be favorably oriented for slip and to exhibit lower strength and higher ductility than those with low Schmid factors. Crystals which required large rotations to become oriented for cross slip were observed to have the shortest stress rupture lives at 760 C, while those which required little or no rotation had the longest lives. In addition, stereographic triangles obtained for Mar-M247 and Mar-M200 single crystals reveal that crystals with orientations near the -111 had the highest lives, those near the 001 had high lives, and those near the 011 had low lives.

  1. Crystallization Kinetics within a Generic Modelling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist

    2013-01-01

    An existing generic modelling framework has been expanded with tools for kinetic model analysis. The analysis of kinetics is carried out within the framework where kinetic constitutive models are collected, analysed and utilized for the simulation of crystallization operations. A modelling...... procedure is proposed to gain the information of crystallization operation kinetic model analysis and utilize this for faster evaluation of crystallization operations....

  2. Cladded single crystal fibers for high power fiber lasers

    Science.gov (United States)

    Kim, W.; Shaw, B.; Bayya, S.; Askins, C.; Peele, J.; Rhonehouse, D.; Meyers, J.; Thapa, R.; Gibson, D.; Sanghera, J.

    2016-09-01

    We report on the recent progress in the development of cladded single crystal fibers for high power single frequency lasers. Various rare earth doped single crystal YAG fibers with diameters down to 17 μm with length > 1 m have been successfully drawn using a state-of-the-art Laser Heated Pedestal Growth system. Single and double cladding on rare earth doped YAG fibers have been developed using glasses where optical and physical properties were precisely matched to doped YAG core single crystal fiber. The double clad Yb:YAG fiber structures have dimensions analogous to large mode area (LMA) silica fiber. We also report successful fabrications of all crystalline core/clad fibers where thermal and optical properties are superior over glass cladded YAG fibers. Various fabrication methods, optical characterization and gain measurements on these cladded YAG fibers are reported.

  3. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    Geetha Balakrishnan

    2008-10-01

    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 these furnaces produces crystals of superior quality, circumventing many of the problems associated with, for example, flux growth from the melt. This method enables the growth of large volumes of crystal, a prerequisite especially for experiments using neutron beams. Some examples of experimental results from crystals grown at Warwick, selected from numerous in-house studies and our collaborative research projects with other UK and international groups will be discussed.

  4. Mesoporous zeolite single crystals for catalytic hydrocarbon conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, C.H.; Hasselriis, Peter

    2005-01-01

    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.......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...

  5. Mesoporous zeolite single crystals for catalytic hydrocarbon conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, C.H.; Hasselriis, Peter

    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....

  6. A computer study and photoelectric property analysis of potassium-doped lithium niobate single crystals.

    Science.gov (United States)

    Wang, Wei; Wang, Rui; Zhang, Wen; Xing, Lili; Xu, Yanling; Wu, Xiaohong

    2013-09-14

    First-principles theory was used to design a potassium-doped lithium niobate single crystal. The structural, electronic, optical and ferroelectric properties of the potassium-doped LiNbO3 single crystal model have been investigated using a generalized gradient approximation within density functional theory. It was found that substitution with potassium drastically changed the optical and electronic nature of the crystal and that the band gap slightly decreases. A series of LiNbO3 single crystals doped with x mol% K (x = 0, 3, 6, 9, 12 mol%) were successfully grown using the Czochralski method. The crystals were characterized using powder X-ray diffraction, UV-vis-infrared absorption spectroscopy and a ferroelectric property test. The experimental test results were consistent with the calculated predictions.

  7. Growth of large naphthalene and anthracene single-crystal sheets at the liquid–air interface

    Energy Technology Data Exchange (ETDEWEB)

    Postnikov, V. A., E-mail: postva@yandex.ru [Donbas National Academy of Civil Engineering and Architecture (Ukraine); Chertopalov, S. V. [Donetsk National University (Ukraine)

    2015-07-15

    The growth of organic single crystals of naphthalene (C{sub 10}H{sub 8}) and anthracene (C{sub 14}H{sub 10}) at the liquid‒air interface from a mixture of solvents has been investigated. The growth technique used in the study makes it possible to obtain single-crystal sheets up to 10 mm in size for 24 h. The surface morphology and structure of the crystals have been analyzed by optical microscopy and X-ray diffraction. C{sub 10}H{sub 8} and C{sub 14}H{sub 10} single crystals grow coplanarly along the (001) plane. A thermodynamic model of the flat-crystal nucleus formation at the liquid‒air interface, based on the analysis of the change in the free Gibbs energy, is considered.

  8. Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

    Science.gov (United States)

    Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Comyn, Timothy P.; Chammas, Oliver; Harder, Ross J.; Duffy, Dorothy M.; Robinson, Ian K.; Meldrum, Fiona C.

    2016-06-01

    Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.

  9. Ion implantation of CdTe single crystals

    Directory of Open Access Journals (Sweden)

    Wiecek Tomasz

    2017-01-01

    Full Text Available Ion implantation is a technique which is widely used in industry for unique modification of metal surface for medical applications. In semiconductor silicon technology ion implantation is also widely used for thin layer electronic or optoelectronic devices production. For other semiconductor materials this technique is still at an early stage. In this paper based on literature data we present the main features of the implantation of CdTe single crystals as well as some of the major problems which are likely to occur when dealing with them. The most unexpected feature is the high resistance of these crystals against the amorphization caused by ion implantation even at high doses (1017 1/cm2. The second property is the disposal of defects much deeper in the sample then it follows from the modeling calculations. The outline of principles of the ion implantation is included in the paper. The data based on RBS measurements and modeling results obtained by using SRIM software were taken into account.

  10. Ion implantation of CdTe single crystals

    Science.gov (United States)

    Wiecek, Tomasz; Popovich, Volodymir; Bester, Mariusz; Kuzma, Marian

    2016-12-01

    Ion implantation is a technique which is widely used in industry for unique modification of metal surface for medical applications. In semiconductor silicon technology ion implantation is also widely used for thin layer electronic or optoelectronic devices production. For other semiconductor materials this technique is still at an early stage. In this paper based on literature data we present the main features of the implantation of CdTe single crystals as well as some of the major problems which are likely to occur when dealing with them. The most unexpected feature is the high resistance of these crystals against the amorphization caused by ion implantation even at high doses (1017 1/cm2). The second property is the disposal of defects much deeper in the sample then it follows from the modeling calculations. The outline of principles of the ion implantation is included in the paper. The data based on RBS measurements and modeling results obtained by using SRIM software were taken into account.

  11. Molecular studies of model surfaces of metals from single crystals to nanoparticles under catalytic reaction conditions. Evolution from prenatal and postmortem studies of catalysts.

    Science.gov (United States)

    Somorjai, Gabor A; Aliaga, Cesar

    2010-11-02

    Molecular level studies of metal crystal and nanoparticle surfaces under catalytic reaction conditions at ambient pressures during turnover were made possible by the use of instruments developed at the University of California at Berkeley. Sum frequency generation vibrational spectroscopy (SFGVS), owing to its surface specificity and sensitivity, is able to identify the vibrational features of adsorbed monolayers of molecules. We identified reaction intermediates, different from reactants and products, under reaction conditions and for multipath reactions on metal single crystals and nanoparticles of varying size and shape. The high-pressure scanning tunneling microscope (HP-STM) revealed the dynamics of a catalytically active metallic surface by detecting the mobility of the adsorbed species during catalytic turnover. It also demonstrated the reversible and adsorbate-driven surface restructuring of platinum when exposed to molecules such as CO and ethylene. Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) detected the reversible changes of surface composition in rhodium-palladium, platinum-palladium, and other bimetallic nanoparticles as the reactant atmosphere changed from oxidizing to reducing. It was found that metal nanoparticles of less than 2 nm in size are present in higher oxidation states, which alters and enhances their catalytic activity. The catalytic nanodiode (CND) confirmed that a catalytic reaction-induced current flow exists at oxide-metal interfaces, which correlates well with the reaction turnover.

  12. Method of making macrocrystalline or single crystal semiconductor material

    Science.gov (United States)

    Shlichta, P. J. (Inventor); Holliday, R. J. (Inventor)

    1986-01-01

    A macrocrystalline or single crystal semiconductive material is formed from a primary substrate including a single crystal or several very large crystals of a relatively low melting material. This primary substrate is deposited on a base such as steel or ceramic, and it may be formed from such metals as zinc, cadmium, germanium, aluminum, tin, lead, copper, brass, magnesium silicide, or magnesium stannide. These materials generally have a melting point below about 1000 C and form on the base crystals the size of fingernails or greater. The primary substrate has an epitaxial relationship with a subsequently applied layer of material, and because of this epitaxial relationship, the material deposited on the primary substrate will have essentially the same crystal size as the crystals in the primary substrate. If required, successive layers are formed, each of a material which has an epitaxial relationship with the previously deposited layer, until a layer is formed which has an epitaxial relationship with the semiconductive material. This layer is referred to as the epitaxial substrate, and its crystals serve as sites for the growth of large crystals of semiconductive material. The primary substrate is passivated to remove or otherwise convert it into a stable or nonreactive state prior to deposition of the seconductive material.

  13. Molecular Surface Chemistry by Metal Single Crystals and Nanoparticles from Vacuum to High Pressure.

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Park, Jeong Y.

    2008-04-05

    Model systems for studying molecular surface chemistry have evolved from single crystal surfaces at low pressure to colloidal nanoparticles at high pressure. Low pressure surface structure studies of platinum single crystals using molecular beam surface scattering and low energy electron diffraction techniques probe the unique activity of defects, steps and kinks at the surface for dissociation reactions (H-H, C-H, C-C, O{double_bond}O bonds). High-pressure investigations of platinum single crystals using sum frequency generation vibrational spectroscopy have revealed the presence and the nature of reaction intermediates. High pressure scanning tunneling microscopy of platinum single crystal surfaces showed adsorbate mobility during a catalytic reaction. Nanoparticle systems are used to determine the role of metal-oxide interfaces, site blocking and the role of surface structures in reactive surface chemistry. The size, shape and composition of nanoparticles play important roles in determining reaction activity and selectivity.

  14. 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.

  15. Shock Hugoniot behavior of single crystal titanium using atomistic simulations

    Science.gov (United States)

    Mackenchery, Karoon; Dongare, Avinash

    2017-01-01

    Atomistic shock simulations are performed for single crystal titanium using four different interatomic potentials at impact velocities ranging from 0.5 km/s to 2.0 km/s. These potentials comprise of three parameterizations in the formulation of the embedded atom method and one formulation of the modified embedded atom method. The capability of the potentials to model the shock deformation and failure behavior is investigated by computing the shock hugoniot response of titanium and comparing to existing experimental data. In addition, the capability to reproduce the shock induced alpha (α) to omega (ω) phase transformation seen in Ti is investigated. The shock wave structure is discussed and the velocities for the elastic, plastic and the α-ω phase transformation waves are calculated for all the interatomic potentials considered.

  16. Lateral IBIC characterization of single crystal synthetic diamond detectors

    CERN Document Server

    Giudice, A Lo; Manfredotti, C; Marinelli, M; Milani, E; Picollo, F; Prestopino, G; Re, A; Rigato, V; Verona, C; Verona-Rinati, G; Vittone, E

    2016-01-01

    In order to evaluate the charge collection efficiency (CCE) profile of single-crystal diamond devices based on a p type/intrinsic/metal configuration, a lateral Ion Beam Induced Charge (IBIC) analysis was performed over their cleaved cross sections using a 2 MeV proton microbeam. CCE profiles in the depth direction were extracted from the cross-sectional maps at variable bias voltage. IBIC spectra relevant to the depletion region extending beneath the frontal Schottky electrode show a 100% CCE, with a spectral resolution of about 1.5%. The dependence of the width of the high efficiency region from applied bias voltage allows the constant residual doping concentration of the active region to be evaluated. The region where the electric field is absent shows an exponentially decreasing CCE profile, from which it is possible to estimate the diffusion length of the minority carriers by means of a drift-diffusion model.

  17. Crystal-Orientation Dependent Evolution of Edge Dislocations from a Void in Single Crystal Gu

    Institute of Scientific and Technical Information of China (English)

    SONG Zhen-Fei; ZHU Wen-Jun; DENG Xiao-Liang; HE Hong-Liang

    2006-01-01

    @@ The micro-void growth by dislocation emission under tensile loading is explored with focus on the influence of crystal orientations. Based on the elastic theory, a dislocation emission criterion is formulated. It is predicted that the preferential location of dislocation nucleation and its threshold stress are dependent on the crystal orientation.Large-scale molecular dynamics (MD) simulations are also performed for single crystal copper to illustrate the dislocation evolution pattern associated with a nano-void growth. The results are in line with those given by the theoretical prediction. As revealed by MD simulations, the characteristics of void growth at micro-scale depend greatly on the crystal-orientation.

  18. Crystallization phase diagram, the growth of large single crystals of bovine {beta}-Lactoglobulin A

    Energy Technology Data Exchange (ETDEWEB)

    Yagi, D; Ohnishi, Y; Tanaka, I; Niimura, N, E-mail: niimura@mx.ibaraki.ac.jp

    2010-11-01

    A crystallization phase diagram defining the meta-stable region of bovine {beta}-lactoglobulin A ({beta}-Lg) was firstly determined by a dialysis method. We have succeeded in growing a large single crystal of {beta}-Lg by selecting a crystal grown in this ''meta-stable region'' method described in the present paper. The quality of protein crystals was characterized quantitatively via rapid X-ray data collections, followed by the use of Wilson plots to analyze their resulting average B-factors.

  19. Crystallization phase diagram, the growth of large single crystals of bovine β-Lactoglobulin A

    Science.gov (United States)

    Yagi, D.; Ohnishi, Y.; Tanaka, I.; Niimura, N.

    2010-11-01

    A crystallization phase diagram defining the meta-stable region of bovine β-lactoglobulin A (β-Lg) was firstly determined by a dialysis method. We have succeeded in growing a large single crystal of β-Lg by selecting a crystal grown in this "meta-stable region" method described in the present paper. The quality of protein crystals was characterized quantitatively via rapid X-ray data collections, followed by the use of Wilson plots to analyze their resulting average B-factors.

  20. Crystal growth and characterization of third order nonlinear optical piperazinium bis(4-hydroxybenzenesulphonate) (P4HBS) single crystal

    Science.gov (United States)

    Pichan, Karuppasamy; Muthu, Senthil Pandian; Perumalsamy, Ramasamy

    2017-09-01

    The organic single crystal of piperazinium bis(4-hydroxybenzenesulphonate) (P4HBS) was grown by slow evaporation solution technique (SEST) at room temperature. The lattice parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis. Functional groups of P4HBS crystal were confirmed by FTIR spectrum analysis. The optical quality of the grown crystal was identified by the UV-Vis NIR spectrum analysis. The grown crystal has good optical transmittance in the range of 410-1100 nm. In photoluminescence spectrum, sharp emission peaks are observed, which indicates the ultraviolet (UV) emission. The photoconductivity study reveals that the grown crystal has negative photoconductive nature. The thermal behaviour of the P4HBS crystal was investigated by thermogravimetric and differential thermal analysis (TG-DTA). The mechanical stability of grown crystal was analyzed and the indentation size effect (ISE) was explained by Hays-Kendall's (HK) approach and proportional specimen resistance model (PSRM). Chemical etching study was carried out and the etch pit density (EPD) was calculated. The dielectric constant (ε‧) and dielectric loss (tan δ) as a function of frequency were measured for the grown crystal. The solid state parameters such as valence electron, plasma energy, Penn gap and Fermi energy were evaluated theoretically for the P4HBS using the empirical relation. The estimated values are used to calculate the electronic polarizability. The third-order nonlinear optical properties such as nonlinear refractive index (n2), absorption co-efficient (β) and susceptibility (χ(3)) were studied by Z-scan technique at 632.8 nm using He-Ne laser.

  1. Growth and high pressure studies of zirconium sulphoselenide single crystals

    Indian Academy of Sciences (India)

    K R Patel; R D Vaidya; M S Dave; S G Patel

    2009-11-01

    Transition metal trichalcogenides are well suited for extreme pressure lubrication. These materials being semiconducting and of layered structure may undergo structural and electronic transition under pressure. In this paper authors reported the details about synthesis and characterization of zirconium sulphoselenide single crystals. The chemical vapour transport technique was used for the growth of zirconium sulphoselenide single crystals. The energy dispersive analysis by X-ray (EDAX) gave the confirmation about the stoichiometry of the as-grown crystals and other structural characterizations were accomplished by X-ray diffraction (XRD) study. The variation of electrical resistance was monitored in a Bridgman opposed anvil set-up up to 8 GPa pressure to identify the occurrence of any structural transition. These crystals do not possess any structural transitions upto the pressure limit examined.

  2. Geometric constraints on phase coexistence in vanadium dioxide single crystals

    Science.gov (United States)

    McGahan, Christina; Gamage, Sampath; Liang, Jiran; Cross, Brendan; Marvel, Robert E.; Haglund, Richard F.; Abate, Yohannes

    2017-02-01

    The appearance of stripe phases is a characteristic signature of strongly correlated quantum materials, and its origin in phase-changing materials has only recently been recognized as the result of the delicate balance between atomic and mesoscopic materials properties. A vanadium dioxide (VO2) single crystal is one such strongly correlated material with stripe phases. Infrared nano-imaging on low-aspect-ratio, single-crystal VO2 microbeams decorated with resonant plasmonic nanoantennas reveals a novel herringbone pattern of coexisting metallic and insulating domains intercepted and altered by ferroelastic domains, unlike previous reports on high-aspect-ratio VO2 crystals where the coexisting metal/insulator domains appear as alternating stripe phases perpendicular to the growth axis. The metallic domains nucleate below the crystal surface and grow towards the surface with increasing temperature as suggested by the near-field plasmonic response of the gold nanorod antennas.

  3. Single-Crystal Structure of a Covalent Organic Framework

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, YB; Su, J; Furukawa, H; Yun, YF; Gandara, F; Duong, A; Zou, XD; Yaghi, OM

    2013-11-06

    The crystal structure of a new covalent organic framework, termed COF-320, is determined by single-crystal 3D electron diffraction using the rotation electron diffraction (RED) method for data collection. The COF crystals are prepared by an imine condensation of tetra-(4-anilyl)methane and 4,4'-biphenyldialdehyde in 1,4-dioxane at 120 degrees C to produce a highly porous 9-fold interwoven diamond net. COF-320 exhibits permanent porosity with a Langmuir surface area of 2400 m(2)/g and a methane total uptake of 15.0 wt % (176 cm(3)/cm(3)) at 25 degrees C and 80 bar. The successful determination of the structure of COF-320 directly from single-crystal samples is an important advance in the development of COF chemistry.

  4. Geometric constraints on phase coexistence in vanadium dioxide single crystals.

    Science.gov (United States)

    McGahan, Christina; Gamage, Sampath; Liang, Jiran; Cross, Brendan; Marvel, Robert E; Haglund, Richard F; Abate, Yohannes

    2017-02-24

    The appearance of stripe phases is a characteristic signature of strongly correlated quantum materials, and its origin in phase-changing materials has only recently been recognized as the result of the delicate balance between atomic and mesoscopic materials properties. A vanadium dioxide (VO2) single crystal is one such strongly correlated material with stripe phases. Infrared nano-imaging on low-aspect-ratio, single-crystal VO2 microbeams decorated with resonant plasmonic nanoantennas reveals a novel herringbone pattern of coexisting metallic and insulating domains intercepted and altered by ferroelastic domains, unlike previous reports on high-aspect-ratio VO2 crystals where the coexisting metal/insulator domains appear as alternating stripe phases perpendicular to the growth axis. The metallic domains nucleate below the crystal surface and grow towards the surface with increasing temperature as suggested by the near-field plasmonic response of the gold nanorod antennas.

  5. 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)

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

    OpenAIRE

    Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Murali, Banavoth; Alarousu, Erkki; Burlakov, Victor M.; Peng, Wei; Dursun, Ibrahim; Wang, Lingfei; He, Yao; Maculan, Giacomo; Goriely, Alain; Wu, Tom; Mohammed, Omar F.; Bakr, Osman M.

    2015-01-01

    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 e...

  7. Skylab experiments on semiconductors and alkali halides. [single crystal growth

    Science.gov (United States)

    Lundquist, C. A.

    1974-01-01

    The space processing experiments performed during the Skylab missions included one on single crystal growth of germanium selenide and telluride, one on pure and doped germanium crystals, two on pure and doped indium antimonide, one on gallium-indium-antimony systems, and one on a sodium chloride-sodium fluoride eutectic. In each experiment, three ampoules of sample were processed in the multipurpose electric furnace within the Skylab Materials Processing Facility. All were successful in varying degrees and gave important information about crystal growth removed from the effects of earth surface gravity.

  8. Is the methanation reaction over Ru single crystals structure dependent?

    DEFF Research Database (Denmark)

    Vendelbo, Søren Bastholm; Johansson, Martin; Nielsen, Jane Hvolbæk;

    2011-01-01

    The influence of monoatomic steps and defects on the methanation reaction over ruthenium has been investigated. The experiments are performed on a Ru(0 1 54) ruthenium single crystal, which contains one monoatomic step atom for each 27 terrace atoms. The methanation activity is measured at one ba...... front-side of the crystal is poisoned faster than the entire crystal containing more defects. We also observe that additional sputtering of the well-defined front-side increases the reactivity measured on the surface. Based on this, we conclude that the methanation reaction takes place...

  9. Single Crystal Growth of Zirconia Utilizing a Skull Melting Technique,

    Science.gov (United States)

    1979-08-01

    help eliminate many crystal growth problems. The flame-fusion apparatus was invented by A. Verneuil 3 over 75 years ago and has been used for growth of...AOAO2 23 OMEAIRDEVLOPENT CNT RI RIFISS AFB NY F /S .7/ NGLE CRYSTAL GROWTH OF Z RONA UT IXZIN A SKULL MELTING TE-SCUl AUG 79 A C MARSHALL, J A ADAMSK...Crucible-less synthesis 50. ABSTRACT (Ceefiw.. - eooe edi. ,.e.eimwd identiby Slek ~b.,) Investigation into the growth of single crystal materials are

  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. Single Crystal Synthesis and STM Studies of High Temperature Superconductors

    Science.gov (United States)

    Barrientos, Alfonso

    1997-01-01

    This is a final report for the work initiated in September of 1994 under the grant NAG8-1085 - NASA/OMU, on the fabrication of bulk and single crystal synthesis, specific heat measuring and STM studies of high temperature superconductors. Efforts were made to fabricate bulk and single crystals of mercury based superconducting material. A systematic thermal analysis on the precursors for the corresponding oxides and carbonates were carried out to synthesized bulk samples. Bulk material was used as seed in an attempt to grow single crystals by a two-step self flux process. On the other hand bulk samples were characterized by x-ray diffraction, electrical resistivity and magnetic susceptibility, We studied the specific heat behavior in the range from 80 to 300 K. Some preliminary attempts were made to study the atomic morphology of our samples. As part of our efforts we built an ac susceptibility apparatus for measuring the transition temperature of our sintered samples.

  12. Heterogeneous Monolithic Integration of Single-Crystal Organic Materials.

    Science.gov (United States)

    Park, Kyung Sun; Baek, Jangmi; Park, Yoonkyung; Lee, Lynn; Hyon, Jinho; Koo Lee, Yong-Eun; Shrestha, Nabeen K; Kang, Youngjong; Sung, Myung Mo

    2017-02-01

    Manufacturing high-performance organic electronic circuits requires the effective heterogeneous integration of different nanoscale organic materials with uniform morphology and high crystallinity in a desired arrangement. In particular, the development of high-performance organic electronic and optoelectronic devices relies on high-quality single crystals that show optimal intrinsic charge-transport properties and electrical performance. Moreover, the heterogeneous integration of organic materials on a single substrate in a monolithic way is highly demanded for the production of fundamental organic electronic components as well as complex integrated circuits. Many of the various methods that have been designed to pattern multiple heterogeneous organic materials on a substrate and the heterogeneous integration of organic single crystals with their crystal growth are described here. Critical issues that have been encountered in the development of high-performance organic integrated electronics are also addressed.

  13. Surface enhanced raman spectroscopy studies on triglycine sulphate single crystals

    Science.gov (United States)

    Parameswari, A.; Mohamed Asath, R.; Premkumar, R.; Milton Franklin Benial, A.

    2017-01-01

    Adsorption characteristics of triglycine sulphate (TGS) on silver (Ag) surface were investigated based on density functional theory calculations and surface enhanced Raman spectroscopy (SERS) technique. The single crystals of TGS were grown by slow evaporation method. Ag nanoparticles (Ag NPs) were prepared by solution combustion method and characterized. The calculated and observed structural parameters of TGS molecule were compared. Raman and SERS spectra for TGS single crystal were studied experimentally and validated theoretically. Frontier molecular orbitals (FMOs) analysis was carried out for TGS and TGS adsorbed on Ag surface. The second harmonic generation measurements confirm the nonlinear optical (NLO) activity of the TGS molecule. SERS spectral analysis reveals that the TGS adsorbed as tilted orientation on the silver surface. The theoretical and experimental results evidence the suitability of the grown TGS single crystal for optoelectronic applications.

  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...... synchrotron X-rays, and of very accurate angular settings in the ultrahigh-vacuum environment of the sample. We present the technique and discuss examples of experimental results....

  15. Crystal growth and characterization of new semiorganic nonlinear optical single crystals

    Science.gov (United States)

    Kulshrestha, Shobha; Shrivastava, A. K.

    2016-05-01

    An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40-45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm3, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.

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

    DEFF Research Database (Denmark)

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

    2005-01-01

    . 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......Zeolitcs are crystalline materials, which are widely used as solid acid catalysts and supports in many industrial processes. Recently, mesoporous MFI-type zeolite single crystals were synthesized by use of carbon particles as a mesopore template and sodium aluminate as the aluminum Source...

  17. Apparatus And Method For Producing Single Crystal Metallic Objects

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Shyh-Chin (Latham, NY); Gigliotti, Jr., Michael Francis X. (Scotia, NY); Rutkowski, Stephen Francis (Duanesburg, NY); Petterson, Roger John (Fultonville, NY); Svec, Paul Steven (Scotia, NY)

    2006-03-14

    A mold is provided for enabling casting of single crystal metallic articles including a part-defining cavity, a sorter passage positioned vertically beneath and in fluid communication with the part-defining cavity, and a seed cavity positioned vertically beneath and in fluid communication with the sorter passage. The sorter passage includes a shape suitable for encouraging a single crystal structure in solidifying molten metal. Additionally, a portion of the mold between the sorter passage and the part-defining cavity includes a notch for facilitating breakage of a cast article proximate the notch during thermal stress build-up, so as to prevent mold breakage or the inclusion of part defects.

  18. Growth of Solid Solution Single Crystals

    Science.gov (United States)

    Lehoczky, Sandor L.; Szofran, F. R.; Gillies, Donald C.

    2001-01-01

    The solidification of a solid solution semiconductor, having a wide separation between liquidus and solidus has been extensively studied in ground based, high magnetic field and Spacelab experiments. Two alloys of mercury cadmium telluride have been studied; with 80.0 mole percent of HgTe and 84.8 mole percent of HgTe respectively, the remainder being cadmium telluride. Such alloys are extremely difficult to grow by directional solidification on earth due to high solutal and thermal density differences that give rise to fluid flow and consequent loss of interface shape and composition. Diffusion controlled growth is therefore impossible to achieve in conventional directional solidification. The ground based experiments consisted of growing crystals in several different configurations of heat pipe furnaces, NASA's Advanced Automated Directional Solidification Furnace (AADSF), and a similar furnace incorporated in a superconducting magnet capable of operating at up to 5T. The first microgravity experiment took place during the flight of STS-62 in March 1994, with the AADSF installed on the second United States Microgravity Payload (USMP-2). The alloy was solidified at 3/4 inch per day over a 9 day period, and for the first time a detailed evaluation was performed correlating composition variations to measured residual acceleration. The second flight experiment took place in the fourth United States Microgravity Payload Mission (USMP-4) in November 1997. Due to contamination of the furnace system, analysis shows that the conditions prevailing during the experiment were quite different from the requirements requested prior to the mission. The results indicate that the sample did accomplish the desired objectives.

  19. Modelling of photonic crystal fibres

    DEFF Research Database (Denmark)

    Knudsen, Erik

    2003-01-01

    In the presenta ph.d. work a theoretical study of aspects of modelling photonic crystal fibres was carried out. Photonic crystal fibres form a class of optical waveguides where guidance is no longer provided by a difference in refractive index between core and cladding. Instead, guidance...... is provided by an arrangement of air-holes running along the length of the fibre. Depending on the geometry of the fibre, the guiding mechanism may be either arising from the formation of a photonic bandgap in the cladding structure (photonic bandgap fibre), or by an effect resembling total internal...... modes in contiguous fibre segments curved at different radii. Overall microbend loss is expressed as a statistical mean of mismatch losses. Extending a well proven, established formula for macrobending losses in stop index fibres, we provide an estimate of macrobend losses in an air-guiding photonic...

  20. Surface Binding and Organization of Sensitizing Dyes on Metal Oxide Single Crystal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Parkinson, Bruce

    2010-06-04

    Even though investigations of dye-sensitized nanocrystalline semiconductors in solar cells has dominated research on dye-sensitized semiconductors over the past two decades. Single crystal electrodes represent far simpler model systems for studying the sensitization process with a continuing train of studies dating back more than forty years. Even today single crystal surfaces prove to be more controlled experimental models for the study of dye-sensitized semiconductors than the nanocrystalline substrates. We analyzed the scientific advances in the model sensitized single crystal systems that preceded the introduction of nanocrystalline semiconductor electrodes. It then follows the single crystal research to the present, illustrating both their striking simplicity of use and clarity of interpretation relative to nanocrystalline electrodes. Researchers have employed many electrochemical, photochemical and scanning probe techniques for studying monolayer quantities of sensitizing dyes at specific crystallographic faces of different semiconductors. These methods include photochronocoulometry, electronic spectroscopy and flash photolysis of dyes at potential-controlled semiconductor electrodes and the use of total internal reflection methods. In addition, we describe the preparation of surfaces of single crystal SnS2 and TiO2 electrodes to serve as reproducible model systems for charge separation at dye sensitized solar cells. This process involves cleaving the SnS2 electrodes and a photoelectrochemical surface treatment for TiO2 that produces clean surfaces for sensitization (as verified by AFM) resulting in near unity yields for electron transfer from the molecular excited dyes into the conduction band.

  1. Role of crystal orientation on chemical mechanical polishing of single crystal copper

    Science.gov (United States)

    Zhu, Aibin; He, Dayong; Luo, Wencheng; Liu, Yangyang

    2016-11-01

    The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[-211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[-211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

  2. Crystal front shape control by use of an additional heater in a Czochralski sapphire single crystal growth system

    Science.gov (United States)

    Hur, Min-Jae; Han, Xue-Feng; Choi, Ho-Gil; Yi, Kyung-Woo

    2017-09-01

    The quality of sapphire single crystals used as substrates for LED production is largely influenced by two defects: dislocation density and bubbles trapped in the crystal. In particular, the dislocation density has a higher value in sapphire grown by the Czochralski (CZ) method than by other methods. In the present study, we predict a decreased value for the convexity and thermal gradient at the crystal front (CF) through the use of an additional heater in an induction-heated CZ system. In addition, we develop a solute concentration model by which the location of bubble formation in CZ growth is calculated, and the results are compared with experimental results. We further calculate the location of bubble entrapment corresponding with the use of an additional heater. We find that sapphire crystal growth with an additional heater yields a decreased thermal gradient at the CF, together with decreased CF convexity, improved energy efficiency, and improvements in terms of bubble formation location.

  3. Perovskite single crystals and thin films for optoelectronic devices (Conference Presentation)

    Science.gov (United States)

    Li, Gang; Han, Qifeng; Yang, Yang; Bae, Sang-Hoon; Sun, Pengyu

    2016-09-01

    Hybrid organolead trihalide perovskite (OTP) solar cells have developed as a promising candidate in photovoltaics due to their excellent properties including a direct bandgap, strong absorption coefficient, long carrier lifetime, and high mobility. Most recently, formamidinium (NH2CH=NH2+ or FA) lead iodide (FAPbI3) has attracted significant attention due to several advantages: (1) the larger organic FA cation can replace the MA cation and form a more symmetric crystal structure, (2) the smaller bandgap of FAPbI3 allows for near infrared (NIR) absorption, and (3) FAPbI3 has an elevated decomposition temperature and thus potential to improve stability. Single crystals provide an excellent model system to study the intrinsic electrical and optical properties of these materials due to their high purity, which is particularly important to understand the limits of these materials. In this work, we report the growth of large ( 5 millimeter size) single crystal FAPbI3 using a novel liquid based crystallization method. The single crystal FAPbI3 demonstrated a δ-phase to α-phase transition with a color change from yellow to black when heated to 185°C within approximately two minutes. The crystal structures of the two phases were identified and the PL emission peak of the α-phase FAPbI3 (820 nm) shows clear red-shift compared to the FAPbI3 thin film (805 nm). The FAPbI3 single crystal shows a long carrier lifetime of 484 ns, a high carrier mobility of 4.4 cm2·V-1·s-1, and even more interestingly a conductivity of 1.1 × 10-7(ohm·cm)-1, which is approximately one order of magnitude higher than that of the MAPbI3 single crystal. Finally, high performance photoconductivity type photodetectors were successfully demonstrated using the single crystal FAPbI3.

  4. Growth and characterization of morpholinium dihydrogenphosphate single crystal

    Science.gov (United States)

    Babu, D. Rajan; Arul, H.; Vizhi, R. Ezhil

    2016-10-01

    Morpholinium dihydrogenphosphate (MDP) single crystals were synthesized, and were subsequently grown by controlled evaporation technique at room temperature for nonlinear optical applications. The grown crystal, which belongs to the monoclinic system with the space group P21, was subjected to single crystal X-ray diffraction to confirm the structure. UV-vis-NIR spectroscopy was done on the grown crystal and it showed good optical transparency in the entire visible region with a minimum cut-off wavelength of 289 nm. The optical band gap was computed as a function of photon energy using Tauc's plot. The refractive index of the grown crystal was determined using a Metricon Prism Coupler. The thermogravimetric (TG) and differential thermal analysis (DTA) traces disclosed the thermal stability of the compound. The mechanical strength of the crystal was investigated by a Vickers microhardness tester. Dielectric constant and dielectric loss were calculated and plotted as a function of frequency at different temperatures. The second harmonic conversion efficiency was determined using the Kurtz-Perry powder technique, and the efficiency was found to be 1.2 times greater than that of standard KDP.

  5. 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.

  6. Near infrared to ultraviolet optical properties of bulk single crystal and nanocrystal thin film iron pyrite

    Science.gov (United States)

    Subedi, Indra; Bhandari, Khagendra P.; Ellingson, Randall J.; Podraza, Nikolas J.

    2016-07-01

    We report optical properties of iron pyrite (FeS2) determined from ex situ spectroscopic ellipsometry measurements made on both a commercially available bulk single crystal and nanocrystalline thin film over a spectral range of 0.735-5.887 eV. The complex dielectric function, ɛ (E) = ɛ 1 (E) + iɛ 2 (E), spectra have been determined by fitting a layered parametric model to the ellipsometric measurements. Spectra in ɛ are modeled using a Kramers-Kronig consistent critical point parabolic band model involving seven critical points for the bulk single crystal and four critical points for the nanocrystalline film. Absorption coefficient spectra for both types of samples are also determined from ɛ. Critical point features in the nanocrystalline films are broader, have lower amplitude and lower energy critical points detected having a small blue shift when compared to the single crystal sample.

  7. Decrease of bulk pinning strength in deoxygenated YBCO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Moreno, A.J.; Bekeris, V. [Buenos Aires Univ. (Argentina). Lab. de Bajas Temperaturas

    2000-07-01

    We measured the first and third harmonics of the complex AC susceptibility in YBCO single crystals with different oxygen contents (6.5 {<=} x {<=} 7). The amplitude of the AC field was varied in presence of an external dc field both applied parallel to the c-axis of the crystals. We give evidence that deoxygenation leads to a reduction of the bulk pinning strength and consequently to a stronger contribution of geometrical barriers. These results support the recently reported investigations showing that deoxygenation makes the YBCO crystals more anisotropic reducing the effective bulk pinning for quasi two-dimensional vortices. We also show measurements for the same crystals with the AC field applied perpendicular to the c-axis. (orig.)

  8. Mg-ion indiffusion of lithium niobate single crystal fiber

    Institute of Scientific and Technical Information of China (English)

    阙文修; 姚熹; 霍玉晶

    1995-01-01

    A core-cladding waveguide structure of lithium niobate single crystal fiber with different refractive index profiles has been obtained by using an Mg-ion indiffusion process. The propagation loss of the dadded crystal fiber is measured to be 14 times as low as that of the undadded crystal fibers. Mechanisms of Mg-ion indiffusion and reasons of lattice distortion are analyzed and discussed. It is found by X-ray diffraction analysis as well as scanning electron microscopy that MgO-rich layer in the magnesium diffused surface exhibits the crystal structure of a new compound from the Li-Mg-Nb-O ternary system. It is proposed, for the first time, that this new compound in MgO-rich layer is the real source of Mg-ion indiffusion lithium niobate.

  9. Growth and characterisation of gadolinium samarium oxalate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Korah, I. [Dept. of Physics, St. George College, Aruvithura - 686122, Kerala (India); Joseph, C. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam - 686562 (India); Ittyachan, M.A. [Dept. of Physics, Cochin University of Science and Technology, Cochin (India)

    2007-10-15

    Single crystals of Gadolinium Samarium Oxalate (GSO) are grown by gel method. The crystals are pale yellowish in colour. Morphology and size of the crystals are found to depend on pH of the medium, gel density, concentration of the reactants and acidity of the feed solution. The crystallinity of the grown sample was confirmed by X-ray diffraction studies and the lattice parameters were determined. X-ray diffractogram shows well defined peaks. IR spectrum confirms the presence of water molecules and carboxylic group. EDAX analysis confirms the presence of Gd and Sm in the sample. The thermal decomposition behaviour of the crystal was analysed using TGA and DTA studies. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Simulation of Transport Phenomena in Aluminum Nitride Single-Crystal Growth

    Energy Technology Data Exchange (ETDEWEB)

    de Almeida, V F

    2002-04-03

    The goal of this project is to apply advanced computer-aided modeling techniques for simulating coupled radiation transfer present in the bulk growth of aluminum nitride (AlN) single-crystals. Producing and marketing high-quality single-crystals of AlN is currently the focus of Crystal IS, Inc., which is engaged in building a new generation of substrates for electronic and optical-electronic devices. Modeling and simulation of this company's proprietary innovative processing of AlN can substantially improve the understanding of physical phenomena, assist design, and reduce the cost and time of research activities. This collaborative work supported the goals of Crystal IS, Inc. in process scale-up and fundamental analysis with promising computational tools.

  11. Compression Deformation Mechanisms at the Nanoscale in Magnesium Single Crystal

    Institute of Scientific and Technical Information of China (English)

    Yafang GUO; Xiaozhi TANG; Yuesheng WANG; Zhengdao WANG; Sidney YIP

    2013-01-01

    The dominant deformation mode at low temperatures for magnesium and its alloys is generally regarded to be twinning because of the hcp crystal structure.More recently,the phenomenon of a "loss" of the twins has been reported in microcompression experiments of the magnesium single crystals.Molecular dynamics simulation of compression deformation shows that the pyramidal slip dominates compression behavior at the nanoscale.No compression twins are observed at different temperatures at different loadings and boundary conditions.This is explained by the analyses,that is,the {10(1-)2} and {101-1} twins can be activated under c-axis tension,while compression twins will not occur when the c/a ratio of the hcp metal is below (/)3.Our theoretical and simulation results are consistent with recent microcompression experiments of the magnesium (0001) single crystals.

  12. Thermal properties of single-walled carbon nanotube crystal

    Institute of Scientific and Technical Information of China (English)

    Hu Li-Jun; Liu Ji; Liu Zheng; Qiu Cai-Yu; Zhou Hai-Qing; Sun Lian-Feng

    2011-01-01

    In this work,the thermal properties of a single-walled carbon nanotube (SWCNT) crystal are studied. The thermal conductivity of the SWCNT crystal is found to have a linear dependence on temperature in the temperature range from 1.9 K to 100.0 K. In addition,a peak (658 W/mK) is found at a temperature of about 100.0 K. The thermal conductivity decreases gradually to a value of 480 W/mK and keeps almost a constant in the temperature range from 100.0 K to 300.0 K. Meanwhile,the specific heat shows an obvious linear relationship with temperature in the temperature range from 1.9 K to 300.0 K. We discuss the possible mechanisms for these unique thermal properties of the single-walled carbon nanotube crystal.

  13. Atomistic simulation of shocks in single crystal and polycrystalline Ta

    Science.gov (United States)

    Bringa, E. M.; Higginbotham, A.; Park, N.; Tang, Y.; Suggit, M.; Mogni, G.; Ruestes, C. J.; Hawreliak, J.; Erhart, P.; Meyers, M. A.; Wark, J. S.

    2011-06-01

    Non-equilibrium molecular dynamics (MD) simulations of shocks in Ta single crystals and polycrystals were carried out using up to 360 million atoms. Several EAM and FS type potentials were tested up to 150 GPa, with varying success reproducing the Hugoniot and the behavior of elastic constants under pressure. Phonon modes were studied to exclude possible plasticity nucleation by soft-phonon modes, as observed in MD simulations of Cu crystals. The effect of loading rise time in the resulting microstructure was studied for ramps up to 0.2 ns long. Dislocation activity was not observed in single crystals, unless there were defects acting as dislocation sources above a certain pressure. E.M.B. was funded by CONICET, Agencia Nacional de Ciencia y Tecnología (PICT2008-1325), and a Royal Society International Joint Project award.

  14. Singly-resonant optical parametric oscillator based on KTA crystal

    Indian Academy of Sciences (India)

    S Das; S Gangopadhyay; C Ghosh; G C Bhar

    2005-01-01

    Tunable mid-infra-red radiation by singly resonant optical parametric oscillation based on KTA crystal pumped by multi-axial Gaussian shape beam from Q-switched Nd:YAG laser has been demonstrated. Threshold energy of oscillation at different idler wavelengths for different cavity length has been demonstrated. Single pass conversion efficiency of incident pump energy to infra-red wavelength has also been measured.

  15. Single particle detection in CMOS compatible photonic crystal nanobeam cavities.

    Science.gov (United States)

    Quan, Qimin; Floyd, Daniel L; Burgess, Ian B; Deotare, Parag B; Frank, Ian W; Tang, Sindy K Y; Ilic, Rob; Loncar, Marko

    2013-12-30

    We report the label-free detection of single particles using photonic crystal nanobeam cavities fabricated in silicon-on-insulator platform, and embedded inside microfluidic channels fabricated in poly-dimethylsiloxane (PDMS). Our system operates in the telecommunication wavelength band, thus leveraging the widely available, robust and tunable telecom laser sources. Using this approach, we demonstrated the detection of polystyrene nanoparticles with dimensions down to 12.5nm in radius. Furthermore, binding events of a single streptavidin molecule have been observed.

  16. 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

  17. Bonding Energy and Growth Habit of Lithium Niobate Single Crystals

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    On the basis of crystallographic structure of lithium niobate (LN), the bonding energy was quantitatively calculated by the bond valence sum model, which was employed to investigate the crystal growth. A possible relationship between the crystal growth habit and chemical bonding energy of LN crystals are found. It is found that the higher the bond energy, the slower the growth rate, and the more important the plane. The analytical results indicate that (012) plane is the most influential face for the LN crystal growth, which consists well with the standard card (JCPDS Card: 20-0631) and our previous experimental observation. The current work shows that the chemical bond analysis of LN crystals allows us to predict its growth habit and thus to obtain the expected morphology during the spontaneous growth.

  18. Angular correlation of annihilation photons in ice single crystals

    DEFF Research Database (Denmark)

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

    1971-01-01

    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 reciproca...

  19. Coupling of single quantum dots to a photonic crystal waveguide

    DEFF Research Database (Denmark)

    Lund-Hansen, Toke; Stobbe, Søren; Julsgaard, Brian

    . An alternative approach is to couple the quantum dot directly to the propagating mode of a photonic waveguide. We demonstrate the coupling of single quantum dots to a photonic crystal waveguide using time-resolved spontaneous emission measurements. A pronounced effect is seen in the decay rates of dots coupled...

  20. Transverse Mode Multi-Resonant Single Crystal Transducer

    Science.gov (United States)

    Snook, Kevin A. (Inventor); Liang, Yu (Inventor); Luo, Jun (Inventor); Hackenberger, Wesley S. (Inventor); Sahul, Raffi (Inventor)

    2015-01-01

    A transducer is disclosed that includes a multiply resonant composite, the composite having a resonator bar of a piezoelectric single crystal configured in a d(sub 32) transverse length-extensional resonance mode having a crystallographic orientation set such that the thickness axis is in the (110) family and resonance direction is the (001) family.

  1. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

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

  2. Field-effect transistors on tetracene single crystals

    NARCIS (Netherlands)

    De Boer, R.W.I.; Klapwijk, T.M.; Morpurgo, A.F

    2003-01-01

    We report on the fabrication and electrical characterization of field-effect transistors at the surface of tetracene single crystals. We find that the mobility of these transistors reaches the room-temperature value of 0.4 cm2/V s. The nonmonotonous temperature dependence of the mobility, its weak g

  3. Single-crystal semiconductor films grown on foreign substrates

    Science.gov (United States)

    Vohl, P.

    1966-01-01

    Intermediate alloy formed between foreign substrates and semiconductor material enable the growth of single crystal semiconductor films on the alloy layer. The melted film must not ball up on the surface of the substrate and neither chemically react nor alloy with the intermediate alloy formed on the substrate.

  4. Low field investigations of single crystal Bi(2212): DC magnetization

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, G.; Murphy, S.D.; Bhagat, S.M. (Center for Superconductivity Research and Dept. of Physics and Astronomy, Univ. of Maryland, College Park (USA))

    1989-12-01

    DC Magnetization measurements on micaceous Bi(2212) single crystals suggest that; 1. for T< or approx.25 K the material is a bulk Superconductor (SC), 2. as T is increased, the interlayer coupling weakens, until for T> or approx.55 K the lamina become independent. (orig.).

  5. Coupling of single quantum dots to a photonic crystal waveguide

    DEFF Research Database (Denmark)

    Lund-Hansen, Toke; Stobbe, Søren; Julsgaard, Brian;

    . An alternative approach is to couple the quantum dot directly to the propagating mode of a photonic waveguide. We demonstrate the coupling of single quantum dots to a photonic crystal waveguide using time-resolved spontaneous emission measurements. A pronounced effect is seen in the decay rates of dots coupled...

  6. TOPICAL REVIEW: 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 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.

  7. Photonic Crystals Physics and Practical Modeling

    CERN Document Server

    Sukhoivanov, Igor A

    2009-01-01

    The great interest in photonic crystals and their applications in the past decade requires a thorough training of students and professionals who can practically apply the knowledge of physics of photonic crystals together with skills of independent calculation of basic characteristics of photonic crystals and modelling of various photonic crystal elements for application in all-optical communication systems. This book combines basic backgrounds in fiber and integrated optics with detailed analysis of mathematical models for 1D, 2D and 3D photonic crystals and microstructured fibers, as well as with descriptions of real algorithms and codes for practical realization of the models.

  8. Shaped crystal growth of langasite-type piezoelectric single crystals and their physical properties.

    Science.gov (United States)

    Yokota, Yuui; Yoshikawa, Akira; Futami, Yoshisuke; Sato, Masato; Tota, Kazushige; Onodera, Ko; Yanagida, Takayuki

    2012-09-01

    We have grown shape-controlled langasite-type crystals by the micro-pulling-down (μ-PD) method. Columnar shaped La(3)Ta(0.5)Ga(5.5)O(14) (LTG), Ca(3)NbGa(3)Si(2)O(14) (CNGS), Ca(3)TaGa(3)Si(2)O(14) (CTGS), Sr(3)NbGa(3)Si(2)O(14) (SNGS), and Sr(3)Ta- Ga(3)Si(2)O(14) (STGS) crystals were grown using a Pt-Rh crucible with a 3-mm-diameter columnar die at the bottom. All grown crystals showed high transparency except for the peripheral area and diameter of approximately 3 mm. The chemical phases at the central parts of the grown crystals were identified as a single phase of langasite-type structure and their lattice parameters were almost the same as those of crystals grown by the Czochralski (Cz) method; however, some impurity phases were observed in the peripheral area. In X-ray rocking curve measurements, the grown crystals indicated equivalent crystallinity to the crystal grown by the Cz method. The piezoelectric constant d(11) of the CNGS crystal was 3.98 pC/N; this value is well correlated with those of previous reports.

  9. Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals.

    Science.gov (United States)

    Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun

    2017-03-08

    The spontaneous α-to-δ phase transition of the formamidinium-based (FA) lead halide perovskite hinders its large scale application in solar cells. Though this phase transition can be inhibited by alloying with methylammonium-based (MA) perovskite, the underlying mechanism is largely unexplored. In this Communication, we grow high-quality mixed cations and halides perovskite single crystals (FAPbI3)1-x(MAPbBr3)x to understand the principles for maintaining pure perovskite phase, which is essential to device optimization. We demonstrate that the best composition for a perfect α-phase perovskite without segregation is x = 0.1-0.15, and such a mixed perovskite exhibits carrier lifetime as long as 11.0 μs, which is over 20 times of that of FAPbI3 single crystal. Powder XRD, single crystal XRD and FT-IR results reveal that the incorporation of MA(+) is critical for tuning the effective Goldschmidt tolerance factor toward the ideal value of 1 and lowering the Gibbs free energy via unit cell contraction and cation disorder. Moreover, we find that Br incorporation can effectively control the perovskite crystallization kinetics and reduce defect density to acquire high-quality single crystals with significant inhibition of δ-phase. These findings benefit the understanding of α-phase stabilization behavior, and have led to fabrication of perovskite solar cells with highest efficiency of 19.9% via solvent management.

  10. Mechanism of the emergence of the photo-EMF upon silicon liquid crystal-single crystal contact

    Science.gov (United States)

    Budagov, K. M.; Guseinov, A. G.; Pashaev, B. G.

    2017-03-01

    The effect light has on a silicon liquid crystal-single crystal contact at different temperatures of the surface doping of silicon, and when BaTiO3 nanoparticles are added to the composition of a liquid crystal, is studied. The mechanism of the emergence of the photo-EMF in the liquid crystal-silicon structure is explained.

  11. 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.

  12. Unusual magnetotransport properties in a FeAs single crystal

    Science.gov (United States)

    Khim, Seunghyun; Gillig, Matthias; Klingeler, Rüdiger; Wurmehl, Sabine; Büchner, Bernd; Hess, Christian

    2016-05-01

    We have investigated the magnetoresistance (MR) and Hall resistivity properties of a FeAs single crystal which exhibits magnetic order below TN = 69 K. We observe nonlinear Hall resistivity and linear MR in the presence of magnetic-order-connected Fermi surface reconstruction. The analysis of the magnetotransport data using a two-carrier model suggests the emergence of an additional minor hole Fermi surface which coexists with major electron carriers below TN. The origin of the linear MR, however, remains inconsistent with current explanations based on the electronic band structure, i.e., the quantum linear MR model from linearly dispersive Dirac cones and linear MR as a result from strong velocity changes of the cyclotron motion near nested Fermi surfaces. While a macroscopic inhomogeneity in a mobility distribution may cause the linear MR as widely observed in other semimetals with high mobilities, the spiral magnetic order of FeAs seems to ask for an alternative description which takes the specific magnetic order and details of the electronic structure of FeAs as well as a possible entanglement between them into account.

  13. 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.

  14. Low-dissipation cavity optomechanics in single-crystal diamond

    CERN Document Server

    Mitchell, Matthew; Lake, David P; Barclay, Paul E

    2015-01-01

    Single-crystal diamond cavity optomechanical devices are a promising example of a hybrid quantum system: by coupling mechanical resonances to both light and electron spins, they can enable new ways for photons to control solid state qubits. However, creating devices from high quality bulk diamond chips is challenging. Here we demonstrate single-crystal diamond cavity optomechanical devices that can enable photon-phonon-spin coupling. Cavity optomechanical coupling to $2\\,\\text{GHz}$ frequency ($f_\\text{m}$) mechanical resonances is observed. In room temperature ambient conditions, the resonances have a record combination of low dissipation ($Q_\\text{m} > 9000$) and high frequency, with $Q_\\text{m}\\cdot f_\\text{m} \\sim 1.9\\times10^{13}$ sufficient for room temperature single phonon coherence. The system is nearly sideband resolved, and radiation pressure is used to excite $\\sim 31\\,\\text{pm}$ amplitude mechanical self-oscillations that can drive diamond color centre electron spin transitions.

  15. Spatially resolved micro-photoluminescence imaging of porphyrin single crystals

    Science.gov (United States)

    Marin, Dawn M.; Castaneda, Jose; Kaushal, Meesha; Kaouk, Ghallia; Jones, Daniel S.; Walter, Michael G.

    2016-08-01

    We describe the collection of both time-resolved and steady-state micro-photoluminescence data from solution-grown single crystals of 5,15-bis(4-carbomethoxyphenyl)porphyrin (BCM2PP). Linking molecular orientation and structure with excited-state dynamics is crucial for engineering efficient organic solar cells, light-emitting diodes, and related molecular electronics. Photoluminescence features of single porphyrin crystals were imaged using a laser scanning confocal microscope equipped with time-correlated single photon counting (TCSPC). We show enhanced exciton lifetimes (τs1 = 2.6 ns) and stronger steady-state emission in crystalline BCM2PP samples relative to semicrystalline thin films (τs1 = 1.8 ns).

  16. Role of crystal orientation on chemical mechanical polishing of single crystal copper

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Aibin, E-mail: abzhu@mail.xjtu.edu.cn; He, Dayong; Luo, Wencheng; Liu, Yangyang

    2016-11-15

    Highlights: • The role of crystal orientation in cooper CMP by quasi-continuum was studied. • The atom displacement diagrams were obtained and analyzed. • The stress distribution diagrams and load-displacement curves were analyzed. • This research is helpful to revealing the material removal mechanism of CMP. - Abstract: The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[–211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[–211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

  17. Transport Properties of Bi2S3 Single Crystals

    Institute of Scientific and Technical Information of China (English)

    H.T.Shaban; M.M.Nassary; M.S.El-Sadek

    2008-01-01

    Bi2S3 single crystals were grown by using a modification of Bridgman method. Measurements of the electrical conductivity, Hall effect and thermoelectric power (TEP) were preformed in two crystallographic directions(parallel and perpendicular to the c-axis). The measurements showed that the electrical conductivity, Hall mobility, and Seebeck coefficient have anisotropic nature. From these measurements some physical parameters were estimated and the crystals showed n-type of conduction mechanism. Also, values of the energy gap were found to be different in the two directions.

  18. Impurity centers in LiF:Cu{sup +} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Nepomnyashchikh, A I; Shalaev, A A; Subanakov, A K; Paklin, A S; Bobina, N S; Myasnikova, A S; Shendrik, R, E-mail: alshal@igc.irk.ru

    2010-11-15

    The single crystals LiF with copper impurity were grown by Czochralski method. The concentrations of Cu in the crystals were 0,0004-0,002%. In order to determine a copper valence impurity, measurements of the ESR, emission, excitation and absorption spectra were performed. We found emission peak at 410 nm and excitation peak at 250 nm. In agreement with reference, these peaks point to presence of Cu{sup +} in our samples. The mechanisms of capture and recombination providing process of thermoluminescence were recognized.

  19. Organic single-crystal field-effect transistors

    Directory of Open Access Journals (Sweden)

    Colin Reese

    2007-03-01

    Full Text Available Organic molecular crystals hold great promise for the rational development of organic semiconductor materials. Their long-range order not only reveals the performance limits of organic materials, but also provides unique insight into their intrinsic transport properties. The field-effect transistor (FET has served as a versatile tool for electrical characterization of many facets of their performance. In the last few years, breakthroughs in single-crystal FET fabrication techniques have enabled the realization of field-effect mobilities far surpassing amorphous Si, observation of the Hall effect in an organic material, and the study of transport as an explicit function of molecular packing and chemical structure.

  20. Crystal growth, electrical and photophysical properties of Tl2S layered single crystals

    Indian Academy of Sciences (India)

    A M Badr; H A Elshaikh; I M Ashraf

    2009-05-01

    The Tl2S compound was prepared in a single crystal form using a special local technique, and the obtained crystals were analysed by X-ray diffraction. For the resultant crystals, the electrical properties (electrical conductivity and Hall effect) and steady-state photoconductivity were elucidated in this work. The electrical measurements extend from 170 to 430 K, where it was found that ⊥ = 8.82 × 10−5 Sm-1 when current flow direction makes right angle to the cleavage plane of the crystals. In the same range of temperatures, it was found that ∥ = 4.73 × 10−5 Sm-1 when the current flow is parallel to the cleavage plane. In line with the investigated range of temperatures, the widths of the band gaps were calculated and discussed as also the results of the electrical conductivity and Hall effect measurements. In addition, the anisotropy of the electrical conductivity (⊥/∥) for the obtained crystals was also studied in this work. Finally the photosensitivity was calculated for different levels of illumination as a result of the photoconductivity measurements, which showed that the recombination process in Tl2S single crystals is a monomolecular process.

  1. The crystallization and optical properties of LiNbO3 single crystals

    Directory of Open Access Journals (Sweden)

    SLOBODANKA NIKOLIC

    2000-06-01

    Full Text Available LiNbO3 single crystals were grown by the Czochralski technique in an air atmosphere. The critical crystal diameter Dc = 1.5 cm and the critical rate of rotation wc = 35 rpm were calculated from the dynamic of fluids equations for buoyancy-driven and forced convections under which the shape of the melt/crystal interface changed. The domain inversion was carried out at 1473 K using a 10 min 3.75 V/cm electric field. The obtained crystals were cut, polished and etched to determine the presence of dislocations and single domain structures. The lattice parameters a = 0.51494 nm, c = 1.38620 nm and V = 0.3186 nm3 were determined by X-ray powder diffraction. The optical properties were studied by infrared spectroscopy in the wave number range 20 - 5000 cm-1. With decreasing temperature, an atypical behaviour of the phonon modes, due to the ferroelectric properties of LiNbO3 single crystal, could be seen. The optical constants were calculated by Kramers-Kronig analysis and the value of the critical temperature was estimated. The obtained results are discussed and compared with published data.

  2. 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...... to one another. Finite element simulations are performed using a strain gradient crystal plasticity formulation with an intrinsic length scale parameter in a non-local strain gradient constitutive framework. For a vanishing length scale parameter the non-local formulation reduces to a local crystal...... to three times higher for smaller void sizes than for larger void sizes in the non-local material....

  3. Crystallization of inorganic nonlinear optical zinc di-magnesium chloro sulphate (ZDMCS) single crystal

    Science.gov (United States)

    Arivuselvi, R.; Ruban Kumar, A.

    2017-02-01

    The growth of inorganic zinc di-magnesium chloro sulphate (ZDMCS) nonlinear optical material from low temperature evaporation technique at ambient temperature has been reported. The dimension of harvested crystal is 28×10×2 mm3 and is possess rectangular shape morphology. The single crystal X-ray diffraction studies confirmed that the grown crystal belongs to the system of trigonal. The S-Cl stretching vibrations and Mg2+ ions present in the sample were observed by FTIR spectrometer. The cut-off wavelength of the grown crystal is about 203 nm is found by UV-visible absorption spectrum. The nonlinear optical efficiency was determined by powder Kurtz Perry technique. EDAX spectrum confirms the presence of elements within the material. Dielectric nature of the sample was analyzed for the frequency range 50 Hz to 5 MHz at different temperatures. The mechanical behaviour of the title compound was investigated using Vicker's microhardness tester.

  4. Semiconducting polymer single crystals and devices (Conference Presentation)

    Science.gov (United States)

    Dong, Huanli

    2016-11-01

    Highly ordered organic semiconductors in solid state with optimal molecular packing are critical to their electrical performance. Single crystals with long-range molecular orders and nearly perfect molecular packing are the best candidates, which already have been verified to exhibit the highest performance whether based on inorganic or small organic materials. However, in comparison, preparing high quality polymer crystals remains a big challenge in polymer science because of the easy entanglements of the long and flexible polymer chains during self-assembly process, which also significantly limits the development of their crystalline polymeric electronic devices. Here we have carried out systematical investigations to prepare high quality semiconducting polymers and high performance semiconducting polymer crystal optoelectronic devices have been successfully fabricated. The semiconducting polymeric devices demonstrate significantly enhanced charge carreir transport compared to their thin films, and the highest carreir mobiltiy could be approcahing 30 cm2 V-1s-1, one of the highest mobiltiy values for polymer semiconductors.

  5. Neutron transmission and reflection at a copper single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Adib, M.; Maayouf, R.M.A.; Abdel-Kawy, A.; Fayek, M.; Habib, N. (Atomic Energy Establishment, Cairo (Egypt). Reactor and Neutron Physics Dept.); Wahba, M. (Ain Shams Univ., Cairo (Egypt). Dept. of Engineering Physics and Mathematics)

    1991-06-01

    Neutron transmission and reflection at a copper single crystal cut along the (111) plane were studied with the fixed-scattering-angle spectrometer installed at the ET-RR-1 reactor. The transmission was measured for neutron wavelengths between 0.15 and 0.46 nm and various orientations of the (111) plane with respect to the incident beam. When used as a neutron band pass filter, the crystal is optimally oriented when the neutron beam is incident parallel to the (111) direction. The reflectivity was measured for the (111) plane at 45deg with respect to the incident beam. The results were found to be in reasonable agreement with a value predicted for the reflected intensity at an imperfect crystal with finite absorption. (orig.).

  6. Resonant magnetic properties of gadolinium-gallium garnet single crystals

    Science.gov (United States)

    Bedyukh, A. R.; Danilov, V. V.; Nechiporuk, A. Yu.; Romanyuk, V. F.

    1999-03-01

    The results of experimental investigations of resonant magnetic properties of gadolinium-gallium garnet (GGG) single crystals at temperatures 4.2-300 K in the frequency range 1.6-9.3 GHz are considered. It is found that magnetic losses in GGG are determined by the initial splitting of energy levels for gadolinium ions in the garnet crystal lattice and by the dipole broadening. The width and shape of the electron paramagnetic resonance (EPR) line in the GGG crystal, whose asymmetry is manifested most strongly at low frequencies, can be explained by the influence of these factors. Magnetic losses in GGG increase with frequency and upon cooling. It is found that the EPR linewidth increases considerably with decreasing temperature due to the presence of rapidly relaxing impurities.

  7. 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.

  8. Triangular nanobeam photonic cavities in single crystal diamond

    CERN Document Server

    Bayn, Igal; Salzman, Joseph; Kalish, Rafi

    2011-01-01

    Diamond photonics provides an attractive architecture to explore room temperature cavity quantum electrodynamics and to realize scalable multi-qubit computing. Here we review the present state of diamond photonic technology. The design, fabrication and characterization of a novel triangular cross section nanobeam cavity produced in a single crystal diamond is demonstrated. The present cavity design, based on a triangular cross section allows vertical confinement and better signal collection efficiency than that of slab-based nanocavities, and eliminates the need for a pre-existing membrane. The nanobeam is fabricated by Focused-Ion-Beam (FIB) patterning. The cavity is characterized by a confocal photoluminescence. The modes display quality factors of Q ~220 and are deviated in wavelength by only ~1.7nm from the NV- color center zero phonon line (ZPL). The measured results are found in good agreement with 3D Finite-Difference-Time-Domain (FDTD) calculations. A more advanced cavity design with Q=22,000 is model...

  9. Study of growth of single crystal ribbon in space

    Science.gov (United States)

    Wood, V. E.; Markworth, A. J.

    1975-01-01

    The technical feasibility is studied of growing single-crystal silicon ribbon in the space environment. Procedures are described for calculating the electromagnetic fields produced in a silicon ribbon by an rf shaping coil. The forces on the ribbon and the degree of shaping to be expected are determined. The expected steady-state temperature distribution in the ribbon is calculated in the one-dimensional approximation. Calculations on simplified models indicate, that lack of flatness of the shaped ribbon and excessive heating of the melt by the eddy currents induced by the shaping fields may pose problems. An analysis of the relative effects of various kinds of forces other than electromagnetic showed that in the space environment capillarity forces would dominate, and that the shape of the melt is thus principally determined by the shape of any solids with which it comes in contact. This suggests that ribbon may be produced simply by drawing between parallel wires. A concept is developed for a process of off-angle growth, in which the ribbon is pulled at an angle to the solidification front. Such a process promises to offer increased growth rate, better homogeneity, and thinner ribbon.

  10. Size effects in single crystal thin films : nonlocal crystal plasticity simulations

    NARCIS (Netherlands)

    Yefimov, S; van der Giessen, E

    2005-01-01

    Stress relaxation in single crystalline thin films on substrates subjected to thermal loading is studied using a recently proposed nonlocal continuum crystal plasticity theory. The theory is founded on a statistical-mechanics description of the collective behaviour of dislocations in multiple slip,

  11. Nanoimplantation and Purcell enhancement of single nitrogen-vacancy centers in photonic crystal cavities in diamond

    Energy Technology Data Exchange (ETDEWEB)

    Riedrich-Möller, Janine; Becher, Christoph, E-mail: christoph.becher@physik.uni-saarland.de [Universität des Saarlandes, Fachrichtung 7.2 (Experimentalphysik), Campus E 2.6, 66123 Saarbrücken (Germany); Pezzagna, Sébastien; Meijer, Jan [Universität Leipzig, Institut für Experimentalphysik II, Linnéstraße 5, 04103 Leipzig (Germany); Pauly, Christoph; Mücklich, Frank [Universität des Saarlandes, Fachrichtung 8.4 (Materialwissenschaft und Werkstofftechnik), Campus D 3.3, 66123 Saarbrücken (Germany); Markham, Matthew; Edmonds, Andrew M. [Element Six Ltd., Global Innovation Centre, Fermi Avenue, Harwell Oxford, Didcot OX11 0QR (United Kingdom)

    2015-06-01

    We present the controlled creation of single nitrogen-vacancy (NV) centers via ion implantation at the center of a photonic crystal cavity which is fabricated in an ultrapure, single crystal diamond membrane. High-resolution placement of NV centers is achieved using collimation of a 5 keV-nitrogen ion beam through a pierced tip of an atomic force microscope. We demonstrate coupling of the implanted NV centers' broad band fluorescence to a cavity mode and observe Purcell enhancement of the spontaneous emission. The results are in good agreement with a master equation model for the cavity coupling.

  12. Nanoimplantation and Purcell enhancement of single NV centers in photonic crystal cavities in diamond

    CERN Document Server

    Riedrich-Möller, Janine; Meijer, Jan; Pauly, Christoph; Mücklich, Frank; Markham, Matthew; Edmonds, Andrew M; Becher, Christoph

    2015-01-01

    We present the controlled creation of single nitrogen-vacancy (NV) centers via ion implantation at the center of a photonic crystal cavity which is fabricated in an ultrapure, single crystal diamond membrane. High-resolution placement of NV centers is achieved using collimation of a 5keV-nitrogen ion beam through a pierced tip of an atomic force microscope (AFM). We demonstrate coupling of the implanted NV centers' broad band fluorescence to a cavity mode and observe Purcell enhancement of the spontaneous emission. The results are in good agreement with a master equation model for the cavity coupling.

  13. A new material for single crystal modulators: BBO

    Science.gov (United States)

    Bammer, F.; Schumi, T.; Petkovsek, R.

    2011-06-01

    Single crystal photo-elastic modulators (SCPEM) are based on a single piezo-electric crystal which is electrically excited on a resonance frequency such that the resulting resonant oscillation causes a modulated artificial birefringence due to the photo-elastic effect. Polarized light experience in such a crystal a strong modulation of polarization, which, in connection with a polarizer, can be used for Q-switching of lasers with pulse repetition frequencies in the range of 100- 1000 kHz. A particularly advantageous configuration is possible with crystals from the symmetry class 3m. Besides LiTaO3 and LiNbO3, both already well explored as SCPEM-materials, we introduce now BBO, which offers a very low absorption in the near infrared region and is therefore particularly suited for Q-switching of solid state lasers. We demonstrate first results of such a BBO-modulator with the dimensions 8.6 x 4.05 x 4.5mm in x-, y-, z- direction, which offers a useful resonance and polarization modulation at 131.9 kHz. Since the piezo-electric effect is small, the voltage amplitude for achieving Q-switching for an Nd:YAG-laser is expected to be in the range of 100V. Nevertheless it is a simple and robust device to achieve Q-switching with a high fixed repetition rate for high power solid state lasers.

  14. Converting ceria polyhedral nanoparticles into single-crystal nanospheres.

    Science.gov (United States)

    Feng, Xiangdong; Sayle, Dean C; Wang, Zhong Lin; Paras, M Sharon; Santora, Brian; Sutorik, Anthony C; Sayle, Thi X T; Yang, Yi; Ding, Yong; Wang, Xudong; Her, Yie-Shein

    2006-06-09

    Ceria nanoparticles are one of the key abrasive materials for chemical-mechanical planarization of advanced integrated circuits. However, ceria nanoparticles synthesized by existing techniques are irregularly faceted, and they scratch the silicon wafers and increase defect concentrations. We developed an approach for large-scale synthesis of single-crystal ceria nanospheres that can reduce the polishing defects by 80% and increase the silica removal rate by 50%, facilitating precise and reliable mass-manufacturing of chips for nanoelectronics. We doped the ceria system with titanium, using flame temperatures that facilitate crystallization of the ceria yet retain the titania in a molten state. In conjunction with molecular dynamics simulation, we show that under these conditions, the inner ceria core evolves in a single-crystal spherical shape without faceting, because throughout the crystallization it is completely encapsulated by a molten 1- to 2-nanometer shell of titania that, in liquid state, minimizes the surface energy. The principle demonstrated here could be applied to other oxide systems.

  15. 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.

  16. Dispersion of optical activity of magnesium sulfite hexahydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dimov, T; Bunzarov, Zh; Iliev, I; Petkova, P; Tzoukrovski, Y, E-mail: dimov@shu-bg.ne

    2010-11-01

    The magnesium sulfite hexahydrate (MgSO{sub 3}.6H{sub 2}O) crystals are unique because they are the only representative (with sodium periodate) of the crystallographic class C{sub 3} (without a center of symmetry). The crystal symmetry suggests presence of nonlinearity, piezo- and pyro-electric properties and gyrotropy as well. Single crystals of MgSO{sub 3}.6H{sub 2}O (pure and doped with Ni, Co and Zn) for the time being are grown only by the original method developed in the Laboratory for Crystal growth at the Faculty of Physics in Sofia University. The first results of optical activity of pure MgSO{sub 3}.6H{sub 2}O and Zn doped MgSO{sub 3}.6H{sub 2}O crystals are described and analyzed in a wide spectral range. The optical activity manifests itself in the direction (0001) as a rotation of the polarization plane.

  17. Crystal structure and magnetization of a Co{sub 3}B{sub 2}O{sub 6} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kazak, N. V.; Platunov, M. S., E-mail: platunov@iph.krasn.ru [Russian Academy of Sciences, Kirensky Institute of Physics, Siberian Branch (Russian Federation); Ivanova, N. B. [Siberian Federal University (Russian Federation); Knyazev, Yu. V.; Bezmaternykh, L. N.; Eremin, E. V.; Vasil' ev, A. D.; Bayukov, O. A.; Ovchinnikov, S. G.; Velikanov, D. A. [Russian Academy of Sciences, Kirensky Institute of Physics, Siberian Branch (Russian Federation); Zubavichus, Ya. V. [Russian Research Centre Kurchatov Institute (Russian Federation)

    2013-07-15

    The crystal structure and magnetic properties of Co{sub 3}B{sub 2}O{sub 6} single crystals are studied. Orthorhombic symmetry with space group Pnnm is detected at room temperature. The measurements of static magnetization and dynamic magnetic susceptibility reveal two magnetic anomalies at T{sub 1} = 33 K and T{sub 2} = 10 K and an easy-axis magnetic anisotropy. The effective magnetic moment indicates a high-spin state of the Co{sup 2+} ion. A spin-flop transition is found at low temperatures and H{sub sf} = 23 kOe. EXAFS spectra of the K-edge absorption of Co are recorded at various temperatures, the temperature-induced changes in the parameters of the local environment of cobalt are analyzed, and the effective Co-Co and Co-O distances are determined. The magnetic interactions in the crystal are analyzed in terms of an indirect coupling model.

  18. Nanofluidics of Single-crystal Diamond Nanomechanical Resonators

    CERN Document Server

    Kara, V; Atikian, H; Yakhot, V; Loncar, M; Ekinci, K L

    2015-01-01

    Single-crystal diamond nanomechanical resonators are being developed for countless applications. A number of these applications require that the resonator be operated in a fluid, i.e., a gas or a liquid. Here, we investigate the fluid dynamics of single-crystal diamond nanomechanical resonators in the form of nanocantilevers. First, we measure the pressure-dependent dissipation of diamond nanocantilevers with different linear dimensions and frequencies in three gases, He, N$_2$, and Ar. We observe that a subtle interplay between the length scale and the frequency governs the scaling of the fluidic dissipation. Second, we obtain a comparison of the surface accommodation of different gases on the diamond surface by analyzing the dissipation in the molecular flow regime. Finally, we measure the thermal fluctuations of the nanocantilevers in water, and compare the observed dissipation and frequency shifts with theoretical predictions. These findings set the stage for developing diamond nanomechanical resonators o...

  19. Oriented hydroxyapatite single crystals produced by the electrodeposition method

    Energy Technology Data Exchange (ETDEWEB)

    Santos, E.A. dos, E-mail: euler@ufs.br [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Moldovan, M.S. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Jacomine, L. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); Mateescu, M. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Werckmann, J. [IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Anselme, K. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Mille, P.; Pelletier, H. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France)

    2010-05-25

    We propose here the use of cathodic electrodeposition as tool to fabricate implant coatings consisting in nano/micro single crystals of hydroxyapatite (HA), preferentially orientated along the c-axis. Coating characterization is the base of this work, where we discuss the mechanisms related to the deposition of oriented hydroxyapatite thin films. It is shown that when deposited on titanium alloys, the HA coating is constituted by two distinct regions with different morphologies: at a distance of few microns from the substrate, large HA single crystals are oriented along the c-axis and appear to grow up from a base material, consisting in an amorphous HA. This organized system has a great importance for cell investigation once the variables involved in the cell/surface interaction are reduced. The use of such systems could give a new insight on the effect of particular HA orientation on the osteoblast cells.

  20. 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.

  1. High pressure single crystal and powder XRD study for neighborite

    Science.gov (United States)

    Liu, H.

    2016-12-01

    After Murakami et al. (2004) identified the post-perovskite (ppv) phase transition in MgSiO3 perovskite (pv) at pressures and temperatures consistent with the onset of Earth's D" layer, lots of post-perovskite type phase transitions were founded in other similar systems. These discoveries provided a better understanding of heterogeneous structures and seismic anisotropy observed in the controversial region of the lower mantle. With previous experimental evidence showing the analogue system of neighborite NaMgF3 will transform from pv to ppv at 30 GPa, we performed high quality single crystal XRD experiment, which led to a more precise structure determination. Using helium as pressure medium, one metastable low symmetric phase before the pv-ppv structure transition was discovered, whose total energy was calculated as well. The comparison between single crystal and powder XRD data will be presented, and potential application will be discussed.

  2. Synthesis and characterization of single-crystal strontium hexaboride nanowires.

    Science.gov (United States)

    Jash, Panchatapa; Nicholls, Alan W; Ruoff, Rodney S; Trenary, Michael

    2008-11-01

    Catalyst-assisted growth of single-crystal strontium hexaboride (SrB6) nanowires was achieved by pyrolysis of diborane (B2H6) over SrO powders at 760-800 degrees C and 400 mTorr in a quartz tube furnace. Raman spectra demonstrate that the nanowires are SrB6, and transmission electron microscopy along with selected area diffraction indicate that the nanowires consist of single crystals with a preferred [001] growth direction. Electron energy loss data combined with the TEM images indicate that the nanowires consist of crystalline SrB 6 cores with a thin (1 to 2 nm) amorphous oxide shell. The nanowires have diameters of 10-50 nm and lengths of 1-10 microm.

  3. Annealing Effect on Photovoltages of Quartz Single Crystals

    Institute of Scientific and Technical Information of China (English)

    TIAN Lu; ZHAO Song-Qing; ZHAO Kun

    2010-01-01

    @@ We investigate the photovoltaic effects of quartz single crystals annealed at high temperatures in ambient atmosphere.The open-circuit photovoltages and surface morphologies strongly depend on the heating treatments.When the annealing temperature increases from room temperature to 900℃,the rms roughness of quartz single crystal wafers increases from 0.207 to 1.011 nm.In addition,the photovoltages decrease from 1.994#V at room temperature to 1.551 μ V after treated at 500℃,and then increase up to 9.8μV after annealed at 900℃.The inner mechanism of the present photovoltaic response and surface morphologies is discussed.

  4. Electrical conductivity and dielectric properties of potassium sulfamate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A.S.; Iype, L.; Rajesh, R. [School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam (India); Varughese, G. [Department of Physics, Catholicate College, Pathanamthitta, Kerala (India); Joseph, G. [Department of Physics, Sacred Heart College, Thevera, Cochin, Kerala (India); Louis, G. [Department of Physics, Cochin University of Science and Technology, Cochin (India)

    2011-10-15

    Single crystals of potassium sulfamate are grown by the method of slow evaporation at constant temperature. AC electrical conductivity of potassium sulfamate is measured in the temperature range 300-430 K and in the frequency region between 100 Hz and 3 MHz along the a, b and c-axes. Complex impedance spectroscopy is used to investigate the frequency response of the electrical properties of the potassium sulfamate single crystal. Temperature variation of AC conductivity and dielectric measurements show a slope change around 345 K for both heating and cooling run and this anomaly is attributed as phase transition, which is well supported by the DSC measurements. Value of loss tangent in the temperature region 330-400 K is found to be very low. Activation energies for the conduction process are calculated along the a, b and c-axes. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Progress in modeling of fluid flows in crystal growth processes

    Institute of Scientific and Technical Information of China (English)

    Qisheng Chen; Yanni Jiang; Junyi Yan; Ming Qin

    2008-01-01

    Modeling of fluid flows in crystal growth processes has become an important research area in theoretical and applied mechanics.Most crystal growth processes involve fluid flows,such as flows in the melt,solution or vapor.Theoretical modeling has played an important role in developing technologies used for growing semiconductor crystals for high performance electronic and optoelectronic devices.The application of devices requires large diameter crystals with a high degree of crystallographic perfection,low defect density and uniform dopant distribution.In this article,the flow models developed in modeling of the crystal growth processes such as Czochralski,ammono-thermal and physical vapor transport methods are reviewed.In the Czochralski growth modeling,the flow models for thermocapillary flow,turbulent flow and MHD flow have been developed.In the ammonothermal growth modeling,the buoyancy and porous media flow models have been developed based on a single-domain and continuum approach for the composite fluid-porous layer systems.In the physical vapor transport growth modeling,the Stefan flow model has been proposed based on the flow-kinetics theory for the vapor growth.In addition,perspectives for future studies on crystal growth modeling are proposed.

  6. 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.

  7. Time-incremental creep–fatigue damage rule for single crystal Ni-base superalloys

    NARCIS (Netherlands)

    Tinga, T.; Brekelmans, W.A.M.; Geers, M.G.D.

    2009-01-01

    In the present paper a damage model for single crystal Ni-base superalloys is proposed that integrates time-dependent and cyclic damage into a generally applicable time-incremental damage rule. A criterion based on the Orowan stress is introduced to detect slip reversal on the microscopic level and

  8. EPR of Sm{sup 3+} in BaFCl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Falin, M [Department of Physical Chemistry, University of Geneva, Geneva (Switzerland); Bill, H [Department of Physical Chemistry, University of Geneva, Geneva (Switzerland); Lovy, D [Department of Physical Chemistry, University of Geneva, Geneva (Switzerland)

    2004-03-03

    BaFCl single crystals doped with Sm{sup 3+} ions were studied by using the EPR method. Several types of paramagnetic Sm{sup 3+} centres were found. The parameters of the corresponding spin Hamiltonians were determined. Structural models and ground states of the observed centres are proposed.

  9. Cascading nonlinearities in an organic single crystal core fiber: The Cerenkov regime

    NARCIS (Netherlands)

    Torruellas, William E.; Krijnen, Gijs; Kim, Dug Y.; Schiek, Roland; Stegeman, George J.; Vidakovic, Petar; Zyss, Joseph

    1994-01-01

    The large nonlinear phase shifts imparted to the fundamental beam during Cerenkov second harmonic generation (SHG) in a DAN, 4-(N,N-dimethylamino)-3-acetamidonitrobenzene, single crystal core fiber are explained and modelled numerically. Cascading upconversion and downconversion processes leads to n

  10. A cell for the controllable thermal treatment and electrochemical characterisation of single crystal alloy electrodes

    DEFF Research Database (Denmark)

    Bondarenko, Alexander S.; Stephens, Ifan E.L.; Chorkendorff, Ib

    2012-01-01

    A new electrochemical cell is described which provides the opportunity to perform electrochemical experiments and apply a controllable thermal treatment without exposing the sample to the laboratory atmosphere. We report typical model experiments with Pt(111) single crystal electrodes which can...

  11. Single crystal neutron diffraction study of triglycine sulphate revisited

    Indian Academy of Sciences (India)

    Rajul Ranjan Choudhury; R Chitra

    2008-11-01

    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 -factor of [2] = 0.034. Earlier neutron structure of TGS was reported with a very limited data set and large standard deviations. The differences between the present and the earlier reported neutron structure of TGS are discussed.

  12. The Herbertsmithite Hamiltonian: {mu}SR measurements on single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ofer, Oren [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T2A3 (Canada); Keren, Amit [Department of Physics, Technion, Haifa 32000 (Israel); Brewer, Jess H [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T1Z1 (Canada); Han, Tianheng H; Lee, Young S, E-mail: oren@triumf.ca [Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2011-04-27

    We present transverse field muon spin rotation/relaxation measurements on single crystals of the spin-1/2 kagome antiferromagnet Herbertsmithite. We find that the spins are more easily polarized when the field is perpendicular to the kagome plane. We demonstrate that the difference in magnetization between the different directions cannot be accounted for by Dzyaloshinskii-Moriya-type interactions alone and that anisotropic axial interaction is present.

  13. 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.

  14. Microstructure evolution of single crystal copper wires in cold drawing

    Institute of Scientific and Technical Information of China (English)

    CHEN; Jian; YAN; Wen; WANG; XueYan; FAN; XinHui

    2007-01-01

    The deformation microstructure evolution of single crystal copper wires produced by OCC method has been studied with the help of TEM, EBSD and OM. The results show that there are a small number of dendrites and twins in the undeformed single crystal copper wires. However, it is difficult to observe these dendrites in deformed single crystal copper wires. The structure evolution of deformed single crystal copper wires during drawing process can be divided into three stages. When the true strain is lower than 0.94, macroscopic subdivision of grains is not evident, and the microscopic evolution of deformed structure is that the cells are formed and elongated in drawn direction. When the true strain is between 0.94 and 1.96, macroscopic subdivision of grains takes place, and the number of microbands located on {111} and cell blocks is much more than that with the true strain lower than 0.94. When the true strain is larger than 1.96, the macroscopic subdivision of grains becomes more evident than that with the true strain between 0.94 and 1.96, and S-bands structure and lamellar boundaries will be formed. From EBSD analysis, it is found that part of texture resulting from solidifying is transformed into and due to shear deformation, but texture component is still kept in majority. When the true strain is 0.94, the misorientation angle of dislocation boundaries resulting from deformation is lower than 14°. However, when the true strain arrives at 1.96, the misorientation angle of some boundaries will be greater than 50°, and the peak of misorientation angle distribution produced by texture evolution is located in the range between 25° and 30°.

  15. 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.

  16. Physical properties of CuAlO 2 single crystal

    Science.gov (United States)

    Brahimi, R.; Bellal, B.; Bessekhouad, Y.; Bouguelia, A.; Trari, M.

    2008-09-01

    CuAlO 2 single crystal elaborated by the flux method is a narrow band gap semiconductor crystallizing in the delafossite structure (SG R3¯m). Oxygen insertion in the layered lattice generates p-type conductivity where most holes are trapped in surface-polaron states. The detailed photoelectrochemical characterization and electrochemical impedance spectroscopy (EIS) have been reported for the first time on the single crystal. The study is confined in the basal plan and reversible oxygen insertion is evidenced from the intensity potential characteristics. The oxide is characterized by an excellent chemical stability; the semi-logarithmic plot gave a corrosion potential of-0.82 V SCE and an exchange current density of 0.022 μA cm -2 in KCl (0.5 M) electrolyte. The capacitance measurement ( C-2- V) shows a linear behavior from which a flat band potential of +0.42 V SCE and a doping density NA of 10 16 cm -3 have been determined. The valence band, located at 5.24 eV (0.51 V SCE) below vacuum, is made up of Cu-3d orbital. The Nyquist plot exhibits a pseudo-semicircle whose center is localized below the real axis with an angle of 20°. This can be attributed to a single relaxation time of the electrical equivalent circuit and a constant phase element (CPE). The absence of straight line indicates that the process is under kinetic control.

  17. 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).

  18. Large-lattice-parameter perovskite single-crystal substrates

    Science.gov (United States)

    Uecker, Reinhard; Bertram, Rainer; Brützam, Mario; Galazka, Zbigniew; Gesing, Thorsten M.; Guguschev, Christo; Klimm, Detlef; Klupsch, Michael; Kwasniewski, Albert; Schlom, Darrell G.

    2017-01-01

    The pseudobinary system LaLuO3-LaScO3 was explored in hopes of discovering new perovskite-type substrates with pseudocubic lattice parameters above 4 Å. A complete solid solution of the type (LaLuO3)1-x(LaScO3)x forms between the end members LaLuO3 and LaScO3, enabling large single crystals of (LaLuO3)1-x(LaScO3)x to be grown from the melt. A single crystal with x≈0.34 was demonstrated. Considering the maximum thermal load of the iridium crucibles appropriate for Czochralski growth of this solid solution, the theoretically maximum achievable x-value is 0.67. Based on the phase diagram determined, it is anticipated that single crystals with pseudocubic lattice constants between 4.09 and 4.18 Å can be grown in this system by the Czochralski method.

  19. Raman Model Predicting Hardness of Covalent Crystals

    OpenAIRE

    Zhou, Xiang-Feng; Qian, Quang-Rui; Sun, Jian; Tian, Yongjun; Wang, Hui-Tian

    2009-01-01

    Based on the fact that both hardness and vibrational Raman spectrum depend on the intrinsic property of chemical bonds, we propose a new theoretical model for predicting hardness of a covalent crystal. The quantitative relationship between hardness and vibrational Raman frequencies deduced from the typical zincblende covalent crystals is validated to be also applicable for the complex multicomponent crystals. This model enables us to nondestructively and indirectly characterize the hardness o...

  20. 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...

  1. 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.

  2. High-Field Magnetization in PrCo2Si2 Single Crystals

    Science.gov (United States)

    Shigeoka, Toru; Fujii, Hironobu; Yonenobu, Kenji; Sugiyama, Kiyohiro; Date, Muneyuki

    1989-02-01

    Magnetic properties of PrCo2Si2 single crystals have been studied by measurements of high-field magnetization, magnetic susceptibility and electrical resistivity. Anomalous behaviors in the resistivity appear at three successive magnetic phase transition temperatures of 9, 17 and 30K. The magnetic susceptibility is highly anisotropic and is analyzed using the single-ion Hamiltonian, including the crystal-field and molecular-field effects. The thermal variations of the susceptibilities can be well reproduced by the crystal-field parameters estimated from the point-charge model. Metamagnetic transitions with four steps are observable in the c-axis magnetization process up to 300 kOe. The magnetization process is discussed in terms of the incommensurate exchange field model in the Ising system proposed by Date.

  3. 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

  4. 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.

  5. Effect of Solidification Condition on Microstructure and Mechanical Properties of Single Crystal Superalloy

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    CMSX-2 single crystals with different primary dendrite arm spacing were obtained on directional solidification apparatus with high temperature gradient (250 K/cm). The microstructure and elevated temperature stress rupture properties of these single crystals were examined and analyzed.

  6. Crystallization Kinetics within a Generic Modeling Framework

    DEFF Research Database (Denmark)

    Meisler, Kresten Troelstrup; von Solms, Nicolas; Gernaey, Krist V.

    2014-01-01

    to the modeling of various kinetic phenomena like nucleation, growth, agglomeration, and breakage are discussed in terms of model forms, model parameters, their availability and/or estimation, and their selection and application for specific crystallization operational scenarios under study. The advantages......A new and extended version of a generic modeling framework for analysis and design of crystallization operations is presented. The new features of this framework are described, with focus on development, implementation, identification, and analysis of crystallization kinetic models. Issues related...... of employing a well-structured model library for storage, use/reuse, and analysis of the kinetic models are highlighted. Examples illustrating the application of the modeling framework for kinetic model discrimination related to simulation of specific crystallization scenarios and for kinetic model parameter...

  7. Model predictive control of MSMPR crystallizers

    Science.gov (United States)

    Moldoványi, Nóra; Lakatos, Béla G.; Szeifert, Ferenc

    2005-02-01

    A multi-input-multi-output (MIMO) control problem of isothermal continuous crystallizers is addressed in order to create an adequate model-based control system. The moment equation model of mixed suspension, mixed product removal (MSMPR) crystallizers that forms a dynamical system is used, the state of which is represented by the vector of six variables: the first four leading moments of the crystal size, solute concentration and solvent concentration. Hence, the time evolution of the system occurs in a bounded region of the six-dimensional phase space. The controlled variables are the mean size of the grain; the crystal size-distribution and the manipulated variables are the input concentration of the solute and the flow rate. The controllability and observability as well as the coupling between the inputs and the outputs was analyzed by simulation using the linearized model. It is shown that the crystallizer is a nonlinear MIMO system with strong coupling between the state variables. Considering the possibilities of the model reduction, a third-order model was found quite adequate for the model estimation in model predictive control (MPC). The mean crystal size and the variance of the size distribution can be nearly separately controlled by the residence time and the inlet solute concentration, respectively. By seeding, the controllability of the crystallizer increases significantly, and the overshoots and the oscillations become smaller. The results of the controlling study have shown that the linear MPC is an adaptable and feasible controller of continuous crystallizers.

  8. Employing a cylindrical single crystal in gas-surface dynamics.

    Science.gov (United States)

    Hahn, Christine; Shan, Junjun; Liu, Ying; Berg, Otto; Kleijn, Aart W; Juurlink, Ludo B F

    2012-03-21

    We describe the use of a polished, hollow cylindrical nickel single crystal to study effects of step edges on adsorption and desorption of gas phase molecules. The crystal is held in an ultra-high vacuum apparatus by a crystal holder that provides axial rotation about a [100] direction, and a crystal temperature range of 89 to 1100 K. A microchannel plate-based low energy electron diffraction/retarding field Auger electron spectrometer (AES) apparatus identifies surface structures present on the outer surface of the cylinder, while a separate double pass cylindrical mirror analyzer AES verifies surface cleanliness. A supersonic molecular beam, skimmed by a rectangular slot, impinges molecules on a narrow longitudinal strip of the surface. Here, we use the King and Wells technique to demonstrate how surface structure influences the dissociation probability of deuterium at various kinetic energies. Finally, we introduce spatially-resolved temperature programmed desorption from areas exposed to the supersonic molecular beam to show how surface structures influence desorption features.

  9. Magnesium single crystals for biomedical applications grown in vertical Bridgman apparatus

    Science.gov (United States)

    Salunke, Pravahan; Joshi, Madhura; Chaswal, Vibhor; Zhang, Guangqi; Rosenbaum, Leonard A.; Dowling, Kevin; Decker, Paul; Shanov, Vesselin

    2016-10-01

    This paper describes successful efforts to design, build, test, and utilize a single crystal apparatus using the Bridgman approach for directional solidification. The created instrument has been successfully tested to grow magnesium single crystals from melt. Preliminary mechanical tests carried out on these single crystals indicate unique and promising properties, which can be harnessed for biomedical applications.

  10. 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.

  11. Organic single-crystal light-emitting field-effect transistors

    NARCIS (Netherlands)

    Hotta, Shu; Yamao, Takeshi; Bisri, Satria Zulkarnaen; Takenobu, Taishi; Iwasa, Yoshihiro

    2014-01-01

    Growth and characterisation of single crystals constitute a major field of materials science. In this feature article we overview the characteristics of organic single-crystal light-emitting field-effect transistors (OSCLEFETs). The contents include the single crystal growth of organic semiconductor

  12. Room-Temperature Tensile Behavior of Oriented Tungsten Single Crystals with Rhenium in Dilute Solid Solution

    Science.gov (United States)

    1966-01-01

    SINGLE CRYSTALS WITH RHENIUM IN DILUTE SOLID SOLUTION Sby M. Garfinkle Lewis Research Center Cleveland, Ohio 20060516196 NATIONAL AERONAUTICS AND...WITH RHENIUM IN DILUTE SOLID SOLUTION By M. Garfinkle Lewis Research Center Cleveland, Ohio NATIONAL AERONAUTICS AND SPACE ADMINISTRATION For sale by...ORIENTED TUNGSTEN SINGLE CRYSTALS WITH RHENIUM IN DILUTE SOLID SOLUTION * by M. Garfinkle Lewis Research Center SUMMARY Tungsten single crystals

  13. 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.

  14. Growth and Characterization of Lead-free Piezoelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Philippe Veber

    2015-11-01

    Full Text Available Lead-free piezoelectric materials attract more and more attention owing to the environmental toxicity of lead-containing materials. In this work, we review our first attempts of single crystal grown by the top-seeded solution growth method of BaTiO3 substituted with zirconium and calcium (BCTZ and (K0.5Na0.5NbO3 substituted with lithium, tantalum, and antimony (KNLSTN. The growth methodology is optimized in order to reach the best compositions where enhanced properties are expected. Chemical analysis and electrical characterizations are presented for both kinds of crystals. The compositionally-dependent electrical performance is investigated for a better understanding of the relationship between the composition and electrical properties. A cross-over from relaxor to ferroelectric state in BCTZ solid solution is evidenced similar to the one reported in ceramics. In KNLSTN single crystals, we observed a substantial evolution of the orthorhombic-to-tetragonal phase transition under minute composition changes.

  15. Structural peculiarities of single crystal diamond needles of nanometer thickness

    Science.gov (United States)

    Orekhov, Andrey S.; Tuyakova, Feruza T.; Obraztsova, Ekaterina A.; Loginov, Artem B.; Chuvilin, Andrey L.; Obraztsov, Alexander N.

    2016-11-01

    Diamond is attractive for various applications due to its unique mechanical and optical properties. In particular, single crystal diamond needles with high aspect ratios and sharp apexes of nanometer size are demanded for different types of optical sensors including optically sensing tip probes for scanning microscopy. This paper reports on electron microscopy and Raman spectroscopy characterization of the diamond needles having geometrically perfect pyramidal shapes with rectangular atomically flat bases with (001) crystallography orientation, 2-200 nm sharp apexes, and with lengths from about 10-160 μm. The needles were produced by selective oxidation of (001) textured polycrystalline diamond films grown by chemical vapor deposition. Here we study the types and distribution of defects inside and on the surface of the single crystal diamond needles. We show that sp3 type point defects are incorporated into the volume of the diamond crystal during growth, while the surface of the lateral facets is enriched by multiple extended defects. Nitrogen addition to the reaction mixture results in increase of the growth rate on {001} facets correlated with the rise in the concentration of sp3 type defects.

  16. Structural and magnetic studies on copper succinate dihydrate single crystals

    Indian Academy of Sciences (India)

    M P BINITHA; P P PRADYUMNAN

    2017-09-01

    Single crystals of copper succinate dihydrate were grown in silica gel by slow diffusion of copper chloride tosodium metasilicate gel impregnated with succinic acid. The grown crystal was subjected to single crystal X-ray diffractionstudies. In its structure each copper atom is penta co-ordinated to oxygen atoms of four succinate oxygens and oxygenof co-ordinated water molecule. The four bis-bidendate succinate anions form syn–syn bridges among two copper atomsto form a polymeric two-dimensional chain. From room temperature vibrating sample magnetometer (VSM) studies themagnetic moment of the material is calculated as 1.35 Bohr magneton (BM), indicating antiferromagnetic interaction betweencopper atoms and can be explained as due to the orbital overlap of the bridging ligand and the two copper atoms in syn-synorientation. A strong bonding of the magnetic orbital of equatorially oriented Cu atom on both sides of the exchange pathway(Cu–O-C-O–Cu) leads to the anti-ferromagnetic interaction.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-08-18

    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.

  18. Electronic properties of graphene-single crystal diamond heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Fang; Thuong Nguyen, Thuong; Golsharifi, Mohammad; Amakubo, Suguru; Jackman, Richard B., E-mail: r.jackman@ucl.ac.uk [London Centre for Nanotechnology and Department of Electronic and Electrical Engineering, University College London, 17-19 Gordon Street, London WC1H 0AH (United Kingdom); Loh, K. P. [Department of Chemistry, National University of Singapore, 3 Science Drive, Singapore 117543 (Singapore)

    2013-08-07

    Single crystal diamond has been used as a substrate to support single layer graphene grown by chemical vapor deposition methods. It is possible to chemically functionalise the diamond surface, and in the present case H-, F-, O-, and N-group have been purposefully added prior to graphene deposition. The electronic properties of the resultant heterostructures vary strongly; a p-type layer with good mobility and a band gap of ∼0.7 eV is created when H-terminated diamond layers are used, whilst a layer with more metallic-like character (high carrier density and low carrier mobility) arises when N(O)-terminations are introduced. Since it is relatively easy to pattern these functional groups on the diamond surface, this suggests that this approach may offer an exciting route to 2D device structures on single layer graphene sheets.

  19. Modeling piezoelectric crystals on the Intel delta

    Energy Technology Data Exchange (ETDEWEB)

    Canfield, T.; Jones, M.; Plassmann, P.; Tang, M. [Argonne National Lab., IL (United States)

    1993-12-31

    Piezoelectric crystals are an important component in electronic appliances such as cellular phones and pagers and a critical component of almost all resonant circuits. We are particularly interested in quartz strip resonators mounted onto a surface. These crystals must resonate in a particular vibrational manding design goal, engineers would like to be able to accurately model the behavior of the crystals in a timely fashion from their disktop workstation.

  20. Kinetic study of CO oxidation on step decorated Pt(1 1 1) vicinal single crystal electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Chen Qingsong [Institute of Electrochemistry, University of Alicante, Apartado 99, E-03080 Alicante (Spain); State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005 (China); Feliu, Juan M., E-mail: juan.feliu@ua.es [Institute of Electrochemistry, University of Alicante, Apartado 99, E-03080 Alicante (Spain); Berna, Antonio; Climent, Victor [Institute of Electrochemistry, University of Alicante, Apartado 99, E-03080 Alicante (Spain); Sun Shigang, E-mail: sgsun@xmu.edu.cn [State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005 (China)

    2011-07-01

    Highlights: > Chronoamperometry has been used to study CO oxidation on Pt stepped surfaces. > Adatoms step decoration allows determination of the role of steps on CO oxidation. > Rate constant decreases after step decoration with adatoms. > Tafel slopes are around 60-90 mV/dec, suggesting a Langmuir-Hinshelwood mechanism. - Abstract: In this work, surface modification at atomic level was applied to study the reactivity of step sites on platinum single crystal surfaces. Stepped platinum single crystal electrodes with (1 1 1) terraces separated by monoatomic step sites with different symmetry were decorated with irreversibly adsorbed adatoms, without blocking the terrace sites, and characterized in 0.1 M HClO{sub 4} solution. The kinetics of CO oxidation on the different platinum single crystal planes as well as on the step decorated surfaces has been studied using chronoamperometry. The apparent rate constants, which were determined by fitting the experimental data to a mean-field model, decrease after the steps of platinum single crystal electrodes have been blocked by the adatoms. This behavior indicates that steps are active sites for CO oxidation. Tafel slopes measured from the potential dependence of the apparent rate constants of CO oxidation were similar in all cases. This result demonstrates that the electrochemical oxidation of the CO adlayer on all the surfaces follows the same Langmuir-Hinshelwood model, irrespectively of step modification.

  1. Shape-memory effect in Co-Ni single crystal

    Institute of Scientific and Technical Information of China (English)

    周伟敏; 刘岩; 张少宗; 江伯鸿

    2004-01-01

    The thermal shape-memory effect at room temperature for Co-32% Ni(mass fraction) magnetic shape memory alloy of single crystal was presented. When compressing the sample along the [001] direction at room temperature, strain can be recovered to some extent during later heating and the recovery rate varies with the pre-strain.But no obvious recoverable strain can be obtained along other crystal directions. For the thermal-mechanical training of the sample along [001], the recovery strain decreases obviously during the second round of compress and nearly no recovery happens after the third round of compress. A possible mechanism based on reversible motions of Shockley partial dislocations was proposed.

  2. Water weakening in experimentally deformed milky quartz single crystals

    Science.gov (United States)

    Stunitz, H.; Thust, A.; Kilian, R.; Heilbronner, R.; Behrens, H.; Tarantola, A.; Fitz Gerald, J. D.

    2015-12-01

    Natural single crystals of quartz have been experimentally deformed in two orientations: (1) normal to one prism-plane, (2) In O+ orientation at temperatures of 900 and 1000°C, pressures of 1.0 and 1.5 GPa, and strain rates of ~1 x 10-6s-1. The starting material is milky quartz, consisting of dry quartz (H2O contents of recycling of H2O between FI´s, dislocation generation at very small fluid inclusions, incorporation of structurally bound H into dislocation cores, and release of H2O from dislocations back into FI´s during recovery. Cracking and crack healing play an important role in the recycling process and imply a close interrelationship between brittle and crystal plastic deformation. The H2O weakening by this process is of a disequilibrium nature and thus depends on the amount of H2O available.

  3. Multiband Effects on -FeSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic C.; Lei, H.; Graf, D.; Hu, R.; Ryu, H.; Choi, E.S.; Tozer, S.W.

    2012-03-01

    We present the upper critical fields {mu}{sub 0}H{sub c2}(T) and Hall effect in {beta}-FeSe single crystals. The {mu}{sub 0}H{sub c2}(T) increases as the temperature is lowered for fields applied parallel and perpendicular to (101), the natural growth facet of the crystal. The {mu}{sub 0}H{sub c2}(T) for both field directions and the anisotropy at low temperature increase under pressure. Hole carriers are dominant at high magnetic fields. However, the contribution of electron-type carriers is significant at low fields and low temperature. Our results show that multiband effects dominate {mu}{sub 0}H{sub c2}(T) and electronic transport in the normal state.

  4. Microhardness studies on nonlinear optical -alanine single crystals

    Indian Academy of Sciences (India)

    R Hanumantharao; S Kalainathan

    2013-06-01

    Vickers and Knoop microhardness tests were carried out on grown -alanine single crystals by slow evaporation technique over a load range of 10–50 g on selected broad (2 0 3) plane. Vickers (v) and Knoop (k) microhardness for the above loads were found to be in the range of 60–71 kg/mm2 and 35–47 kg/mm2, respectively. Vickers microhardness number (v) and Knoop microhardness number (k) were found to increase with increasing load. Meyer’s index number () calculated from v shows that the material belongs to the soft material category. Using Wooster’s empirical relation, the elastic stiffness constant (11) was calculated from Vickers hardness values. Young’s modulus was calculated using Knoop hardness values. Hardness anisotropy has been observed in accordance with the orientation of the crystal.

  5. Single Crystal Structure Determination of Alumina to 1 Mbar

    Science.gov (United States)

    Dong, H.; Zhang, L.; Prakapenka, V.; Mao, H.

    2014-12-01

    Aluminum oxide (Al2O3) is an important ceramic material and a major oxide in the earth. Additionally, alumina is a widely used pressure standard in static high-pressure experiments (Cr3+-bearing corundum, ruby). The changes of its crystal structure with pressure (P) and temperature (T) are important for its applications and understanding its physical properties in the deep Earth. There have been numerous reports on the high P-T polymorphs of alumina. Previous theoretical calculations and experiments suggest that the crystal structure of Al2O3 evolves greatly at high P-T. In this study, we used the newly developed multigrain crystallography method combined with single-crystal x-ray diffraction analysis technique for the structure determination of alumina at high P-T to provide single-crystal structure refinement for high-pressure phases of Al2O3. Alumina powder was mixed with ~10% Pt and Ne was used as both pressure transmitting media and thermal insulating layers during laser-heating. Coarse-grained aggregates of Al2O3 were synthesized in a laser-heated diamond anvil cell. The structure change of Al2O3 was monitored by in situ x-ray diffraction at ~1 Mbar and 2700 K. The results allow us to distinguish the structural differences between the Rh2O3 (II) structure (space group Pbcn) and perovskite structure (space group Pbnm) for the first high-pressure phase of Al2O3. More detailed results will be discussed in the later work.

  6. Single crystal growth and magnetic excitations of transistion metal oxide CoV2 O6

    Science.gov (United States)

    Stockdale, Christopher; Wallington, F.; Taylor, J. W.; Garcia-Sakai, V.; Arevalo-Lopez, A. M.; Attfield, P.; Stock, C.

    2015-03-01

    Low-dimensional magnetic materials are an area of interest due to their unusual properties such as metamagnetism and magnetization plateaus. Solid state synthesis has produced polycrystalline CoV2O6 which exists in two polymorphs: one with a monoclinic structure, and the other with a triclinic structure. Single crystals have been grown from polycrystalline CoV2O6 using the flux method under vacuum and are large enough to aid in single crystal neutron diffraction. Magnetic excitations have been measured using powder neutron diffraction in the low temperatures regime with variable energy. The magnetic excitations have been compared between the two phases. The energy of the system has been modelled in terms of the spin-orbit coupling, structural distortions, and the crystal field and compared to neutron data.

  7. Void growth in high strength aluminium alloy single crystals: a CPFEM based study

    Science.gov (United States)

    Asim, Umair; Siddiq, M. Amir; Demiral, Murat

    2017-04-01

    High strength aluminium alloys that are produced through forming and joining processes are widely used in aerospace components. The ductile failure in these metals occurs due to the evolution and accumulation of microscopic defects, such as microvoids and shear bands. The present work investigates the underlying physical mechanisms during ductile failure by performing a rigorous, fully-validated, three-dimensional crystal plasticity, finite element study with aluminium alloy single crystals. Representative volume element (RVE) based simulations of single crystalline aluminium alloys (AA-5xxx) with different void geometries and orientations have been performed. Both local and nonlocal crystal plasticity constitutive models have been implemented in a finite element framework and are used to seek new insights into the interrelationships among void growth, initial porosity, initial void size, plastic anisotropy, and local/nonlocal size effects.

  8. Steady-state crack growth in single crystals under Mode I loading

    DEFF Research Database (Denmark)

    Juul, Kristian Jørgensen; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2017-01-01

    The active plastic zone that surrounds the tip of a sharp crack growing under plane strain Mode I loading conditions at a constant velocity in a single crystal is studied. Both the characteristics of the plastic zone and its effect on the macroscopic toughness is investigated in terms of crack ti...... monotonically increases the crack tip shielding, whereas the opposite behaviour is observed at high velocities. This observation leads to the existence of a characteristic velocity at which the crack tip shielding becomes independent of the rate-sensitivity....... shielding due to plasticity (quantified by employing the Suo, Shih, and Varias set-up). Three single crystals (FCC, BCC, HCP) are modelled in a steady-state elastic visco-plastic framework, with emphasis on the influence of rate-sensitivity and crystal structures. Distinct velocity discontinuities...... that the largest shielding effect develops in HCP crystals, while the lowest shielding exists for FCC crystals. Rate-sensitivity is found to affect the plastic zone size, but the characteristics overall remain similar for each individual crystal structure. An increasing rate-sensitivity at low crack velocities...

  9. Evaluation method of multiaxial low cycle fatigue life for cubic single crystal material

    Institute of Scientific and Technical Information of China (English)

    CHEN Jiping; DING Zhiping

    2007-01-01

    The coupling effect of normal stress and shear stress on orthotropic materials happens when applied loading deflects from the directions of the principal axes of the material coordinate system.By taking account of the coupling effects,formulas of equivalent stress and strain for cubic single crystal materials are cited.Using the equivalent strain and equivalent stress for such material and a variable k,which is introduced to express the effect of asymmetrical cyclic loading on fatigue life,a low cycle fatigue (LCF) life prediction model for such material in multiaxial stress starts is proposed.On the basis of the yield criterion and constitutive model of cubic single crystal materials,a subroutine to calculate the thermo elastic-plastic stress-strain of the material on an ANSYS platform was developed.The cyclic stress-strain of DD3 notched specimens under asymmetrical loading at 680℃ was analyzed.Low cycle fatigue test data of the single crystal nickel-based superalloy are used to fit the different parameters of the power law with multiple linear regression analysis.The equivalent stress and strain for a cubic single crystal material as failure parameters have the largest correlation coefficient.A power law exists between k and the failure cycle.The model was validated with LCF test data of CMSX-2 and DD3 single crystal nickel-based superalloys.All the test data fall into the factor of 2.5 for CMSX-2 hollow cylinder specimens and 2.0 scatter band for DD3 notched specimens,respectively.

  10. EPR investigation of gamma irradiated single crystal guaifenesin: A combined experimental and computational study

    Science.gov (United States)

    Tasdemir, Halil Ugur; Sayin, Ulku; Türkkan, Ercan; Ozmen, Ayhan

    2016-04-01

    Gamma irradiated single crystal of Guaifenesin (Glyceryl Guaiacolate), an important expectorant drug, were investigated with Electron Paramagnetic Resonance (EPR) spectroscopy between 123 and 333 K temperature at different orientations in the magnetic field. Considering the chemical structure and the experimental spectra of the gamma irradiated single crystal of guaifenesin sample, we assumed that alkoxy or alkyl-type paramagnetic species may be produced by irradiation. Depending on this assumption, eight possible alkoxy and alkyl-type radicals were modeled and EPR parameters of these modeled radicals were calculated using the B3LYP/6-311++G(d,p)-level of density functional theory (DFT). Theoretically calculated values of alkyl-type modeled radical(R3) are in good agreement with experimentally determined EPR parameters of single crystal. Furthermore, simulation spectra which are obtained by using the theoretical initial values are well matched with the experimental spectra. It was determined that a stable Cα •H2αCβHβCγH2γ (R3) alkyl radical was produced in the host crystal as a result of gamma irradiation.

  11. Fabrication of ZnO Bi-crystals with twist boundaries using Co doped ZnO single crystals

    CERN Document Server

    Ohashi, N; Ohgaki, T; Tsurumi, T; Fukunaga, O; Haneda, H; Tanaka, J

    1999-01-01

    Zn O single crystals doped with Co were grown by using a flux method and their electrical properties were investigated by Hall effect. Then, these crystals were polished with diamond paste and bonded to form bi-crystal by hot pressing under a pressure of 10 MPa at 1000 .deg. C. The bi-crystals showed nonlinear I-V curves, and the curvature of I-V relation agreed with that for Co-doped polycrystalline ZnO.

  12. The evolution of model catalytic systems; studies of structure, bonding and dynamics from single crystal metal surfaces to nanoparticles, and from low pressure (10(-3) Torr) to liquid interfaces.

    Science.gov (United States)

    Somorjai, Gabor A; York, Roger L; Butcher, Derek; Park, Jeong Y

    2007-07-21

    The material and pressure gap has been a long standing challenge in the field of heterogeneous catalysis and have transformed surface science and biointerfacial research. In heterogeneous catalysis, the material gap refers to the discontinuity between well-characterized model systems and industrially relevant catalysts. Single crystal metal surfaces have been useful model systems to elucidate the role of surface defects and the mobility of reaction intermediates in catalytic reactivity and selectivity. As nanoscience advances, we have developed nanoparticle catalysts with lithographic techniques and colloidal syntheses. Nanoparticle catalysts on oxide supports allow us to investigate several important ingredients of heterogeneous catalysis such as the metal-oxide interface and the influence of noble metal particle size and surface structure on catalytic selectivity. Monodispersed nanoparticle and nanowire arrays were fabricated for use as model catalysts by lithographic techniques. Platinum and rhodium nanoparticles in the 1-10 nm range were synthesized in colloidal solutions in the presence of polymer capping agents. The most catalytically active systems are employed at high pressure or at solid-liquid interfaces. In order to study the high pressure and liquid interfaces on the molecular level, experimental techniques with which we bridged the pressure gap in catalysis have been developed. These techniques include the ultrahigh vacuum system equipped with high pressure reaction cell, high pressure Sum Frequency Generation (SFG) vibration spectroscopy, High Pressure Scanning Tunneling Microscopy (HP-STM), and High Pressure X-ray Photoemission Spectroscopy (HP-XPS), and Quartz Crystal Microbalance (QCM). In this article, we overview the development of experimental techniques and evolution of the model systems for the research of heterogeneous catalysis and biointerfacial studies that can shed light on the long-standing issues of materials and pressure gaps.

  13. Pressure-induced superconductivity in Bi single crystals

    Science.gov (United States)

    Li, Yufeng; Wang, Enyu; Zhu, Xiyu; Wen, Hai-Hu

    2017-01-01

    Measurements on resistivity and magnetic susceptibility have been carried out for Bi single crystals under pressures up to 10.5 GPa. The temperature dependent resistivity shows a semimetallic behavior at ambient and low pressures (below about 1.6 GPa). This is followed by an upturn of resistivity in the low temperature region when the pressure is increased, which is explained as a semiconductor behavior. This feature gradually gets enhanced up to a pressure of about 2.52 GPa. Then a nonmonotonic temperature dependent resistivity appears upon further increasing pressure, which is accompanied by a strong suppression to the low temperature resistivity upturn. Simultaneously, a superconducting transition occurs at about 3.92 K under a pressure of about 2.63 GPa. With further increasing pressure, a second superconducting transition emerges at about 7 K under about 2.8 GPa. For these two superconducting states, the superconductivity induced magnetic screening volumes are quite large. As the pressure further increases to 8.1 GPa, we observe the third superconducting transition at about 8.2 K. The resistivity measurements under magnetic field allow us to determine the upper critical fields μ0Hc 2 of the superconducting phases. The upper critical field for the phase with Tc=3.92 K is extremely low. Based on the Werthamer-Helfand-Hohenberg (WHH) theory, the estimated value of μ0Hc 2 for this phase is about 0.103 T, while the upper critical field for the phase with Tc=7 K is very high with a value of about 4.56 T. Finally, we present a pressure dependent phase diagram of Bi single crystals. Our results reveal the interesting and rich physics in bismuth single crystals under high pressure.

  14. Characteristics of photoconductivity in thallium monosulfide single crystals

    Indian Academy of Sciences (India)

    I M Ashraf; H A Elshaikh; A M Badr

    2007-03-01

    This work elucidates the photoconductivity (PC) of thallium monosulfide single crystals. Results are obtained in the 77-300 K temperature range, 1500-4500 V lx excitation intensity, 6-18 V applied voltage, and in the 640-1500 nm wavelength range. Both the ac-photoconductivity (ac-PC) and the spectral distribution of the photocurrent are studied in different values of light intensity, applied voltage and temperature. Dependencies of carrier lifetime on light intensity, applied voltage and temperature are also investigated as a result of the ac-PC measurements. The temperature dependence of the energy gap width was described by studying the dc-photoconductivity (dc-PC).

  15. Exciton optical transitions in a hexagonal boron nitride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Museur, L. [Laboratoire de Physique des Lasers - LPL, CNRS UMR 7538, Institut Galilee, Universite Paris 13, 93430 Villetaneuse (France); Brasse, G.; Maine, S.; Ducastelle, F.; Loiseau, A. [ONERA - Laboratoire d' Etude des Microstructures - LEM, ONERA-CNRS, UMR 104, BP 72, 92322 Chatillon Cedex (France); Pierret, A. [ONERA - Laboratoire d' Etude des Microstructures - LEM, ONERA-CNRS, UMR 104, BP 72, 92322 Chatillon Cedex (France); CEA-CNRS, Institut Neel/CNRS, Universite J. Fourier, CEA/INAC/SP2M, 17 rue des Martyrs, 38 054 Grenoble Cedex 9 (France); Attal-Tretout, B. [ONERA - Departement Mesures Physiques - DMPh, 27 Chemin de la Huniere, 91761 Palaiseau Cedex (France); Barjon, J. [GEMaC, Universite de Versailles St Quentin, CNRS Bellevue, 1 Place Aristide Briand, 92195 Meudon Cedex (France); Watanabe, K.; Taniguchi, T. [National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044 (Japan); Kanaev, A. [Laboratoire des Sciences des Procedes et des Materiaux - LSPM, CNRS UPR 3407, Universite Paris 13, 93430 Villetaneuse (France)

    2011-06-15

    Near band gap photoluminescence (PL) of a hexagonal boron nitride single crystal has been studied at cryogenic temperatures with synchrotron radiation excitation. The PL signal is dominated by trapped-exciton optical transitions, while the photoluminescence excitation (PLE) spectra show features assigned to free excitons. Complementary photoconductivity and PLE measurements set the band gap transition energy to 6.4 eV and the Frenkel exciton binding energy larger than 380 meV. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Oxygen diffusion in [alpha]-Zr single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hood, G.M. (Reactor Materials Research Branch, Chalk River Laboratories, Atomic Energy of Canada Ltd., Chalk River, Ontario (Canada)); Zou, H. (Reactor Materials Research Branch, Chalk River Laboratories, Atomic Energy of Canada Ltd., Chalk River, Ontario (Canada)); Herbert, S. (Reactor Materials Research Branch, Chalk River Laboratories, Atomic Energy of Canada Ltd., Chalk River, Ontario (Canada)); Schultz, R.J. (Reactor Materials Research Branch, Chalk River Laboratories, Atomic Energy of Canada Ltd., Chalk River, Ontario (Canada)); Nakajima, H. (Department of Materials Science and Technology, Iwate University, Morioka 020 (Japan)); Jackman, J.A. (Metals Science and Technology, CANMET, Booth St., Ottawa, Ontario (Canada))

    1994-06-01

    Oxygen diffusion coefficients, D, have been measured in [alpha]-Zr single crystals in directions both parallel and perpendicular to the c-axis. The measurements, made in the interval 610-870 K, show that diffusion anisotropy is weak and that D is little affected by specimen impurity content. The values determined here are in good agreement with the bulk of previous literature data for the same temperature interval but they are about ten times larger than corresponding values found in a very recent AES study. ((orig.))

  17. Diffusion of Ti in [alpha]-Zr single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hood, G.M. (Reactor Materials Division Atomic Energy of Canada Ltd., Chalk River Laboratories, Chalk River, Ontario (Canada)); Zou, H. (Reactor Materials Division Atomic Energy of Canada Ltd., Chalk River Laboratories, Chalk River, Ontario (Canada)); Schultz, R.J. (Reactor Materials Division Atomic Energy of Canada Ltd., Chalk River Laboratories, Chalk River, Ontario (Canada)); Bromley, E.H.; Jackman, J.A. (CANMET, Metals Technology Laboratories, Ottawa, Ontario (Canada))

    1994-12-01

    Ti diffusion coefficients (D) have been measured in nominally pure [alpha]-Zr single crystals (773-1124 K) in directions both parallel (D[sub pa]) and perpendicular (D[sub pe], few data) to the c-axis: tracer techniques and secondary ion mass spectrometry were used to determine the diffusion profiles. The results show a temperature dependence which may be interpreted in terms of two regions of diffusion behaviour. Above 1035 K, region I, diffusion conforms to the expectations of intrinsic behaviour with normal Arrhenius law constants: Below 1035 K, region II, D's appear to be enhanced with respect to an extrapolation of region I behaviour. ((orig.))

  18. 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.

  19. Growth of bulk gadolinium pyrosilicate single crystals for scintillators

    Science.gov (United States)

    Gerasymov, I.; Sidletskiy, O.; Neicheva, S.; Grinyov, B.; Baumer, V.; Galenin, E.; Katrunov, K.; Tkachenko, S.; Voloshina, O.; Zhukov, A.

    2011-03-01

    Ce, Pr, and La-doped gadolinium pyrosilicate Gd2Si2O7 (GPS) single crystals were grown by the Czochralski and Top Seeded Solution Growth (TSSG) techniques for the first time. Formation conditions of different pyrosilicate phases were determined. X-ray luminescence integral intensity of Ce-doped GPS is about one order of magnitude higher in comparison with gadolinium oxyorthosilicate Gd2SiO5:Ce (GSO:Ce). All samples demonstrate temperature stability of luminescence yield up to 400 K.

  20. Nonlinear microwave switching response of BSCCO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, T.; Sridhar, S. [Northeastern Univ., Boston, MA (United States). Dept. of Physics; Willemsen, B.A. [Northeastern Univ., Boston, MA (United States). Dept. of Physics]|[Rome Lab., Hanscom AFB, MA (United States); Li, Qiang [Brookhaven National Lab., Upton, NY (United States); Gu, G.D.; Koshizuka, N. [Superconductivity Research Lab., Tokyo (Japan)

    1996-06-01

    Measurements of the surface impedance in Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} single crystal with microwave currents flowing along the {cflx c} axis show clear evidence of a step-like nonlinearity. The surface resistance switches between apparently quantized levels for microwave field strength changes < 1 mG. This nonlinear response can arise from the presence of intrinsic Josephson junctions along the {cflx c} axis of these samples driven by the microwave current.

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

    DEFF Research Database (Denmark)

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

    2005-01-01

    Zeolitcs are crystalline materials, which are widely used as solid acid catalysts and supports in many industrial processes. Recently, mesoporous MFI-type zeolite single crystals were synthesized by use of carbon particles as a mesopore template and sodium aluminate as the aluminum Source...... 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...

  2. The sublimation kinetics of GeSe single crystals

    Science.gov (United States)

    Irene, E. A.; Wiedemeier, H.

    1975-01-01

    The sublimation kinetics of (001) oriented GeSe single crystal platelets was studied by high-temperature mass spectroscopy, quantitative vacuum microbalance techniques, and hot stage optical microscopy. For a mean experimental temperature of 563 K, the activation enthalpy and entropy are found to equal 32.3 kcal/mole and 19.1 eu, respectively. The vaporization coefficient is less than unity for the range of test temperatures, and decreases with increasing temperature. The combined experimental data are correlated by means of a multistep surface adsorption mechanism.

  3. 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.

  4. 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.

  5. Single crystal piezoelectric composites for advanced NDT ultrasound

    Science.gov (United States)

    Jiang, Xiaoning; Snook, Kevin; Hackenberger, Wesley S.; Geng, Xuecang

    2007-04-01

    In this paper, the design, fabrication and characterization of PMN-PT single crystal/epoxy composites are reported for NDT ultrasound transducers. Specifically, 1-3 PMN-PT/epoxy composites with center frequencies of 5 MHz - 40 MHz were designed and fabricated using either the dice-and-fill method or a photolithography based micromachining process. The measured electromechanical coefficients for composites with frequency of 5 MHz - 15 MHz were about 0.78-0.83, and the coupling coefficients for composites with frequencies of 25 MHz- 40 MHz were about 0.71-0.72. The dielectric loss remains low (advanced NDT ultrasound applications.

  6. 9R structure in drawn industrial single crystal copper wires

    Institute of Scientific and Technical Information of China (English)

    CHEN Jian; YAN Wen; FAN Xin-hui

    2009-01-01

    By using transmission electron microscopy, the microstructures of drawn industrial single crystal copper wires produced by Ohno Continuous Casting(OCC) process were analyzed. The results show that the typical microstructures in the wires mainly include extended planar dislocation boundaries, a small fraction of twins and some dislocation cells sharing boundaries parallel to drawn direction. Besides the typical microstructures, 9R structure configurations were observed in the wires. The formation of 9R polytypes may be caused by the coupled emission of Shockley dislocations from a boundary.

  7. Tensor tomography of stresses in cubic single crystals

    Directory of Open Access Journals (Sweden)

    Dmitry D. Karov

    2015-03-01

    Full Text Available The possibility of optical tomography applying to investigation of a two-dimensional and a three-dimensional stressed state in single cubic crystals has been studied. Stresses are determined within the framework of the Maxwell piezo-optic law (linear dependence of the permittivity tensor on stresses and weak optical anisotropy. It is shown that a complete reconstruction of stresses in a sample is impossible both by translucence it in the parallel planes system and by using of the elasticity theory equations. For overcoming these difficulties, it is offered to use a method of magnetophotoelasticity.

  8. 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.

  9. Surface enhanced Raman spectroscopy and quantum chemical studies on glycine single crystal

    Science.gov (United States)

    Parameswari, A.; Premkumar, S.; Premkumar, R.; Milton Franklin Benial, A.

    2016-07-01

    Adsorption characteristics of glycine (Gly) on silver surface were investigated based on density functional theory calculations and surface enhanced Raman spectroscopy (SERS) technique. The single crystals of Gly were grown by slow evaporation method and characterized by single crystal X-ray diffraction (XRD) technique. Silver nanoparticles (Ag NPs) were prepared by solution combustion method using Gly as fuel. The Ag NPs were characterized by XRD, ultraviolet-visible spectroscopy and high-resolution transmission electron microscopy techniques. The calculated structural parameters of Gly molecule were compared with the experimental observed single crystal XRD data. The structural parameters of Gly after adsorption on silver surface show the slight deviation, which indicates the interaction between the Gly and Ag3 cluster. Raman and SERS spectra for Gly single crystal were studied experimentally. Raman frequencies were calculated for Gly and Gly adsorbed on a silver surface. Raman and SERS frequencies were assigned on the basis of potential energy distribution calculation and compared with the experimental values. Frontier molecular orbital analysis was carried out for Gly and Gly adsorbed on a silver surface. The band gap value was significantly reduced for Gly after adsorption on the silver surface. The reduction in band gap indicates the delocalization of electrons, which leads to the higher bioactivity of the title molecule. SERS spectral analysis reveals that the Gly adsorbed as a stand-on orientation on the silver surface. Hence, the present investigation has been developed as a model system to understand the interaction of Ag NPs with amino acids.

  10. 基于ANSYS的单晶炉整体结构模态分析%The Model Analysis for the Whole Structure of the Single Crystal Furnace Based on ANSYS

    Institute of Scientific and Technical Information of China (English)

    白艳霞; 赵云波

    2016-01-01

    In practical production, flexible shaft of lifting system swing and surface of molten polysilicon in the crucible shaking often appear during seeding stage, which influenced quality of crystal and production efficiency seriously.The paper established 3D solid model of the whole structure of the single crystal furnace and its finite element model. The model analysis of overall structure were made respectively so as to find out the reasons of flexible shaft swing and the surface shaking during seeding stage;Finally, based on the analysis, improvement on the furnace structure was finished to make its inherent frequency avoid the external excitation frequency.%实际生产发现,某型号单晶炉提拉系统在引晶阶段常会出现软轴摆动和坩埚中多晶体液面不稳定的现象,严重影响单晶硅的质量和生产效率。本文建立某型号单晶炉整体结构的有限元模型,对单晶炉整体结构做引晶阶段的模态分析,找出提拉系统软轴摆动和坩埚液面抖动的原因,为实际生产提供参考。同时,根据静力分析和模态分析的结果对单晶炉结构进行改进,在保证其强度和刚度的情况下,使单晶炉的固有频率尽可能地避开外源激振频率,解决该型号单晶炉在生产中出现的问题。

  11. Analysis of the temperature dependence of the thermal conductivity of insulating single crystal oxides

    Directory of Open Access Journals (Sweden)

    E. Langenberg

    2016-10-01

    Full Text Available The temperature dependence of the thermal conductivity of 27 different single crystal oxides is reported from ≈20 K to 350 K. These crystals have been selected among the most common substrates for growing epitaxial thin-film oxides, spanning over a range of lattice parameters from ≈3.7 Å to ≈12.5 Å. Different contributions to the phonon relaxation time are discussed on the basis of the Debye model. This work provides a database for the selection of appropriate substrates for thin-film growth according to their desired thermal properties, for applications in which heat management is important.

  12. ‘Ionic crystals’ consisting of trinuclear macrocations and polyoxometalate anions exhibiting single crystal to single crystal transformation: breathing of crystals

    Indian Academy of Sciences (India)

    T ARUMUGANATHAN; ASHA SIDDIKHA; SAMAR K DAS

    2017-08-01

    Ion pairing of trinuclear macrocation cluster (known as basic carboxylate), [M ₃ (μ ₃-O) (ClCH ₂COO) ₆ (H ₂O) ₃] ¹⁺ and a Keggin type polyoxometalate cluster anion [SiW ₁₂O₄₀] ⁴⁻ is stabilized with a number of crystal water molecules in composite type compounds [M ₃ (μ ₃-O)(ClCH ₂COO) ₆ (H ₂O) ₃] ₄[SiW ₁₂O₄₀] ·xH ₂O · 2ClCH ₂COOH [M = Fe ³⁺, x = 18(1); M = Cr ³⁺x = 14(2)]. When the crystals of 1 are heated at 85◦C and 135◦C for 3.5 hours in an open atmospheric condition, it goes to [Fe ₃ (μ ₃-O)(ClCH ₂COO) ₆ (H ₂O) ₃] ₄ [SiW ₁₂O₄₀] ·10H ₂O ·2ClCH ₂COOH (dehydrated 1-85o ≡ 1'), and [Fe ₃ (μ ₃-O) (ClCH ₂COO) ₆ (H ₂O) ₃] ₄ [SiW ₁₂O₄₀] · 8H ₂O · 2ClCH ₂COOH (dehydrated 1-135o ≡ 1'') respectively with the loss of considerable amount of lattice water molecules retaining their single crystallinity. On the other hand, the single crystals of compound 2, upon heating at 85◦C or 135◦C for 3.5 hours, undergo ‘crystal-to-crystal transformation’ to the single crystals of [Cr ₃ (μ ₃-O)(ClCH ₂COO) ₆ (H ₂O) ₃] ₄ [SiW₁₂O₄₀]·8H₂O·2ClCH ₂COOH (dehydrated 2 ≡ 2'). Crystal structure analyses show that the parent compounds 1 and 2 undergo molecular rearrangement (molecular motion in the solid state) in respective dehydrated compounds. Remarkably, these dehydrated crystals (1', 1'' and 2'), upon exposure to water vapor at an ambient condition, regenerate the crystals of parent compounds 1 and 2, respectively

  13. Single nanoparticle detection using photonic crystal enhanced microscopy.

    Science.gov (United States)

    Zhuo, Yue; Hu, Huan; Chen, Weili; Lu, Meng; Tian, Limei; Yu, Hojeong; Long, Kenneth D; Chow, Edmond; King, William P; Singamaneni, Srikanth; Cunningham, Brian T

    2014-03-07

    We demonstrate a label-free biosensor imaging approach that utilizes a photonic crystal (PC) surface to detect surface attachment of individual dielectric and metal nanoparticles through measurement of localized shifts in the resonant wavelength and resonant reflection magnitude from the PC. Using a microscopy-based approach to scan the PC resonant reflection properties with 0.6 μm spatial resolution, we show that metal nanoparticles attached to the biosensor surface with strong absorption at the resonant wavelength induce a highly localized reduction in reflection efficiency and are able to be detected by modulation of the resonant wavelength. Experimental demonstrations of single-nanoparticle imaging are supported by finite-difference time-domain computer simulations. The ability to image surface-adsorption of individual nanoparticles offers a route to single molecule biosensing, in which the particles can be functionalized with specific recognition molecules and utilized as tags.

  14. 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.

  15. Homogeneous models for bianisotropic crystals

    CERN Document Server

    Ponti, S; Oldano, C

    2002-01-01

    We extend to bianisotropic structures a formalism already developed, based on the Bloch method for defining the effective dielectric tensor of anisotropic crystals in the long-wavelength approximation. More precisely, we provide a homogenization scheme which yields a wavevector-dependent effective medium for any 3D, 2D, or 1D bianisotropic crystal. We illustrate our procedure by applying this to a 1D magneto-electric smectic C*-type structure. The resulting equations confirm that the presence of dielectric and magnetic susceptibilities in the periodic structures generates magneto-electric pseudo-tensors for the effective medium. Their contribution to the optical activity of structurally chiral media can be of the same order of magnitude as the one present in dielectric helix-shaped crystals. Simple analytical expressions are found for the most important optical properties of smectic C*-type structures which are simultaneously dielectric and magnetic.

  16. Q-switching with single crystal photo-elastic modulators

    Science.gov (United States)

    Bammer, F.; Petkovsek, R.

    2011-02-01

    An overview is given about experiments with a new method for Q-switching lasers at a constant pulse repetition frequency. It uses inside the laser resonator a Single Crystal Photo-Elastic Modulator (SCPEM). This consists of one piezo-electric crystal electrically excited on a mechanical resonance frequency. In resonance mechanical stresses are induced that lead via the photo-elastic effect to a strongly modulated birefringence. Polarized light going through such an oscillating crystal will experience a significant modulation of its polarization and of transmission through a polarizer. Suitable materials should not be optically active, as it is for example the case for SiO2, and should allow the excitation of a longitudinal oscillation with an electric field perpendicular to the travelling direction of the light. Crystals of the group 3m, like LiTaO3 and LiNbO3, proved to be ideally suited for SCPEMS for the NIR- and VIS-region. For the infrared GaAs can be used. We demonstrated SCPEM-Q-switching for a Nd:YAG-fiber, a Nd:YVO4-slab- and a Nd:YAG-rod-laser with typical pulse repetition rates of 100-200kHz, pulse enhancement factors of 100 and pulse durations {1/100 of the period time. Typically the average power during pulsed operation is nearly the same as the cw-power, when the modulator is switched off. The most stable results were achieved up to now with the Nd:YVO4-slab-laser at 10W average power, 1.1 kW peak power, 127 kHz pulse repetition rate, and 70ns pulse durations.

  17. Growth and properties of Lithium Salicylate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, N; Newby, J; Hull, G; Saw, C; Carman, L; Cherepy, N; Payne, S

    2009-02-13

    An attractive feature of {sup 6}Li containing fluorescence materials that determines their potential application in radiation detection is the capture reaction with slow ({approx}< 100 keV) neutrons: {sup 6}Li + n = {sup 4}He + {sup 3}H + 4.8MeV. The use of {sup 6}Li-salicylate (LiSal, LiC{sub 6}H{sub 5}O{sub 3}) for thermal neutron detection was previously studied in liquid and polycrystalline scintillators. The studies showed that both liquid and polycrystalline LiSal scintillators could be utilized in pulse shape discrimination (PSD) techniques that enable separation of neutrons from the background gamma radiation. However, it was found that the efficiency of neutron detection using LiSal in liquid solutions was severely limited by its low solubility in commonly used organic solvents like, for example, toluene or xylene. Better results were obtained with neutron detectors containing the compound in its crystalline form, such as pressed pellets, or microscopic-scale (7-14 micron) crystals dispersed in various media. The expectation drown from these studies was that further improvement of pulse height, PSD, and efficiency characteristics could be reached with larger and more transparent LiSal crystals, growth of which has not been reported so far. In this paper, we present the first results on growth and characterization of relatively large, a cm-scale size, single crystals of LiSal with good optical quality. The crystals were grown both from aqueous and anhydrous (methanol) media, mainly for neutron detection studies. However, the results on growth and structural characterization may be interesting for other fields where LiSal, together with other alkali metal salicylates, is used for biological, medical, and chemical (as catalyst) applications.

  18. The crystal structure and twinning of neodymium gallium perovskite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ubizskii, S.B.; Vasylechko, L.O.; Savytskii, D.I.; Matkovskii, A.O.; Syvorotka, I.M. [Res. Production Amalgamation Carat, L' viv (Ukraine)

    1994-10-01

    By means of X-ray structure analysis, the crystal structure of neodymium gallium perovskite (NGP) single crystals (NdGaO{sub 3}) being used as a substrate for HTSC film epitaxy has been refined and the position of atoms has been determined. The possibility of YBa{sub 2}Cu{sub 3}O{sub 7-x} film epitaxy on the plane (110) of NGP crystal as well as its advantages and pitfalls are analysed from structural data. The twinning types in the NGP crystal were established. The twinning structure of NGP substrates is found to be stable up to a temperature of 1173 K, as differentiated from the LaGaO{sub 3} and LaAlO{sub 3} substrates. It is intimated that the twinning in the NGP substrates oriented as (001) can result in creation of 90 degrees twin bonds in a film, and in the case of (110)-oriented plates it is possible to ignore the twinning presence in substrate completely. (author)

  19. Aging and memory effect in magnetoelectric gallium ferrite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Vijay; Mukherjee, Somdutta [Department of Physics, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Mitra, Chiranjib [Department of Physics, Indian Institute of Science Education and Research, Kolkata 741252 (India); Garg, Ashish [Department of Materials Science and Engineering, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Gupta, Rajeev, E-mail: guptaraj@iitk.ac.in [Department of Physics, Indian Institute of Technology Kanpur, Kanpur 208016 (India); Materials Science Programme, Indian Institute of Technology Kanpur, Kanpur 208016 (India)

    2015-02-01

    Here, we present a time and temperature dependent magnetization study to understand the spin dynamics in flux grown single crystals of gallium ferrite (GaFeO{sub 3}), a known magnetoelectric, ferroelectric and ferrimagnet. Results of the magnetic measurements conducted in the field-cooled (FC) and zero-field-cooled (ZFC) protocols in the heating and cooling cycles were reminiscent of a “memory” effect. Subsequent time dependent magnetic relaxation measurements carried out in ZFC mode at 30 K with an intermittent cooling to 20 K in the presence of a small field show that the magnetization in the final wait period tends to follow its initial state which was present before the cooling break taken at 20 K. These observations provide an unambiguous evidence of single crystal gallium ferrite having a spin glass like phase. - Highlights: • Gallium ferrite a room temperature magnetoelectric and ferrimagnetic material. • Spin‐glass like phase at low temperatures below ∼200 K. • Observation of memory and aging effects in GFO.

  20. Large single-crystal diamond substrates for ionizing radiation detection

    Energy Technology Data Exchange (ETDEWEB)

    Girolami, Marco; Bellucci, Alessandro; Calvani, Paolo; Trucchi, Daniele M. [Istituto di Struttura della Materia (ISM), Consiglio Nazionale delle Ricerche (CNR), Sede Secondaria di Montelibretti, Monterotondo Stazione, Roma (Italy)

    2016-10-15

    The need for large active volume detectors for ionizing radiations and particles, with both large area and thickness, is becoming more and more compelling in a wide range of applications, spanning from X-ray dosimetry to neutron spectroscopy. Recently, 8.0 x 8.0 mm{sup 2} wide and 1.2 mm thick single-crystal diamond plates have been put on the market, representing a first step to the fabrication of large area monolithic diamond detectors with optimized charge transport properties, obtainable up to now only with smaller samples. The more-than-double thickness, if compared to standard plates (typically 500 μm thick), demonstrated to be effective in improving the detector response to highly penetrating ionizing radiations, such as γ-rays. Here we report on the first measurements performed on large active volume single-crystal diamond plates, both in the dark and under irradiation with optical wavelengths (190-1100 nm), X-rays, and radioactive γ-emitting sources ({sup 57}Co and {sup 22}Na). (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Ultrafast dynamic response of single crystal β-HMX

    Science.gov (United States)

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

    2017-01-01

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

  2. Stress topology within silicon single-crystal cantilever beam

    Directory of Open Access Journals (Sweden)

    Alexander P. Kuzmenko

    2015-06-01

    Full Text Available Flexural elastic deformations of single-crystal silicon have been studied using microspectral Raman scattering. Results are reported on nano-scaled sign-changing shifts of the main peak of the microspectral Raman scattering within the single-crystal silicon cantilever beam during exposure to flexural stress. The maximum value of Raman shift characteristic of the 518 cm−1 silicon peak at which elasticity still remains has been found to be 8 cm−1 which corresponds to an applied deformation of 4 GPa. We report three-dimensional maps of the distribution of internal stresses at different levels of deformation up to irreversible changes and brittle fracture of the samples that clearly show compression and tension areas and an undeformed area. A qualitative explanation of the increase in the strength of the cantilever beam due to its small thickness (2 μm has been provided that agrees with the predictions of real-world physical parameters obtained in SolidWorks software environment with the SimulationXpress module. We have defined the relative strain of the beam surface which was 2% and received a confirmation of changes in the silicon lattice parameter from 0.54307 nm to 0.53195 nm by the BFGS algorithm.

  3. Single Crystal Diamond Needle as Point Electron Source

    Science.gov (United States)

    Kleshch, Victor I.; Purcell, Stephen T.; Obraztsov, Alexander N.

    2016-10-01

    Diamond has been considered to be one of the most attractive materials for cold-cathode applications during past two decades. However, its real application is hampered by the necessity to provide appropriate amount and transport of electrons to emitter surface which is usually achieved by using nanometer size or highly defective crystallites having much lower physical characteristics than the ideal diamond. Here, for the first time the use of single crystal diamond emitter with high aspect ratio as a point electron source is reported. Single crystal diamond needles were obtained by selective oxidation of polycrystalline diamond films produced by plasma enhanced chemical vapor deposition. Field emission currents and total electron energy distributions were measured for individual diamond needles as functions of extraction voltage and temperature. The needles demonstrate current saturation phenomenon and sensitivity of emission to temperature. The analysis of the voltage drops measured via electron energy analyzer shows that the conduction is provided by the surface of the diamond needles and is governed by Poole-Frenkel transport mechanism with characteristic trap energy of 0.2-0.3 eV. The temperature-sensitive FE characteristics of the diamond needles are of great interest for production of the point electron beam sources and sensors for vacuum electronics.

  4. 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.

  5. Modelling of transport phenomena and defects in crystal growth processes

    Indian Academy of Sciences (India)

    S Pendurti; H Zhang; V Prasad

    2001-02-01

    A brief review of single crystal growth techniques and the associated problems is presented. Emphasis is placed on models for various transport and defect phenomena involoved in the growth process with the ultimate aim of integrating them into a comprehensive numerical model. The sources of dislocation nucleation in the growing crystal are discussed, and the propagation and multiplication of these under the action of thermal stresses is discussed. A brief description of a high-level numerical technique based on multiple adaptive grid generation and finite volume discretization is presented, followed by the result of a representative numerical simulation.

  6. Crystal Growth and Properties of Co2+ doped Y3Sc2Ga3O12 Single Crystal

    Institute of Scientific and Technical Information of China (English)

    Guo Shiyi; Yuan Duorong; Shi Xuzhong; Cheng Xiufeng; Zhang Xiqing; Yu Fapeng

    2007-01-01

    Single crystal of cobalt (Co)-doped Y3Sc2Ga3O12 (YSGG) with the dimensions up to φ20×40mm3 and undoped YSGG crystal with the dimensions up to φ28×60mm3 have been grown using the Czochralski technique. The structure of the crystal was characterized by the X-ray powder diffraction (XRPD) method. The absorbance spectra of the crystal shows that it has strong absorption bands at 606 and 1540nm. The results indicate that the crystal Y3Sc2Ga3O12 may be a kind of good Q-switch material.

  7. Growth and Characterization of Pure and Doped L-Alanine Tartrate Single Crystals

    Directory of Open Access Journals (Sweden)

    K. Rajesh

    2013-01-01

    Full Text Available Single crystals of pure and Lanthanum doped L-Alanine Tartrate were grown by slow evaporation method. The cell parameters were determined using single crystal X-ray diffraction method. To improve the physical properties of the LAT crystal, Lanthanum dopant was added by 2 mol%. ICP studies confirm the presence of Lanthanum in the grown LAT crystal. Transparency range of the crystal was determined using UV-VIS-NIR spectrophotometer. The functional groups of pure and doped LAT crystals were analyzed by FT-IR spectroscopy. Using Vickers microhardness tester, mechanical strength of the material was found. Dielectric studies of pure and doped LAT single crystals were carried out. The doped LAT crystal is found to have efficiency higher than that of pure LAT crystal.

  8. Modelling a singly resonant, intracavity ring optical parametric oscillator

    DEFF Research Database (Denmark)

    Buchhave, Preben; Tidemand-Lichtenberg, Peter; Wei, Hou;

    2003-01-01

    We study theoretically and experimentally the dynamics of a single-frequency, unidirectional ring laser with an intracavity nonlinear singly resonant OPO-crystal in a coupled resonator. We find for a range of operating conditions good agreement between model results and measurements of the laser ...

  9. A preliminary review of organic materials single crystal growth by the Czochralski technique

    Science.gov (United States)

    Penn, B. G.; Shields, A. W.; Frazier, D. O.

    1988-01-01

    The growth of single crystals of organic compounds by the Czochralski method is reviewed. From the literature it is found that single crystals of benzil, a nonlinear optical material with a d sub 11 value of 11.2 + or - 1.5 x d sub 11 value of alpha quartz, has fewer dislocations than generally contained in Bridgman crystals. More perfect crystals were grown by repeated Czochralski growth. This consists of etching away the defect-containing portion of a Czochralski grown crystal and using it as a seed for further growth. Other compounds used to grow single crystals are benzophenone, 12-tricosanone (laurone), and salol. The physical properties, growth apparatus, and processing conditions presented in the literature are discussed. Moreover, some of the possible advantages of growing single crystals of organic compounds in microgravity to obtain more perfect crystals than on Earth are reviewed.

  10. Self-focusing in chromium-doped potassium niobate single ceramic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Castillo T, J.; Gonzalez M, S.; Aguirre L, A.; Hernandez, M.B.; Aguilar M, J.A. [Instituto de Fisica y Matematicas, Universidad Tecnologica de la Mixteca, 69000, Huajuapan de Leon, Oaxaca (Mexico); Hernandez A, J. [lFUNAM, PO Box 20-364, 01000 Mexico, DF (Mexico)]. e-mail: jaimec@mixteco.utm.mx

    2006-07-01

    The self-focusing and nonlinear optical absorption in a chromium-doped potassium niobate single ceramic crystal have been investigated. The third-order electric susceptibility X{sup (3)} at continuous 532 nm radiation is estimated based on a band transport model describing photo refractive properties for this electro-optic material. An anisotropic behavior on its nonlinear optical absorption properties has also been observed due to the presence of chromium ions. (Author)

  11. Single Crystal DMs for Space-Based Observatories

    Science.gov (United States)

    Bierden, Paul

    We propose to demonstrate the feasibility of a new manufacturing process for large aperture, high-actuator count microelectromechanical deformable mirrors (MEMS-DMs). These DMs are designed to fill a critical technology gap in NASA s plan for high- contrast space-based exoplanet observatories. We will manufacture a prototype DM with a continuous mirror facesheet, having an active aperture of 50mm diameter, supported by 2040 electrostatic actuators (50 across the diameter of the active aperture), spaced at a pitch of 1mm. The DM will be manufactured using silicon microfabrication tools. The strategic motivation for the proposed project is to advance MEMS DMs as an enabling technology in NASA s rapidly emerging program for extrasolar planet exploration. That goal is supported by an Astro2010 white paper on Technologies for Direct Optical Imaging of Exoplanets, which concluded that DMs are a critical component for all proposed internal coronagraph instrument concepts. That white paper pointed to great strides made by DM developers in the past decade, and acknowledged the components made by Boston Micromachines Corporation to be the most notable MEMS-based technology option. The principal manufacturing innovation in this project will be assembly of the DM through fusion bonding of three separate single crystal silicon wafers comprising the device s substrate, actuator array, and facesheet. The most significant challenge of this project will be to develop processes that allow reliable fusion bonds between multiple compliant silicon layers while yielding an optically flat surface and a robust electromechanical system. The compliance of the DM, which is required for its electromechanical function, will make it challenging to achieve the intimate, planar contact that is generally needed for success in fusion bonding. The manufacturing approach will use photolithography and reactive ion etching to pattern structural layers. Three wafer-scale devices will be patterned and

  12. 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.

  13. Calculations of single crystal elastic constants for yttria partially stabilised zirconia from powder diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Lunt, A. J. G., E-mail: alexander.lunt@eng.ox.ac.uk; Xie, M. Y.; Baimpas, N.; Korsunsky, A. M. [Department of Engineering Science, University of Oxford, Parks Road, Oxford OX1 3PJ (United Kingdom); Zhang, S. Y.; Kabra, S.; Kelleher, J. [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Harwell, Oxford OX11 0QX (United Kingdom); Neo, T. K. [Specialist Dental Group, Mount Elizabeth Orchard, 3 Mount Elizabeth, #08-03/08-08/08-10, Singapore 228510 (Singapore)

    2014-08-07

    Yttria Stabilised Zirconia (YSZ) is a tough, phase-transforming ceramic that finds use in a wide range of commercial applications from dental prostheses to thermal barrier coatings. Micromechanical modelling of phase transformation can deliver reliable predictions in terms of the influence of temperature and stress. However, models must rely on the accurate knowledge of single crystal elastic stiffness constants. Some techniques for elastic stiffness determination are well-established. The most popular of these involve exploiting frequency shifts and phase velocities of acoustic waves. However, the application of these techniques to YSZ can be problematic due to the micro-twinning observed in larger crystals. Here, we propose an alternative approach based on selective elastic strain sampling (e.g., by diffraction) of grain ensembles sharing certain orientation, and the prediction of the same quantities by polycrystalline modelling, for example, the Reuss or Voigt average. The inverse problem arises consisting of adjusting the single crystal stiffness matrix to match the polycrystal predictions to observations. In the present model-matching study, we sought to determine the single crystal stiffness matrix of tetragonal YSZ using the results of time-of-flight neutron diffraction obtained from an in situ compression experiment and Finite Element modelling of the deformation of polycrystalline tetragonal YSZ. The best match between the model predictions and observations was obtained for the optimized stiffness values of C11 = 451, C33 = 302, C44 = 39, C66 = 82, C12 = 240, and C13 = 50 (units: GPa). Considering the significant amount of scatter in the published literature data, our result appears reasonably consistent.

  14. Spatially resolved observation of crystal-face-dependent catalysis by single turnover counting

    Science.gov (United States)

    Roeffaers, Maarten B. J.; Sels, Bert F.; Uji-I, Hiroshi; de Schryver, Frans C.; Jacobs, Pierre A.; de Vos, Dirk E.; Hofkens, Johan

    2006-02-01

    Catalytic processes on surfaces have long been studied by probing model reactions on single-crystal metal surfaces under high vacuum conditions. Yet the vast majority of industrial heterogeneous catalysis occurs at ambient or elevated pressures using complex materials with crystal faces, edges and defects differing in their catalytic activity. Clearly, if new or improved catalysts are to be rationally designed, we require quantitative correlations between surface features and catalytic activity-ideally obtained under realistic reaction conditions. Transmission electron microscopy and scanning tunnelling microscopy have allowed in situ characterization of catalyst surfaces with atomic resolution, but are limited by the need for low-pressure conditions and conductive surfaces, respectively. Sum frequency generation spectroscopy can identify vibrations of adsorbed reactants and products in both gaseous and condensed phases, but so far lacks sensitivity down to the single molecule level. Here we adapt real-time monitoring of the chemical transformation of individual organic molecules by fluorescence microscopy to monitor reactions catalysed by crystals of a layered double hydroxide immersed in reagent solution. By using a wide field microscope, we are able to map the spatial distribution of catalytic activity over the entire crystal by counting single turnover events. We find that ester hydrolysis proceeds on the lateral {1010} crystal faces, while transesterification occurs on the entire outer crystal surface. Because the method operates at ambient temperature and pressure and in a condensed phase, it can be applied to the growing number of liquid-phase industrial organic transformations to localize catalytic activity on and in inorganic solids. An exciting opportunity is the use of probe molecules with different size and functionality, which should provide insight into shape-selective or structure-sensitive catalysis and thus help with the rational design of new or

  15. Growth of ZnO Single Crystal by Chemical Vapor Transport Method

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    ZnO crystals were grown by CVT method in closed quartz tube under seeded condition. Carbon was used as a transport agent to enhance the chemical transport of ZnO in the growth process. ZnO single crystals were grown by using GaN/sapphire and GaN/Si wafer as seeds. The property and crystal quality of the ZnO single crystals was studied by photoluminescence spectroscopy and X-ray diffraction technique.

  16. Floating Zone Growth and Thermionic Emission Property of Single Crystal CeB6

    Institute of Scientific and Technical Information of China (English)

    BAO Li-Hong; ZHANG Jiu-Xing; ZHOU Shen-Lin; ZHANG Ning; XU Hong

    2011-01-01

    @@ Large-sized and high-quality cerium hexaboride(CeB6) single crystals are successfully grown yb the optical floating zone method.The structure, chemical composition and thermionic emission properties of the crystal are characterized by x-ray diffraction, x-ray fluorescence and emission measurements, respectively.Based on the observation of single crystal diffraction, the relative density of feed rods has a great effect on the quality of the grown crystal.The thermionic emission measurement results show that the emission current density of the single crystal is 47.1 A/cm2 at 1873K with an applied voltage of 1 kV,which is about two times larger than the value for polycrystalline samples.The single crystal possesses excellent emission current stability.Therefore, it is expected that CeBs single crystal is a very promising material for thermionic cathode applications.

  17. Twin nucleation and migration in FeCr single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Patriarca, L. [Politecnico di Milano, Department of Mechanical Engineering, Via La Masa 34, I-20156 Milano (Italy); Abuzaid, Wael [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, 1206 W. Green St., Urbana, IL 61801 (United States); Sehitoglu, Huseyin, E-mail: huseyin@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, 1206 W. Green St., Urbana, IL 61801 (United States); Maier, Hans J. [Lehrstuhl fuer Werkstoffkunde (Materials Science), University of Paderborn, 33095 Paderborn (Germany); Chumlyakov, Y. [Physics of Plasticity and Strength of Materials Laboratory, Siberian Physical and Technical Institute, 634050 Tomsk (Russian Federation)

    2013-01-15

    Tension and compression experiments were conducted on body-centered cubic Fe -47.8 at pct. Cr single crystals. The critical resolved shear stress (CRSS) magnitudes for slip nucleation, twin nucleation and twin migration were established. We show that the nucleation of slip occurs at a CRSS of about 88 MPa, while twinning nucleates at a CRSS of about 191 MPa with an associated load drop. Following twin nucleation, twin migration proceeds at a CRSS that is lower than the initiation stress ( Almost-Equal-To 114-153 MPa). The experimental results of the nucleation stresses indicate that the Schmid law holds to a first approximation for the slip and twin nucleation cases, but to a lesser extent for twin migration particularly when considerable slip strains preceded twinning. The CRSSs were determined experimentally using digital image correlation (DIC) in conjunction with electron back scattering diffraction (EBSD). The DIC measurements enabled pinpointing the precise stress on the stress-strain curves where twins or slip were activated. The crystal orientations were obtained using EBSD and used to determine the activated twin and slip systems through trace analysis. - Highlights: Black-Right-Pointing-Pointer Digital image correlation allows to capture slip/twin initiation for bcc FeCr. Black-Right-Pointing-Pointer Crystal orientations from EBSD allow slip/twin system indexing. Black-Right-Pointing-Pointer Nucleation of slip always precedes twinning. Black-Right-Pointing-Pointer Twin growth is sustained with a lower stress than required for nucleation. Black-Right-Pointing-Pointer Twin-slip interactions provide high hardening at the onset of plasticity.

  18. Eighth-order phase-field-crystal model for two-dimensional crystallization

    OpenAIRE

    Jaatinen, A.; Ala-Nissila, T.

    2010-01-01

    We present a derivation of the recently proposed eighth order phase field crystal model [Jaatinen et al., Phys. Rev. E 80, 031602 (2009)] for the crystallization of a solid from an undercooled melt. The model is used to study the planar growth of a two dimensional hexagonal crystal, and the results are compared against similar results from dynamical density functional theory of Marconi and Tarazona, as well as other phase field crystal models. We find that among the phase field crystal models...

  19. Growth of Bi-2212 single crystals by a horizontal Bridgman method using different oxygen pressure

    Energy Technology Data Exchange (ETDEWEB)

    Fujiwara, M.; Makino, T.; Nakabayashi, T. [Department of Electrical and Electronic Engineering, Tottori University, Koyama-Minami, Tottori 680-8552 (Japan); Tanaka, H. [Yonago National College of Technology, 4448 Hikona Yonago, Tottori 683-8502 (Japan); Kinoshita, K., E-mail: kinoshita@ele.tottori-u.ac.j [Department of Electrical and Electronic Engineering, Tottori University, Koyama-Minami, Tottori 680-8552 (Japan); Kishida, S. [Department of Electrical and Electronic Engineering, Tottori University, Koyama-Minami, Tottori 680-8552 (Japan)

    2009-10-15

    We compared the crystallinity of the Bi-2212 single crystals grown by the horizontal Bridgman (HB) method with those grown by the vertical Bridgman (VB) method in terms of resistivity, rho. It was clarified that crystals far inside the ingot grown by HB method showed the equivalent crystallinity to crystals grown by VB method, whereas crystals near the surface of the ingot grown by HB method showed the similar crystallinity to crystals grown by TSFZ method, which is sensitive to the growth atmosphere.

  20. Modelling heating effects in cryocooled protein crystals

    CERN Document Server

    Nicholson, J; Fayz, K; Fell, B; Garman, E

    2001-01-01

    With the application of intense X-ray beams from third generation synchrotron sources, damage to cryocooled macromolecular crystals is being observed more commonly . In order to fully utilize synchrotron facilities now available for studying biological crystals, it is essential to understand the processes involved in radiation damage and beam heating so that, if possible, action can be taken to slow the rate of damage. Finite Element Analysis (FEA) has been applied to model the heating effects of X-rays on cryocooled protein crystals, and to compare the relative cooling efficiencies of nitrogen and helium.

  1. Tb-Dy-Fe Single Crystal and Magnetostrictive Actuator Using These Materials

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Magnetostrictive actuators normally use twin-crystal magnetostrictive materials as driving unit. Because the crystal and twin-crystal plane hinder the movement of the domain wall, its displacement output of low magnetic strength is rather small. Using Tb-Dy-Fe single crystal technique can effectively solve the problems brought by pollution and twin crystals, and produce high-quality Tb-Dy-Fe single crystal materials. The paper will introduce the technique of using these materials to produce magnetostrictive actuators that possess high sensitivity and resolution and use pulse feeding.

  2. Growth and Characterization of Pure and Doped L-Alanine Tartrate Single Crystals

    OpenAIRE

    K. Rajesh; B. Milton Boaz; P. Praveen Kumar

    2013-01-01

    Single crystals of pure and Lanthanum doped L-Alanine Tartrate were grown by slow evaporation method. The cell parameters were determined using single crystal X-ray diffraction method. To improve the physical properties of the LAT crystal, Lanthanum dopant was added by 2 mol%. ICP studies confirm the presence of Lanthanum in the grown LAT crystal. Transparency range of the crystal was determined using UV-VIS-NIR spectrophotometer. The functional groups of pure and doped LAT crystals were a...

  3. Studies on synthesis, growth, structural, optical properties of organic 8-hydroxyquinolinium succinate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Thirumurugan, R., E-mail: singlecrystalxrd@gmail.com; Anitha, K., E-mail: singlecrystalxrd@gmail.com [School of Physics, Madurai Kamaraj University, Madurai-625021 (India)

    2014-04-24

    8-hydroxyquinolinium succinate (8HQSU), an organic material has been synthesized and single crystals were grown by employing the technique of slow evaporation. The structure of the grown crystal was elucidated by using single crystal X-ray diffraction analysis. 8HQSU crystal belongs to the monoclinic crystallographic system with non-centro symmetric space group of P2{sub 1}. FT-IR spectral investigation has been carried out to identify the various functional groups present in the grown crystal. UV–vis spectral studies reveal that 8HQSU crystals are transparent in the entire visible region and the cut-off wavelength has been found to be 220nm.

  4. Crystal Structure of a Model Spider Silk Peptide

    Science.gov (United States)

    Chen, Shujun; Gido, Samuel; Valluzzi, Regina; Kaplan, David

    2001-03-01

    Crystallization study on a novel model silk peptide has been carried out using optical microscopy, AFM, TEM and electron diffraction. The sequence of the peptide, (E)5(GDVGGAGATGGS)2(E)5, is based on the GXYGGZ motif in the less repetitive amorphous blocks of Nephila clavipes spider dragline silk. When the peptide was crystallized out of aqueous solution, spherulites as well as dendritic crystals on the order of several to tens of microns in diameter were observed under polarizing optical microscope, depending on drying speed, volume of the droplet and concentration. The same crystals were collected and sonicated in methanol, a non-solvent, to yield individual crystals that were later examined in the electron microscope. Regular-shaped lamellar crystals of micron size were observed in the TEM. The lamellar thickness as determined by Pt/Pd shadowing and AFM is 50 Å. Selected area electron diffraction showed single crystal diffraction patterns indicating a possible orthorhombic unit cell of 9.91 x 5.57 x 20.40 Å.

  5. Scintillation properties of CsI:In single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Gridin, S., E-mail: gridin.sergey@gmail.com [Institute for Scintillation Materials, 61001 Kharkov (Ukraine); Institut Lumière Matière, Lyon, 69622 Villeurbanne Cedex (France); Belsky, A. [Institut Lumière Matière, Lyon, 69622 Villeurbanne Cedex (France); Moszynski, M.; Syntfeld-Kazuch, A. [National Centre for Nuclear Research, Soltana 7, 05-400 Otwock-Swierk (Poland); Shiran, N.; Gektin, A. [Institute for Scintillation Materials, 61001 Kharkov (Ukraine)

    2014-10-11

    Scintillation properties of CsI:In single crystals have been investigated. Scintillation yield of CsI:In measured with the 24 μs integration time is around 27,000 ph/MeV, reaching the saturation at 0.005 mol% of the activator. However, luminescence yield of CsI:In is close to CsI:Tl scintillation crystals, which is around 60,000 ph/MeV. This difference is explained by the presence of an ultra-long afterglow in CsI:In scintillation pulse. Thermoluminescence studies revealed a stable trap around 240 K that is supposed to be related to millisecond decay components. The best measured energy resolution of (8.5±0.3)% was achieved at 24 μs peaking time for a CsI sample doped with 0.01 mol% of In. Temperature stability of CsI:In radioluminescence intensity was found to be remarkably high. Its X-ray luminescence yield remains stable up to 600 K, whereafter thermal quenching occurs. The latter property gives CsI:In a potential to be used in well logging applications.

  6. 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.

  7. The growth of Nd:CaWO4 single crystals

    Directory of Open Access Journals (Sweden)

    ALEKSANDAR GOLUBOVIC

    2003-12-01

    Full Text Available CaWO4 doped with 0.8 % at. Nd (Nd:CaWO4 single crystals were grown from the melt in air by the Czochralski technique. The critical diameter dc = 1.0 cm and the critical rate of rotation wc = 30 rpm were calculated from hydrodynamic equations for buoyancy-driven and forced convection. The rate of crystal growth was experimentally obtained to be 6.7 mm/h. For chemical polishing, a solution of 1 part saturated chromic acid (CrO3 in water and 3 parts conc. H3PO4 (85 % at 433 K with an exposure time of 2 h was found to be adequate. A mixture of 1 part concentrated HF and 2 parts chromic acid at room temperature after exposure for 30 min was found to be a suitable etching solution. The lattice parameters a = 0.52404 (6 nm, c = 1.1362 (6 nm and V0 = 0.312 (2 nm3 were determined by X-ray powder diffraction. The obtained results are discussed and compared with published data.

  8. Characterization of CuInSe{sub 2} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Shaban, H.T. [Physics Department, Faculty of Science, South Valley University, Qena (Egypt)]. E-mail: htsh2@yahoo.com; Mobarak, M. [Physics Department, Faculty of Science, South Valley University, Qena (Egypt); Nassary, M.M. [Physics Department, Faculty of Science, South Valley University, Qena (Egypt)

    2007-02-15

    High quality CuInSe{sub 2} (CIS) single crystals grown by the vertical Bridgman method. The electrical conductivity, Hall coefficient and thermoelectric power were measured as a function of temperature. The energy gap was found 1.04eV. The crystals were characterized structurally by X-ray diffraction and compositionally by microprobe analyses. Throughout joining the electrical with thermoelectric power measurements many physical parameters were estimated. The effective mass of holes m{sub p}* and electrons m{sub n}* were determined at room temperature and found to be 1.66x10{sup -30} and 8.6x10{sup -36}kg, respectively. Also, at the same temperature the mobility was found to be 956cm{sup 2}/Vs. The hole and electron diffusion coefficients were found to be 23.9 and 35.85cm{sup 2}/s. The relaxation times for holes and electrons were calculated and yielded the values 9.9x10{sup -13} and 7.7x10{sup -18}s, respectively. The diffusion length for holes and electrons was obtained as L{sub p}=4.86x10{sup -6}cm and L{sub n}=16.61x10{sup -9}cm.

  9. Radionuclide annular single crystal scintillator camera with rotating collimator

    Energy Technology Data Exchange (ETDEWEB)

    Genna, S.; Pang, S.-C.

    1986-04-22

    A radionuclide emission tomography camera is described for sensing gamma ray emissions from a source within the field of view consisting of: a fixed, position-sensitive detector means, responsive to the gamma ray emissions and surrounding the field of view for detecting the contact position and the trajectory from which a gamma ray emission originates, the fixed, position-sensitive detector including a single continuous stationary scintillation crystal; rotatable collimator means, disposed between the fixed, position-sensitive detecto means and the field of view, and including at least one array of collimator elements, for restricting and collimating the gamma ray emissions; and means for rotating the collimator means relative to the fixed, position-sensitive detector, for exposing different sections of the position-sensitive detector to the gamma ray emissions in order to view the source from different angles.

  10. Optical studies of neutron-irradiated lithium hydride single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Oparin, D.V.; Pilipenko, G.I.; Tyutyunnik, O.I.; Gavrilov, F.F.; Sulimov, E.M. (Ural' skij Politekhnicheskij Inst., Sverdlovsk (USSR))

    1984-09-01

    Lithium hydride single crystals irradiated with neutrons were studied by the optical method. Wide bands belonging to the large F-aggregate and quasimetallic F-centres and to the metallic lithium colloids were discovered in the absorption spectra at room temperature. The small Fsub(n)-centres and molecular lithium centres were detected at 77 K. From the electron-vibrational structure of the absorption spectra of these centres the energies of acoustic phonons in X, W, L points of the Brillouin zone of lithium hydride have been found out: TA(L)-235 cm/sup -1/, TA(X)-27g cm/sup -1/, TA(W)-327 cm/sup -1/, LA(W)-384 cm/sup -1/, LA(X)-426 cm/sup -1/.

  11. 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.

  12. InPBi single crystals grown by molecular beam epitaxy.

    Science.gov (United States)

    Wang, K; Gu, Y; Zhou, H F; Zhang, L Y; Kang, C Z; Wu, M J; Pan, W W; Lu, P F; Gong, Q; Wang, S M

    2014-06-26

    InPBi was predicted to be the most robust infrared optoelectronic material but also the most difficult to synthesize within In-VBi (V = P, As and Sb) 25 years ago. We report the first successful growth of InPBi single crystals with Bi concentration far beyond the doping level by gas source molecular beam epitaxy. The InPBi thin films reveal excellent surface, structural and optical qualities making it a promising new III-V compound family member for heterostructures. The Bi concentration is found to be 2.4 ± 0.4% with 94 ± 5% Bi atoms at substitutional sites. Optical absorption indicates a band gap of 1.23 eV at room temperature while photoluminescence shows unexpectedly strong and broad light emission at 1.4-2.7 μm which can't be explained by the existing theory.

  13. Photoinduced surface voltage mapping study for large perovskite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaojing; Liu, Yucheng; Gao, Fei; Yang, Zhou [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Liu, Shengzhong, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Dalian Institute of Chemical Physics, iChEM, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

    2016-05-02

    Using a series of illumination sources, including white light (tungsten-halogen lamp), 445-nm, 532-nm, 635-nm, and 730-nm lasers, the surface photovoltage (SPV) images were mapped for centimeter-sized CH{sub 3}NH{sub 3}PbX{sub 3} (X = Cl, Br, I) perovskite single crystals using Kelvin probe force microscopy. The significant SPV signals were observed to be wavelength-dependent. We attribute the appreciable SPV to the built-in electric field in the space charge region. This study shines light into the understanding of photoinduced charge generation and separation processes at nanoscale to help advance the development of perovskite solar cells, optoelectronics, laser, photodetector, and light-emitting diode (LED).

  14. Thermal conductivity of single crystal and ceramic AlN

    Science.gov (United States)

    AlShaikhi, A.; Srivastava, G. P.

    2008-04-01

    We have applied the Callaway theory and used a detailed account of three-phonon scattering processes to calculate the thermal conductivity of three AlN single crystal samples containing different amounts of oxygen and two AlN ceramic samples with different grain sizes and oxygen contamination levels. The N-drift contribution to the total conductivity has been quantified. The influence on the thermal conductivity of oxygen-related defects, and grain boundaries in ceramic samples, has been investigated. The theoretical results obtained from this work are in good agreement with available experimental data. Our calculations suggest that the "effective" boundary length is greater than the reported grain size for each of the two ceramic samples studied by Watari et al. [J. Mater. Res. 17, 2940 (2002)].

  15. Low temperature properties of pnictide CrAs single crystal

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    High quality single crystal CrAs was grown by Sn flux method.The results of magnetic susceptibility and electrical resistivity are reported in a temperature range of 2 to 800 K.At low temperatures,a T2 dependence of resistivity is observed showing a Fermi-liquid behavior.The Kadowaki-Woods ratio is found to be 1×10-5 μΩ cm mol2 K2 mJ-2,which fits well to the universal value for many correlated electron systems.At about 270 K,a clear magnetic transition is observed with sharp changes of resistivity and susceptibility.Above 270 K,a linear-temperature dependence of the magnetic susceptibility is observed up to 700 K,which resembles the T-dependent magnetic susceptibility of parents of iron-pnictides superconductors.

  16. 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.

  17. Hard x-ray single crystal bi-mirror.

    Science.gov (United States)

    Lyubomirskiy, M; Snigireva, I; Kuznetsov, S; Yunkin, V; Snigirev, A

    2015-05-15

    We report a novel hard x-ray interferometer consisting of two parallel channels manufactured in a single Si crystal by means of microfabrication technology. The sidewall surfaces of the channels, similar to mirrors, scatter at very small incident angles, acting equivalently to narrow micrometer size slits as in the Young double-slit interferometer. Experimental tests of the interferometer were performed at the ESRF ID06 beamline in the energy range from 12 to 16 keV. The interference patterns at different grazing incidence angles were recorded in the near- and far-field. Evaluation of the influence of the channel surface roughness on the visibility of interference fringes was performed. The proposed interferometer design allows the arrangement of mirrors at different split distances.

  18. Photoinduced surface voltage mapping study for large perovskite single crystals

    Science.gov (United States)

    Liu, Xiaojing; Liu, Yucheng; Gao, Fei; Yang, Zhou; Liu, Shengzhong Frank

    2016-05-01

    Using a series of illumination sources, including white light (tungsten-halogen lamp), 445-nm, 532-nm, 635-nm, and 730-nm lasers, the surface photovoltage (SPV) images were mapped for centimeter-sized CH3NH3PbX3 (X = Cl, Br, I) perovskite single crystals using Kelvin probe force microscopy. The significant SPV signals were observed to be wavelength-dependent. We attribute the appreciable SPV to the built-in electric field in the space charge region. This study shines light into the understanding of photoinduced charge generation and separation processes at nanoscale to help advance the development of perovskite solar cells, optoelectronics, laser, photodetector, and light-emitting diode (LED).

  19. Spin injection effect in thin Bi2212 single crystal

    Science.gov (United States)

    Murata, Kenichiro; Otaka, Kazuto; Yamaki, Kazuhiro; Irie, Akinobu

    2017-07-01

    The influence of spin-injection on the in-plane transport properties of thin Bi2Sr2CaCu2Oy (BSCCO) single crystal has been investigated. The in-plane transport measurements without and with spin injection were carried out at 77 K by four terminal method. The in-plane critical current was strongly reduced by injecting the current from Co/Au electrodes formed on the BSCCO bridge with 50 mm wide and 450 nm thick. Furthermore, it was observed that magnetic field dependence of the magnetoresistance shows a hysteresis loop. These results indicate that the in-plane superconductive transport property is affected by the spin-injection related to the magnetization of Co.

  20. Platinum single crystal electrodes for the electrocatalysis of methane oxidation

    Directory of Open Access Journals (Sweden)

    Mayara Munaretto

    2011-03-01

    Full Text Available The main objective of this paper is to characterize the voltammetric profiles of platinum single crystals of low Miller indexes Pt(100 and Pt(110 and study their catalytic activities on the oxidation of methane. In this way, it was developed a metallic surface modified by presence of other metal oxide, which presents catalytic activity for this reaction. It is well known that the electrooxidation of methane (CH4 leads mainly to the formation of CO2 and H2O, however, the oxidation can also lead to the formation of CO, a reaction intermediate that has strong interaction with metal surfaces, such as platinum. This molecule tends to accumulate on the platinum surface and to passive it, due to the self-poisoning, decreasing its catalytic activity. Therefore, the main aim of this work was the development of a platinum electrode modified by deposition of titanium oxide, which presented electrocatalytic properties for the oxidation of methane.

  1. Analysis of ripple formation in single crystal spot welds

    Science.gov (United States)

    Rappaz, M.; Corrigan, D.; Boatner, L. A.

    1997-01-01

    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 micrometers and spacing, typically approximately 60 micrometers) 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.

  2. 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.

  3. Process development for single-crystal silicon solar cells

    Science.gov (United States)

    Bohra, Mihir H.

    Solar energy is a viable, rapidly growing and an important renewable alternative to other sources of energy generation because of its abundant supply and low manufacturing cost. Silicon still remains the major contributor for manufacturing solar cells accounting for 80% of the market share. Of this, single-crystal solar cells account for half of the share. Laboratory cells have demonstrated 25% efficiency; however, commercial cells have efficiencies of 16% - 20% resulting from a focus on implementation processes geared to rapid throughput and low cost, thereby reducing the energy pay-back time. An example would be the use of metal pastes which dissolve the dielectric during the firing process as opposed to lithographically defined contacts. With current trends of single-crystal silicon photovoltaic (PV) module prices down to 0.60/W, almost all other PV technologies are challenged to remain cost competitive. This presents a unique opportunity in revisiting the PV cell fabrication process and incorporating moderately more expensive IC process practices into PV manufacturing. While they may drive the cost toward a 1/W benchmark, there is substantial room to "experiment", leading to higher efficiencies which will help maintain the overall system cost. This work entails a turn-key process designed to provide a platform for rapid evaluation of novel materials and processes. A two-step lithographic process yielding a baseline 11% - 13% efficient cell is described. Results of three studies have shown improvements in solar cell output parameters due to the inclusion of a back-surface field implant, a higher emitter doping and also an additional RCA Clean.

  4. Rhombohedral cubic semiconductor materials on trigonal substrate with single crystal properties and devices based on such materials

    Science.gov (United States)

    Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor); King, Glen C. (Inventor); Elliott, James R. (Inventor)

    2012-01-01

    Growth conditions are developed, based on a temperature-dependent alignment model, to enable formation of cubic group IV, group II-V and group II-VI crystals in the [111] orientation on the basal (0001) plane of trigonal crystal substrates, controlled such that the volume percentage of primary twin crystal is reduced from about 40% to about 0.3%, compared to the majority single crystal. The control of stacking faults in this and other embodiments can yield single crystalline semiconductors based on these materials that are substantially without defects, or improved thermoelectric materials with twinned crystals for phonon scattering while maintaining electrical integrity. These methods can selectively yield a cubic-on-trigonal epitaxial semiconductor material in which the cubic layer is substantially either directly aligned, or 60 degrees-rotated from, the underlying trigonal material.

  5. Method for the preparation of inorganic single crystal and polycrystalline electronic materials

    Science.gov (United States)

    Groves, W. O. (Inventor)

    1969-01-01

    Large area, semiconductor crystals selected from group 3-5 compounds and alloys are provided for semiconductor device fabrication by the use of a selective etching operation which completely removes the substrate on which the desired crystal was deposited. The substrate, selected from the same group as the single crystal, has a higher solution rate than the epitaxial single crystal which is essentially unaffected by the etching solution. The preparation of gallium phosphide single crystals using a gallium arsenide substrate and a concentrated nitric acid etching solution is described.

  6. Shock response of single crystal and nanocrystalline pentaerythritol tetranitrate: Implications to hotspot formation in energetic materials.

    Science.gov (United States)

    Cai, Y; Zhao, F P; An, Q; Wu, H A; Goddard, W A; Luo, S N

    2013-10-28

    We investigate shock response of single crystal and nanocrystalline pentaerythritol tetranitrate (PETN) with a coarse-grained model and molecular dynamics simulations, as regards mechanical hotspot formation in the absence or presence of grain boundaries (GBs). Single crystals with different orientations, and columnar nanocrystalline PETN with regular hexagonal, irregular hexagonal, and random GB patterns, are subjected to shock loading at different shock strengths. In single crystals, shock-induced plasticity is consistent with resolved shear stress calculations and the steric hindrance model, and this deformation leads to local heating. For regular-shaped hexagonal columnar nanocrystalline PETN, different misorientation angles lead to activation of different/same slip systems, different deformation in individual grains and as a whole, different GB friction, different temperature distributions, and then, different hotspot characteristics. Compared to their regular-shaped hexagonal counterpart, nanocrystalline PETN with irregular hexagonal GB pattern and that with random GBs, show deformation and hotspot features specific to their GBs. Driven by stress concentration, hotspot formation is directly related to GB friction and GB-initiated crystal plasticity, and the exact deformation is dictated by grain orientations and resolved shear stresses. GB friction alone can induce hotspots, but the hotspot temperature can be enhanced if it is coupled with GB-initiated crystal plasticity, and the slip of GB atoms has components out of the GB plane. The magnitude of shearing can correlate well with temperature, but the slip direction of GB atoms relative to GBs may play a critical role. Wave propagation through varying microstructure may also induce differences in stress states (e.g., stress concentrations) and loading rates, and thus, local temperature rise. GB-related friction and plasticity induce local heating or mechanical hotspots, which could be precursors to chemical

  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. Growth of optical-quality anthracene crystals doped with dibenzoterrylene for controlled single photon production

    Energy Technology Data Exchange (ETDEWEB)

    Major, Kyle D., E-mail: kyle.major11@imperial.ac.uk; Lien, Yu-Hung; Polisseni, Claudio; Grandi, Samuele; Kho, Kiang Wei; Clark, Alex S.; Hwang, J.; Hinds, E. A., E-mail: ed.hinds@imperial.ac.uk [Centre for Cold Matter, Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom)

    2015-08-15

    Dibenzoterrylene (DBT) molecules within a crystalline anthracene matrix show promise as quantum emitters for controlled, single photon production. We present the design and construction of a chamber in which we reproducibly grow doped anthracene crystals of optical quality that are several mm across and a few μm thick. We demonstrate control of the DBT concentration over the range 6–300 parts per trillion and show that these DBT molecules are stable single-photon emitters. We interpret our data with a simple model that provides some information on the vapour pressure of DBT.

  9. Digital microfluidic high-throughput printing of single metal-organic framework crystals.

    Science.gov (United States)

    Witters, Daan; Vergauwe, Nicolas; Ameloot, Rob; Vermeir, Steven; De Vos, Dirk; Puers, Robert; Sels, Bert; Lammertyn, Jeroen

    2012-03-08

    The first microfluidic method for accurately depositing monodisperse single MOF crystals is presented, enabling unprecedented high-throughput, yet flexible single-crystal printing. Individual droplets of MOF precursor solutions are actuated over a matrix of hydrophilic-in-hydrophobic micropatterns for the controlled generation of femtoliter droplets. As such, thousands of monodisperse single MOF crystals are printed per second in a desired pattern, without the use of impractically expensive equipment.

  10. The Strength of PIN-PMN-PT Single Crystals under Bending with a Longitudinal Electric Field

    Science.gov (United States)

    2011-04-06

    The strength of PIN– PMN – PT single crystals under bending with a longitudinal electric field This article has been downloaded from IOPscience. Please...COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE The Strength Of PIN- PMN - PT Single Crystals Under Bending With A Longitudinal Electric Field... PMN ? PT ) single crystals was measured using a four point bending apparatus with a longitudinal electric field applied to the bar during bending. The

  11. Quasiparticle density of states of 2H-NbSe2 single crystals revealed by low-temperature specific heat measurements according to a two-component model

    Institute of Scientific and Technical Information of China (English)

    Yan Jing; Shan Lei; Wang Yue; Xiao Zhi-Li; Wen Hai-Hu

    2008-01-01

    Low-temperature specific heat in a dichalcogenide superconductor 2H-NbSe2 is measured in various magnetic fields. It is found that the specific heat can be described very well by a simple model concerning two components corresponding to vortex normal core and ambient superconducting region, separately. For calculating the specific heat outside the vortex core region, we use the Bardeen-Cooper-Schrieffer (BCS) formalism under the assumption of a narrow distribution of the superconducting gaps. The field-dependent vortex core size in the mixed state of 2H-NbSe2, determined by using this model, can explain the nonlinear field dependence of specific heat coefficient γ(H), which is in good agreement with the previous experimental results and more formal calculations. With the high-temperature specific heat data, we can find that, in the multi-band superconductor 2H-NbSe2, the recovered density of states (or Fermi surface) below Tc under a magnetic field seems not to be gapped again by the charge density wave (CDW) gap, which suggests that the superconducting gap and the CDW gap may open on different Fermi surface sheets.

  12. Mean-field models for disordered crystals

    CERN Document Server

    Cancès, Eric; Lewin, Mathieu

    2012-01-01

    In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum particles and the nuclei are classical point-like articles whose positions and charges are random. We prove the existence of a minimizer of the energy per unit volume and the uniqueness of the ground state density of such disordered crystals, for the reduced Hartree-Fock model (rHF). We consider both (short-range) Yukawa and (long-range) Coulomb interactions. In the former case, we prove in addition that the rHF ground state density matrix satisfies a self-consistent equation, and that our model for disordered crystals is the thermodynamic limit of the supercell model.

  13. Synthesis, Crystal Growth and Characterization of bis Dl-Valine Picrate Single Crystal for Second-Order Nonlinear Optical Applications

    Science.gov (United States)

    Silambarasan, A.; Krishna Kumar, M.; Sudhahar, S.; Thirunavukkarasu, A.; Mohan Kumar, R.; Umarani, P. R.

    2013-08-01

    An organic compound Bis DL-Valine picrate (BDLVP) was synthesized successfully and single crystal was grown by slow evaporation solution growth method. The presence of functional groups in the compound was identified by FTIR spectral analysis. Single crystal X-ray diffraction study revealed that the grown crystal belongs to P21/n space group of monoclinic crystal system. Powder X-ray diffraction pattern was recorded to know the crystalline perfection of the grown crystal. The reaction mechanism, thermal decomposition stages and thermal stability of the grown crystal were studied by using TG/DTA analysis. From the UV-visible spectral study, the electronic band gap energy (Eg) of the grown crystal was found to be 2.43 eV. The second harmonic generation (SHG) efficiency of grown crystal was found to be 1.3 times higher than KDP crystal by using Kurtz powder SHG technique. The microhardness property of the grown crystal was examined by Vicker's microhardness test.

  14. Cubic Single Crystal Representations in Classical and Size-dependent Couple Stress Elasticity

    CERN Document Server

    Bansal, Dipanshu; Aref, Amjad J; Hadjesfandiari, Ali R

    2015-01-01

    Beginning with Cosserat theory in the early 20th century, there have been several different formulations for size-dependent elastic response. In this paper, we concentrate on the application of classical Cauchy theory and the recent parsimonious consistent couple stress theory to model a homogeneous linear elastic solid, exemplified by a pure single crystal with cubic structure. The focus is on an examination of elastodynamic response based upon wave velocities from ultrasonic excitation and phonon dispersion curves, along with adiabatic bulk moduli measurements. In particular, we consider in detail elastic parameter estimation within classical elasticity and consistent couple stress theory for four different cubic single crystals (NaCl, KCl, Cu, CuZn). The classical theory requires the estimation of three independent material parameters, while only one additional parameter relating skew-symmetric mean curvature to skew-symmetric couple-stress is needed for the size-dependent consistent couple stress theory. ...

  15. Magnetization and electric transport properties of single-crystal MgB2 nanowires.

    Science.gov (United States)

    Wu, Cen-Shawn; Chang, Yu-Cheng; Chen, Weimeng; Chen, Chinping; Feng, Qingrong

    2012-11-23

    High quality single-crystal magnesium diboride (MgB(2)) nanowires with lengths exceeding 10 μm were successfully synthesized by hybrid physical chemical vapor deposition. The magnetization and electrical transport properties of single-crystal MgB(2) nanowires (NWs) were measured. The superconducting transition temperature of the NWs was 37 K, as confirmed by magnetization measurements. The disordered behavior of the nanowires was observed by four-terminal current-voltage characteristic measurements of an individual NW from T = 10 to 300 K. The temperature-dependent resistivity curves for seven NWs collapsed into a universal curve described by the variable range hopping model, showing intrinsic nonmetallic transport properties. This implies that the granular superconducting defect states are critical to the superconductivity of the individual MgB(2) NWs.

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

    Directory of Open Access Journals (Sweden)

    Panwisawas Chinnapat

    2014-01-01

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

  17. A Coupled Thermal, Fluid Flow, and Solidification Model for the Processing of Single-Crystal Alloy CMSX-4 Through Scanning Laser Epitaxy for Turbine Engine Hot-Section Component Repair (Part I)

    Science.gov (United States)

    Acharya, Ranadip; Bansal, Rohan; Gambone, Justin J.; Das, Suman

    2014-12-01

    Scanning laser epitaxy (SLE) is a new laser-based additive manufacturing technology under development at the Georgia Institute of Technology. SLE is aimed at the creation of equiaxed, directionally solidified, and single-crystal deposits of nickel-based superalloys through the melting of alloy powders onto superalloy substrates using a fast scanning Nd:YAG laser beam. The fast galvanometer control movement of the laser (0.2 to 2 m/s) and high-resolution raster scanning (20 to 200 µm line spacing) enables superior thermal control over the solidification process and allows the production of porosity-free, crack-free deposits of more than 1000 µm thickness. Here, we present a combined thermal and fluid flow model of the SLE process applied to alloy CMSX-4 with temperature-dependent thermo-physical properties. With the scanning beam described as a moving line source, the instantaneous melt pool assumes a convex hull shape with distinct leading edge and trailing edge characteristics. Temperature gradients at the leading and trailing edges are of order 2 × 105 and 104 K/m, respectively. Detailed flow analysis provides insights on the flow characteristics of the powder incorporating into the melt pool, showing velocities of order 1 × 10-4 m/s. The Marangoni effect drives this velocity from 10 to 15 times higher depending on the operating parameters. Prediction of the solidification microstructure is based on conditions at the trailing edge of the melt pool. Time tracking of solidification history is incorporated into the model to couple the microstructure prediction model to the thermal-fluid flow model, and to predict the probability of the columnar-to-equiaxed transition. Qualitative agreement is obtained between simulation and experimental result.

  18. Advanced Electroactive Single Crystal and Polymer Actuator Concepts for Passive Optics Project

    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)...

  19. Cryogenic Clamp-on Ultrasonic Flowmeters using Single Crystal Piezoelectric Transducers Project

    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...

  20. Single-walled Carbon Nanotubes Regularly Aligned in Channels of Zeolite Single Crystal

    Institute of Scientific and Technical Information of China (English)

    Zi Kang Tang; Handong Sun; Jiannong Wang

    2000-01-01

    @@ We report the synthesis of single-wall carbon nanotubes (SWCNs) formed in 1-nm-sized channels of zeolite crystal by pyrolysis of tripropylamine molecules. The SWCNs are mono-sized and parallelly aligned along the crystal direction. In the present paper, we report the polarized Raman spectra measured for the wellaligned SWCNs, which gives us information about structural symmetry. Electrical transport properties of the SWNTs are measured in the temperature range of 0.3 K ~ 300 K. The conductivity of the SWCNs is monotonically decreased with decreasing temperature. The observed temperature dependence of zero-field conductance, In(σ) ~ 1/√T, could be explained well in terms of electron localization caused by imperfections and impurities in the nanotubes.

  1. Single crystal nuclear magnetic resonance in spinning powders

    Science.gov (United States)

    Pell, Andrew J.; Pintacuda, Guido; Emsley, Lyndon

    2011-10-01

    We present a method for selectively exciting nuclear magnetic resonances (NMRs) from well-defined subsets of crystallites from a powdered sample under magic angle spinning. Magic angle spinning induces a time dependence in the anisotropic interactions, which results in a time variation of the resonance frequencies which is different for different crystallite orientations. The proposed method exploits this by applying selective pulses, which we refer to as XS (for crystallite-selective) pulses, that follow the resonance frequencies of nuclear species within particular crystallites, resulting in the induced flip angle being orientation dependent. By selecting the radiofrequency field to deliver a 180 ○ pulse for the target orientation and employing a train of such pulses combined with cogwheel phase cycling, we obtain a high degree of orientational selectivity with the resulting spectrum containing only contributions from orientations close to the target. Typically, this leads to the selection of between 0.1% and 10% of the crystallites, and in extreme cases to the excitation of a single orientation resulting in single crystal spectra of spinning powders. Two formulations of this method are described and demonstrated with experimental examples on [1 - 13C]-alanine and the paramagnetic compound Sm2Sn2O7.

  2. Enhanced Catalysis Activity in a Coordinatively Unsaturated Cobalt-MOF Generated via Single-Crystal-to-Single-Crystal Dehydration.

    Science.gov (United States)

    Ren, Hai-Yun; Yao, Ru-Xin; Zhang, Xian-Ming

    2015-07-06

    Hydrothermal reaction of Co(NO3)2 and terphenyl-3,2",5",3'-tetracarboxyate (H4tpta) generated Co3(OH)2 chains based 3D coordination framework Co3(OH)2(tpta)(H2O)4 (1) that suffered from single-crystal-to-single-crystal dehydration by heating at 160 °C and was transformed into dehydrated Co3(OH)2(tpta) (1a). During the dehydration course, the local coordination environment of part of the Co atoms was transformed from saturated octahedron to coordinatively unsaturated tetrahedron. Heterogenous catalytic experiments on allylic oxidation of cyclohexene show that dehydrated 1a has 6 times enhanced catalytic activity than as-synthesized 1 by using tert-butyl hydroperoxide (t-BuOOH) as oxidant. The activation energy for the oxidation of cylcohexene with 1a catalyst was 67.3 kJ/mol, far below the value with 1 catalysts, which clearly suggested that coordinatively unsaturated Co(II) sites in 1a have played a significant role in decreasing the activation energy. It is interestingly found that heterogeneous catalytic oxidation of cyclohexene in 1a not only gives the higher conversion of 73.6% but also shows very high selectivity toward 2-cyclohexene-1-one (ca. 64.9%), as evidenced in high turnover numbers (ca. 161) based on the open Co(II) sites of 1a catalyst. Further experiments with a radical trap indicate a radical chain mechanism. This work demonstrates that creativity of coordinatively unsaturated metal sites in MOFs could significantly enhance heterogeneous catalytic activity and selectivity.

  3. Size of Defect Clusters in Lithium Niobate Single Crystals

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    On the basis of the Li-site vacancy model, the non-stoichiometric defects in LN crystals, i.e., anti-site defects NbLi and corresponding lithium vacancy defects VLi, were investigated by the bond valence model. According to the valence sum rule, 4 VLi sites must emerge in the nearest lattices of NbLi, and thus form a neutral cluster with the center, NbLi(VLi)4Nb5O15. The bond graph of the defect cluster was given, which reveals the ideal chemical bonding characteristics of defect clusters. Combining the possible configuration of defect clusters and the ideal bond lengths in the bond graph, the size of defect clusters in the LN crystallographic frame is estimated as 0.9~1.2 nm in diameter.

  4. The Dynamic Behaviors of Single Crystal RDX Under Ramp Wave Loading to 15GPa

    Science.gov (United States)

    Wang, Guiji; Cai, Jintao; Zhao, Jianheng; Zhao, Feng; Wu, Gang; Tan, Fuli; Sun, Chengwei

    Based on high pulsed power generator CQ-4, the single crystal RDX explosive was researched along different crystal orientations under ramp wave loadings up to 15 GPa. The typical three-wave structures were obtained by means of laser interferometry PDV, which show the elastic-plastic transition and α to γ phase transition. The ramp elastic limit (REL) and yield strength of RDX along 210 and 100 crystal orientations were respectively calculated and the resuts show obvious effects of crystal orientaions for RDX. The ramp elastic limit σIEL of RDX along 210 orientation is 0.688-0.758GPa, and the σIEL of RDX along 100 is 1.039 -1.110 GPa. The α to γ phase transformation characteristics were also analyzed based on the experimental data. The initial phase transition pressure for the two crystal orientation of RDX are about 3.5 to 4 GPa, which agree well with the data of about 4-5GPa given by MD simulation. The data directly validate the results given by Raman Spectrum under shock compression and static high pressure, which couldn't be observed by wave profiles. The experimental data can be used to verify and validate the new models of RDX under dynamic loading. Supported by NSFC of China under Contract No.11327803 and 11176002

  5. Active Gold-Ceria and Gold-Ceria/titania Catalysts for CO Oxidation. From Single-Crystal Model Catalysts to Powder Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, Jose A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Si, Rui [Brookhaven National Lab. (BNL), Upton, NY (United States); Evans, Jaime [Central Univ. of Venezuela, Caracas (Venezuela); Xu, Wenqian [Brookhaven National Lab. (BNL), Upton, NY (United States); Hanson, Jonathan C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tao, Jing [Brookhaven National Lab. (BNL), Upton, NY (United States); Zhu, Yimei [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-07-23

    We studied CO oxidation on model and powder catalysts of Au-CeO2 and Au-CeOx/TiO2. Phenomena observed in Au-CeO2(1 1 1) and Au-CeO2/TiO2(1 1 0) provided useful concepts for designing and preparing highly active and stable Au-CeOx/TiO2 powder catalysts for CO oxidation. Small particles of Au dispersed on CeO2(1 1 1) displayed high catalytic activity, making Au-CeO2(1 1 1) a better CO oxidation catalyst than Au-TiO2(1 1 0) or Au-MgO(1 0 0). An excellent support for gold was found after depositing nanoparticles of ceria on TiO2(1 1 0). The CeOx nanoparticles act as nucleation centers for gold, improving dispersion of the supported metal and helping in the creation of reaction sites efficient for the adsorption of CO and the dissociation of the O2 molecule. High-surface area catalysts were prepared by depositing gold on ceria nanorods and CeOx/TiO2 powders. The samples were tested for the low-temperature (10–70 °C) oxygen-rich (1%CO/4%O2/He) CO oxidation reaction after pre-oxidation (20%O2/He, 300 °C) and pre-reduction (5%H2/He, 300 °C) treatments. Moreover, synchrotron-based operando X-ray diffraction (XRD) and X-ray absorption (XAS) spectroscopy were used to study the Au-CeO2 and Au-CeOx/TiO2 catalysts under reaction conditions. Our operando findings indicate that the most active phase of these catalysts for low-temperature CO oxidation consist of small particles of metallic Au dispersed on CeO2 or CeOx/TiO2.

  6. Crystal Growth and Characterization of Ca3NbGa3Si2O14 Single Crystal

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Single crystals of Ca3NbGa3Si2O14 (CNGS) with ordered Ca3Ga2Ge4O14 (CGG) structure were successfully grown from stoichiometric melts by conventional Czochralski technique along the a-axis and two large (001) facets and two small (100) facets appear in every crystal. An arrangement of parallel steps and a clear height change were observed in (001) facet by atomic force microscopy (AFM). High-resolution X-ray diffraction (HRXRD) results indicate that CNGS crystals have good quality and free low-angle boundaries. The crystals also exhibit good optical quality and high optical transmittance in c-direction.

  7. Fabrication of Single Crystal MgO Capsules

    Science.gov (United States)

    Danielson, Lisa

    2012-01-01

    A method has been developed for machining MgO crystal blocks into forms for containing metallic and silicate liquids at temperatures up to 2,400 C, and pressures up to at least 320 kilobars. Possible custom shapes include tubes, rods, insulators, capsules, and guides. Key differences in this innovative method include drilling along the crystallographic zone axes, use of a vibration minimizing material to secure the workpiece, and constant flushing of material swarf with a cooling medium/lubricant (water). A single crystal MgO block is cut into a section .5 mm thick, 1 cm on a side, using a low-speed saw with a 0.004 blade. The cut is made parallel to the direction of cleavage. The block may be cut to any thickness to achieve the desired length of the piece. To minimize drilling vibrations, the MgO block is mounted on a piece of adhesive putty in a vise. The putty wad cradles the bottom half of the entire block. Diamond coring tools are used to drill the MgO to the desired custom shape, with water used to wet and wash the surface of swarf. Compressed air may also be used to remove swarf during breaks in drilling. The MgO workpiece must be kept cool at all times with water. After all the swarf is rinsed off, the piece is left to dry overnight. If the workpiece is still attached to the base of the MgO block after drilling, it may be cut off by using a diamond cutoff wheel on a rotary hand tool or by using a low-speed saw.

  8. Radiation-electromagnetic effect in germanium single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kikoin, I.K.; Kikoin, L.I.; Lazarev, S.D.

    1980-10-01

    An experimental study was made of the radiation-electromagnetic effect in germanium single crystals when excess carriers were generated by bombardment with ..cap alpha.. particles, protons, or x rays in magnetic fields up to 8 kOe. The source of ..cap alpha.. particles and protons was a cyclotron and x rays were provided by a tube with a copper anode. The radiation-electromagnetic emf increased linearly on increase in the magnetic field and was directly proportional to the flux of charged particles at low values of the flux, reaching saturation at high values of the flux (approx.5 x 10/sup 11/ particles .cm/sup -2/ .sec/sup -1/). In the energy range 4--40 MeV the emf was practically independent of the ..cap alpha..-particle energy. The sign of the emf was reversed when samples with a ground front surface were irradiated. Measurements of the photoelectromagnetic and Hall effects in the ..cap alpha..-particle-irradiated samples showed that a p-n junction was produced by these particles and its presence should be allowed for in investigations of the radiation-electromagnetic effect. The measured even radiation-electromagnetic emf increased quadratically on increase in the magnetic field. An investigation was made of the barrier radiation-voltaic effect (when the emf was measured between the irradiated and unirradiated surfaces). Special masks were used to produce a set of consecutive p-n junctions in germanium crystals irradiated with ..cap alpha.. particles. A study of the photovoltaic and photoelectromagnetic effects in such samples showed that the method could be used to increase the efficiency of devices utilizing the photoelectromagnetic effect.

  9. Thermal behaviour of strontium tartrate single crystals grown in gel

    Indian Academy of Sciences (India)

    M H Rahimkutty; K Rajendra Babu; K Sreedharan Pillai; M R Sudarsana Kumar; C M K Nair

    2001-04-01

    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 locked up in the lattice with different strengths in the grown crystals.

  10. Synthesis, crystal growth, solubility, structural, optical, dielectric and microhardness studies of Benzotriazole-4-hydroxybenzoic acid single crystals

    Science.gov (United States)

    Silambarasan, A.; Krishna Kumar, M.; Thirunavukkarasu, A.; Mohan Kumar, R.; Umarani, P. R.

    2015-06-01

    Organic Benzotriazole-4-hydroxybenzoic acid (BHBA), a novel second-order nonlinear optical single crystal was grown by solution growth method. The solubility and nucleation studies were performed for BHBA crystal at different temperatures 30, 35, 40 45 and 50 °C. Single crystal X-ray diffraction study reveals that the BHBA belongs to Pna21 space group of orthorhombic crystal system. The crystal perfection of BHBA was examined from powder and high resolution X-ray diffraction analysis. UV-visible and photoluminescence spectra were recorded to study its transmittance and excitation, emission behaviors respectively. Kurtz powder second harmonic generation test reveals that, the frequency conversion efficiency of BHBA is 3.7 times higher than that of potassium dihydrogen phosphate (KDP) crystal. The dielectric constant and dielectric loss values were estimated for BHBA crystal at various temperatures and frequencies. The mechanical property of BHBA crystal was studied on (110), (010) and (012) planes by using Vicker's microhardness test. The chemical etching study was performed on (012) facet of BHBA crystal to analyze its growth feature.

  11. Synthesis, growth, structural, thermal and optical studies of pyrrolidinium-2-carboxylate-4-nitrophenol single crystals

    Science.gov (United States)

    Swarna Sowmya, N.; Sampathkrishnan, S.; Vidyalakshmi, Y.; Sudhahar, S.; Mohan Kumar, R.

    2015-06-01

    Organic nonlinear optical material, pyrrolidinium-2-carboxylate-4-nitrophenol (PCN) was synthesized and single crystals were grown by slow evaporation solution growth method. Single crystal X-ray diffraction analysis confirmed the structure and lattice parameters of PCN crystals. Infrared, Raman and NMR spectral analyses were used to elucidate the functional groups present in the compound. The thermal behavior of synthesized compound was studied by thermogravimetric and differential scanning calorimetry (TG-DSC) analyses. The photoluminescence property was studied by exciting the crystal at 360 nm. The relative second harmonic generation (SHG) efficiency of grown crystal was estimated by using Nd:YAG laser with fundamental wavelength of 1064 nm.

  12. 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

  13. Direct measurements of conventional and anisotropic magnetocaloric effect in binary RAl2 single crystals

    Science.gov (United States)

    Monteiro, J. C. B.; Gandra, F. G.

    2017-06-01

    We report on specific heat and magnetocaloric effect (MCE) measurements in single crystals of HoAl2, DyAl2, and TbAl2 measured by a heat flux technique using Peltier devices. Those compounds order ferromagnetically at 31 K, 61 K, and 106 K respectively, and present a spin reorientation transition (SRT) below TC. We study the dependence of the SRT with magnetic field and temperature by means of specific heat measurements performed in single crystals oriented at the [" separators="| 100 ], [" separators="| 110 ], and [" separators="| 111 ] directions with the aid of calculations using a simple model. We obtained the conventional MCE for HoAl2 and TbAl2 and also the anisotropic version of the effect obtained indirectly from the specific heat for TbAl2 and DyAl2. We also present the results for a direct determination of the anisotropic MCE for DyAl2 by measuring the heat flux generated by a rotation of the single crystal under constant field.

  14. Indentation Size Effect and Microhardness Study of β-Sn Single Crystals

    Institute of Scientific and Technical Information of China (English)

    O.SAHIN; O.UZUN; U.KOLEMEN; B.DUZGUN; N.UCAR

    2005-01-01

    @@ The load dependence of apparent microhardness ofβ-Sn single crystals having different growth directions is investigated. The measurements are performed on (110) planes of these crystals in the load range from 10 to 50mN. It is found that the degree of the microhardness anisotropy decreases for higher indentation test loads. The examined materials exhibit the behaviour of indentation size effect (ISE), i.e., the apparent hardness increases with decreasing indentation load. Neither Meyer's law nor the proportional specimen resistance (PSR) model can fully explain the nonlinear variation of microhardness with load. Instead, preference is given to modified the PSR model based on the consideration of the effect of machining-induced residually stressed surface on the hardness measurement.

  15. Growth, Structural And Optical Studies On Bis L-alanine Lithium Chloride (BLALC) Single Crystal

    Science.gov (United States)

    Rose, A. S. J. Lucia; Selvarajan, P.; Perumal, S.

    2011-10-01

    Bis L-alanine Lithium Chloride (BLALC) single crystals were grown successfully by solution method with slow evaporation technique at room temperature. Crystals of size 15 x 9 x 4 mm3 have been obtained in 28 days. The grown crystals were colourless and transparent. Single crystal X-ray diffraction (XRD) study showed that BLALC belongs to orthorhombic system with a non-centro-symmetric space group P212121. The crystallinity of BLALC crystal was confirmed by the powder X-ray diffraction study and diffraction peaks were indexed. The functional groups of the grown crystals have been identified by FTIR studies. UV-visible transmittance spectrum was recorded to study the optical transparency of BLALC crystal. The nonlinear optical (NLO) property of the grown crystal was confirmed by Kurtz-Perry powder technique.

  16. Crystalline perfection, spectroscopic investigations and transport properties of trisglycine zinc chloride NLO single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Sugandhi, K.; Dinakaran, S.; Jose, M.; Uthrakumar, R. [Department of Physics, Loyola College, Chennai 600 034 (India); Jeya Rejendran, A. [Department of Chemistry, Loyola College, Chennai 600 034 (India); Bhagvannarayana, G. [CGC section, National Physical Laboratory, New Delhi 110 012 (India); Joseph, V. [Department of Physics, Loyola College, Chennai 600 034 (India); Jerome Das, S., E-mail: sjeromedas2004@yahoo.co [Department of Physics, Loyola College, Chennai 600 034 (India)

    2010-09-15

    Bulk single crystals of trisglycine zinc chloride have been grown from aqueous solution by slow cooling technique. Single crystal and powder XRD analyses confirmed orthorhombic crystal structure with non-centrosymmetric space group Pbn2{sub 1.} High resolution X-ray diffraction results have established that the quality of the grown crystal is quite good for device fabrication. The crystal was characterized by FTIR and NMR spectral analyses. Optical absorption studies show that the material has very low absorption in the wavelength range 240-2000 nm. The analysis of absorption coefficient in the absorption region reveals a direct band gap of 4.21 eV. The crystal possesses remarkable thermal stability up to 229 {sup o}C. Photoconductivity studies of the grown crystal revealed the positive photoconducting nature. The grown crystal exhibited considerable hardness anisotropy with Vicker's hardness tester. Dielectric constant and dielectric loss were calculated by varying frequencies at different temperatures.

  17. Coupled magnetic excitations in single crystal PrBa2Cu3O6.2

    DEFF Research Database (Denmark)

    Lister, S.J.S.; Boothroyd, A.T.; Andersen, N.H.

    2001-01-01

    The dispersion of the low-energy magnetic excitations of the Pr sublattice in PrBa2Cu3O6.2 is determined by inelastic neutron scattering measurements on a single crystal. The dispersion, which shows the effect of interactions with the Cu spin waves, is well described by a model of the coupled Cu......-Pr magnetic system. This model enables values for the principal exchange constants to be determined. The results suggest that both Pr-Pr and Cu-Pr interactions are important in producing the anomalously high ordering temperature of the Pr sublattice. Measurements of the Cu optic spin wave mode show...

  18. A Hydrogen - Vacancy Defect In Single-Crystal Silicon

    Science.gov (United States)

    Melnikov, V. V.

    2016-09-01

    Results of a theoretical study of the interaction of interstitial molecular hydrogen with vacancies and the effect of generated defects on the structural and energy characteristics of the H2-Si system are considered. Within the framework of a 5D model it has been demonstrated that the decrease of system symmetry under transition to the crystal defect structure and the increase of the rotational barrier due to the strong interaction of the molecule with a vacancy lead to the significant restructuring of H2 energy spectrum. However, when the molecule is stable its rotational degrees of freedom remain active and H2 low-lying energy levels correspond to the definite values of the angular momentum.

  19. Growth, Structural and Microhardness Studies on New Semiorganic Single Crystals of Calcium Para Nitrophenolate Dihydrate

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Good quality crystals of calcium p-nitrophenolate (NPCa) were grown from saturated solution by slow evaporation method. The crystal structure analysis and the molecular arrangement of these crystals were determined using X-ray diffraction (XRD). From single crystal XRD studies, NPCa is found to be crystallized in the monoclinic system with a space group P21/n. The functional groups of the material were confirmed qualitatively by FTIR (Fourier transform infrared spectroscopy) spectral analysis. Optical absorption studies reveal the absorption region and microhardness studies were carried out to confirm the mechanical behaviour of the crystals.

  20. Growth of BPO4 single crystals from Li2Mo3O10 flux

    Science.gov (United States)

    Xu, Guogang; Li, Jing; Han, Shujuan; Guo, Yongjie; Wang, Jiyang

    2010-12-01

    Transparent single crystal of BPO4 with a typical sizes of 5 × 7 × 9 mm3 have been grown by the top-seeded solution growth (TSSG) slow-cooling method using Li2Mo3O10 as the flux. X-ray powder diffraction result shows that the as-grown crystal was well crystallized and indexed in a tetragonal system. The processing parameters and the effects of the flux on the crystal growth were investigated.

  1. Piezoelectric properties of Sr3Ga2Ge4O14 single crystals

    Indian Academy of Sciences (India)

    Anhua Wu; Jiayue Xu; Juan Zhou; Hui Shen

    2007-04-01

    A new piezoelectric single crystal, Sr3Ga2Ge4O14 (SGG), has been grown successfully by the vertical Bridgman method with crucible-sealing technique. SGG crystal up to 2″ in diameter has been obtained. The relative dielectric constants, the piezoelectric strain constants, elastic compliance constants and electromechanical coupling factors have been 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 for surface-acoustic wave applications.

  2. Preparation and Raman Spectrum of Rutile Single Crystals Using Floating Zone Method

    Institute of Scientific and Technical Information of China (English)

    GUO Xing-Yuan; XU Da-Peng; DING Zhan-Hui; SU Wen-Hui

    2006-01-01

    With anatase-type titanium dioxide as the raw materials, the rutile type titanium dioxide single crystal is prepared using the floating zone method. The results ofXRD measurement show that the grown crystal is highly crystalline with a rutile structure, which has orientation to the c-axis. The four Raman vibration characteristic peaks (143, 240, 450 and 610cm-1 ) at room temperature show that the crystalline structure of the single crystal is a typical rutile phase, meanwhile a new Raman peak at around 690cm-1 is found. The results of the Raman measurement at various temperatures for the single crystal show that the Raman frequency shifts are different.

  3. Design and fabrication of PIN-PMN-PT single-crystal high-frequency ultrasound transducers.

    Science.gov (United States)

    Sun, Ping; Zhou, Qifa; Zhu, Benpeng; Wu, Dawei; Hu, Changhong; Cannata, Jonathan M; Tian, Jin; Han, Pengdi; Wang, Gaofeng; Shung, K Kirk

    2009-12-01

    High-frequency PIN-PMN-PT single crystal ultrasound transducers at center frequencies of 35 MHz and 60 MHz were successfully fabricated using lead indium niobate-lead magnesium niobate-lead titanate (0.23PIN- 0.5PMN-0.27PT) single crystal. The new PIN-PMN-PT single crystal has higher coercivity (6.0 kV/cm) and higher Curie temperature (160 degrees C) than PMN-PT crystal. Experimental results showed that the PIN-PMN-PT transducers have similar performance but better thermal stability compared with the PMN-PT transducers.

  4. Design and Fabrication of PIN-PMN-PT Single-Crystal High-Frequency Ultrasound Transducers

    OpenAIRE

    Sun, Ping; Zhou, Qifa; Zhu, Benpeng; WU, DAWEI; Hu, Changhong; Cannata, Jonathan M.; Tian, Jin; Han, Pengdi; Wang, Gaofeng; Shung, K. Kirk

    2009-01-01

    High-frequency PIN-PMN-PT single crystal ultrasound transducers at center frequencies of 35 MHz and 60 MHz were successfully fabricated using lead indium niobate-lead magnesium niobate-lead titanate (0.23PIN-0.5PMN-0.27PT) single crystal. The new PIN-PMN-PT single crystal has higher coercivity (6.0 kV/cm) and higher Curie temperature (160°C) than PMN-PT crystal. Experimental results showed that the PIN-PMN-PT transducers have similar performance but better thermal stability compared with the ...

  5. Fracture of Fe-3wt.% Si single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Prahl, J. [Czech Technical University in Prague, Department of Materials, Trojanova 13, 120 00 Prague 2 (Czech Republic); Machova, A. [Institute of Thermomechanics, Academy of Sciences of the Czech Republic, Dolejskova 5, 182 00 Prague 8 (Czech Republic); Landa, M. [Institute of Thermomechanics, Academy of Sciences of the Czech Republic, Dolejskova 5, 182 00 Prague 8 (Czech Republic); Hausild, P. [Czech Technical University in Prague, Department of Materials, Trojanova 13, 120 00 Prague 2 (Czech Republic)], E-mail: Petr.Hausild@fjfi.cvut.cz; Karlik, M. [Czech Technical University in Prague, Department of Materials, Trojanova 13, 120 00 Prague 2 (Czech Republic); Spielmannova, A. [Czech Technical University in Prague, Department of Materials, Trojanova 13, 120 00 Prague 2 (Czech Republic); Clavel, M. [Ecole Centrale Paris, LMSS-Mat, CNRS UMR 8579, Grande Voie des Vignes, 92295 Chatenay-Malabry (France); Haghi-Ashtiani, P. [Ecole Centrale Paris, LMSS-Mat, CNRS UMR 8579, Grande Voie des Vignes, 92295 Chatenay-Malabry (France)

    2007-07-25

    The ductile to brittle transition in {alpha}-iron was studied on four oriented single crystals of a Fe-3wt.% Si alloy using tensile tests of flat-notched specimens, scanning and transmission electron microscopy. The experimental results are compared with molecular dynamic simulations. Single-edge notched specimens were loaded in tension at room temperature, the crack propagated in a (001) plane and in the [1-bar10] direction. The crosshead speed was changed in the range from 0.1 to 5.0mm/min. Under the lowest loading rate, a plastic zone was formed at the notch tip, faster loading lead to brittle fracture. Fractographic analysis of one specimen ruptured at 1mm/min loading showed flat cleavage facets and tongues formed by the interaction of the principal crack with deformation twins. Besides the tongues, the fracture surface of the second sample ruptured at the same loading rate exhibited signs of plastic deformation. In the first specimen, transmission electron microscopy in the vicinity of the fracture surface confirmed deformation twinning and a very low dislocation density. In the second specimen, deformation twinning was assisted by slip of dislocations in the <111> {l_brace}112{r_brace} slip system. Molecular dynamics simulations confirmed that the crack growth has a more brittle character with increasing loading rates. At a slower loading rate, the crack growth is more difficult since it is impeded by emission of shielding dislocations from the crack tip in the <111> {l_brace}112{r_brace} slip system. Twin formation at the crack front was detected in simulations with edge cracks.

  6. From colloidal nanoparticles to a single crystal: new insights into the formation of nacre's aragonite tablets.

    Science.gov (United States)

    Zhang, Gangsheng; Xu, Jun

    2013-04-01

    Nacre has long served as a model for understanding the biomineralization mechanism and designing bio-inspired materials. However, its basic building blocks, the aragonite tablets, are still under debate in terms of their fine structure at the nanoscale and corresponding formation mechanism. Here, using a field emission scanning electron microscope (SEM), high resolution transmission electron microscope (HRTEM), and X-ray diffractometer, we comparatively investigate the immature and mature tablet from the green mussel's nacre. We find that: (1) the early immature tablet consists of closely-packed colloidal nanoparticles, which contain nanocrystals surrounded by the amorphous calcium carbonate (ACC) phase. Moreover, these nanocrystals are generally different in shape, size, and orientation; (2) the immature tablet can grow via oriented attachment besides via transformation of the ACC phase; and (3) with growth, the colloidal nanoparticles gradually increase in crystallinity and size until fully crystallized and fused together, leading to a mature tablet that is a monolithic single crystal of aragonite. Based on these findings, we propose a new model showing how the mature tablet evolves from the primary colloidal ACC nanoparticles. We expect this work will provide new insights into the formation of single crystal biominerals via the amorphous precursor route.

  7. Microstructurally-sensitive fatigue crack nucleation in Ni-based single and oligo crystals

    Science.gov (United States)

    Chen, Bo; Jiang, Jun; Dunne, Fionn P. E.

    2017-09-01

    An integrated experimental, characterisation and computational crystal plasticity study of cyclic plastic beam loading has been carried out for nickel single crystal (CMSX4) and oligocrystal (MAR002) alloys in order to assess quantitatively the mechanistic drivers for fatigue crack nucleation. The experimentally validated modelling provides knowledge of key microstructural quantities (accumulated slip, stress and GND density) at experimentally observed fatigue crack nucleation sites and it is shown that while each of these quantities is potentially important in crack nucleation, none of them in its own right is sufficient to be predictive. However, the local (elastic) stored energy density, measured over a length scale determined by the density of SSDs and GNDs, has been shown to predict crack nucleation sites in the single and oligocrystals tests. In addition, once primary nucleated cracks develop and are represented in the crystal model using XFEM, the stored energy correctly identifies where secondary fatigue cracks are observed to nucleate in experiments. This (Griffith-Stroh type) quantity also correctly differentiates and explains intergranular and transgranular fatigue crack nucleation.

  8. Thermal diffusion boron doping of single-crystal natural diamond

    Science.gov (United States)

    Seo, Jung-Hun; Wu, Henry; Mikael, Solomon; Mi, Hongyi; Blanchard, James P.; Venkataramanan, Giri; Zhou, Weidong; Gong, Shaoqin; Morgan, Dane; Ma, Zhenqiang

    2016-05-01

    With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

  9. 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.

  10. Ultraviolet Laser-induced ignition of RDX single crystal

    Science.gov (United States)

    Yan, Zhonghua; Zhang, Chuanchao; Liu, Wei; Li, Jinshan; Huang, Ming; Wang, Xuming; Zhou, Guorui; Tan, Bisheng; Yang, Zongwei; Li, Zhijie; Li, Li; Yan, Hongwei; Yuan, Xiaodong; Zu, Xiaotao

    2016-02-01

    The RDX single crystals are ignited by ultraviolet laser (355 nm, 6.4 ns) pulses. The laser-induced damage morphology consisted of two distinct regions: a core region of layered fracture and a peripheral region of stripped material surrounding the core. As laser fluence increases, the area of the whole crack region increases all the way, while both the area and depth of the core region increase firstly, and then stay stable over the laser fluence of 12 J/cm2. The experimental details indicate the dynamics during laser ignition process. Plasma fireball of high temperature and pressure occurs firstly, followed by the micro-explosions on the (210) surface, and finally shock waves propagate through the materials to further strip materials outside and yield in-depth cracks in larger surrounding region. The plasma fireball evolves from isotropic to anisotropic under higher laser fluence resulting in the damage expansion only in lateral direction while maintaining the fixed depth. The primary insights into the interaction dynamics between laser and energetic materials can help developing the superior laser ignition technique.

  11. Single crystal CVD diamond membranes for betavoltaic cells

    Science.gov (United States)

    Delfaure, C.; Pomorski, M.; de Sanoit, J.; Bergonzo, P.; Saada, S.

    2016-06-01

    A single crystal diamond large area thin membrane was assembled as a p-doped/Intrinsic/Metal (PIM) structure and used in a betavoltaic configuration. When tested with a 20 keV electron beam from a high resolution scanning electron microscope, we measured an open circuit voltage (Voc) of 1.85 V, a charge collection efficiency (CCE) of 98%, a fill-factor of 80%, and a total conversion efficiency of 9.4%. These parameters are inherently linked to the diamond membrane PIM structure that allows full device depletion even at 0 V and are among the highest reported up to now for any other material tested for betavoltaic devices. It enables to drive a high short-circuit current Isc up to 7.12 μA, to reach a maximum power Pmax of 10.48 μW, a remarkable value demonstrating the high-benefit of diamond for the realization of long-life radioisotope based micro-batteries.

  12. 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.

  13. Recrystallization of Single Crystal Nickel-Based Superalloy

    Institute of Scientific and Technical Information of China (English)

    ZHANG Bing; TAO Chun-hu; LU Xin; LIU Chang-kui; HU Chun-yan; BAI Ming-yuan

    2009-01-01

    A series of experiments of investigating the recrystallization of single crystal DD3 superalloy were carried out. The threshold temperature for recrystallization and the effect of annealing temperature on recrystaUization were studied. The results show that the threshold temperature for recrystallization of the shot-peened DD3 samples is be-tween 1 000 ℃ and 1 050℃ under the condition of annealing for 2 h, and the recrystallization depth increases with the rise of the annealing temperature. Below 1 150 ℃, the recrystallization depth increases slowly with the tempera-ture climbing, while above 1 150 ℃, the recrystallization depth increases quickly with the rise of the temperature. The solution of the γ' phase is a critical factor of the recrystallization behavior of DD3 superalloy. In addition, the ki-netics and microstructural evolution of recrystallization at 1 200 ℃ were also studied. It is found that the recrystalli-zation progresses rapidly at 1 200℃ through the growth of fully developed recrystallized grains, and the recrystalli-zation process on the shot-peened surface is similar to that of wrought materials, including nucleation of reerystalliza-tion, growth of new grains into the matrix, and growth of new grains by swallowing up each other.

  14. Flux dependence of deuterium retention in single crystal tungsten

    CERN Document Server

    Poon, M; Davis, J W; Haasz, A A

    2002-01-01

    The retention of deuterium in single crystal tungsten has been measured as a function of the incident ion flux in the range of 1x10 sup 1 sup 7 -5x10 sup 1 sup 9 D sup + /m sup 2 s at 300 K. Incident D sub 3 sup + ions were implanted to fluences of 10 sup 2 sup 1 , 10 sup 2 sup 2 , and 10 sup 2 sup 3 D sup + /m sup 2 with ion energies (500 eV/D sup +) below the threshold energy for elastic collision damage. Above 3x10 sup 1 sup 8 D sup + /m sup 2 s, little or no flux dependence is seen. However, a rapid decrease in retention is seen for incident fluxes below 10 sup 1 sup 8 D sup + /m sup 2 s at the 10 sup 2 sup 1 D sup + /m sup 2 fluence, suggesting a threshold value below which retention is strongly reduced. Flux dependence at the higher fluences show a smaller decrease in retention with decreasing flux. The observed results are consistent with trapping and trap evolution by cluster and cavity formation. The effect of specimen surface preparation has proved to be very significant, especially for the lower fl...

  15. On plastic flow in notched hexagonal close packed single crystals

    Science.gov (United States)

    Selvarajou, Balaji; Kondori, Babak; Benzerga, A. Amine; Joshi, Shailendra P.

    2016-09-01

    The micromechanics of anisotropic plastic flow by combined slip and twinning is investigated computationally in single crystal notched specimens. Constitutive relations for hexagonal close packed materials are used which take into account elastic anisotropy, thirty potential deformation systems, various hardening mechanisms and rate-sensitivity. The specimens are loaded perpendicular to the c-axis but the presence of a notch generates three-dimensional triaxial stress states. The study is motivated by recent experiments on a polycrystalline magnesium alloy. To enable comparisons with these where appropriate, three sets of activation thresholds for the various deformation systems are used. For the conditions that most closely mimic the alloy material, attention is focused on the relative roles of pyramidal and prismatic slip, as well as on the emergence of {1012bar}[101bar1] extension twinning at sufficiently high triaxiality. In all cases, the spatial variations of stress triaxiality and plastic strain, inclusive of various system activities, are quantified along with their evolution upon straining. The implications of these findings in fundamental understanding of ductile failure of HCP alloys in general and Mg alloys in particular are discussed.

  16. Sensitive X-ray detectors made of methylammonium lead tribromide perovskite single crystals

    NARCIS (Netherlands)

    Wei, Haotong; Fang, Yanjun; Mulligan, Padhraic; Chuirazzi, William; Fang, Hong-Hua; Wang, Congcong; Ecker, Benjamin R.; Gao, Yongli; Loi, Maria Antonietta; Cao, Lei; Huang, Jinsong

    2016-01-01

    The large mobilities and carrier lifetimes of hybrid perovskite single crystals and the high atomic numbers of Pb, I and Br make them ideal for X-ray and gamma-ray detection. Here, we report a sensitive X-ray detector made of methylammonium lead bromide perovskite single crystals. A record-high mobi

  17. Sensitive X-ray detectors made of methylammonium lead tribromide perovskite single crystals

    NARCIS (Netherlands)

    Wei, Haotong; Fang, Yanjun; Mulligan, Padhraic; Chuirazzi, William; Fang, Hong-Hua; Wang, Congcong; Ecker, Benjamin R.; Gao, Yongli; Loi, Maria Antonietta; Cao, Lei; Huang, Jinsong

    2016-01-01

    The large mobilities and carrier lifetimes of hybrid perovskite single crystals and the high atomic numbers of Pb, I and Br make them ideal for X-ray and gamma-ray detection. Here, we report a sensitive X-ray detector made of methylammonium lead bromide perovskite single crystals. A record-high mobi

  18. Lateral-Structure Single-Crystal Hybrid Perovskite Solar Cells via Piezoelectric Poling.

    Science.gov (United States)

    Dong, Qingfeng; Song, Jingfeng; Fang, Yanjun; Shao, Yuchuan; Ducharme, Stephen; Huang, Jinsong

    2016-04-13

    Single-crystal perovskite solar cells with a lateral structure yield an efficiency enhancement 44-fold that of polycrystalline thin films, due to the much longer carrier diffusion length. A piezoelectric effect observed in perovskite single-crystal and the strain-generated grain-boundaries enable ion migration to form a p-i-n structure.

  19. Growth and characterization of pure and doped NLO L-arginine acetate single crystals

    Indian Academy of Sciences (India)

    P Praveen Kumar; V Manivannan; P Sagayaraj; J Madhavan

    2009-08-01

    Single crystals of pure, Cu2+ and Mg2+ doped L-arginine acetate (LAA) were grown successfully by slow evaporation technique. In order to improve the device characteristics of LAA crystals, metal dopants of Cu2+ and Mg2+ were incorporated into the parent crystals. The grown pure and doped crystals were confirmed by X-ray powder diffraction studies. The pure and doped crystals were characterized by Fourier transform Raman (FT–Raman) and thermal studies. Absorptions of these grown crystals were analysed using UV–Vis–NIR studies, and it was found that these crystals possess minimum absorption in the entire visible region. Nonlinear optical studies of pure and doped crystals were carried out and it reveals that the dopants have increased the efficiency of LAA crystals.

  20. The growth of Ho:YAG single crystals by Czochralski method and investigating the formed cores

    Energy Technology Data Exchange (ETDEWEB)

    Hasani Barbaran, J., E-mail: jhasani@aeoi.org.ir; Ghani Aragi, M. R.; Javaheri, I.; Baharvand, B.; Tabasi, M.; Layegh Ahan, R.; Jangjo, E. [NSTRI, Laser and Optics Research School (Iran, Islamic Republic of)

    2015-12-15

    Ho:YAG single crystals were grown by Czochralski technique, and investigated by the X-ray diffraction (XRD) and optical methods. The crystals were cut and polished in order to observe and analyze their cores. It was found that the deviation of the cores formed in the Czochralski grown Ho:YAG single crystals are resulted from non-symmetrical status of thermal insulation around the Iridium crucible.

  1. Growth of lithium triborate single crystals from molten salt solution under various temperature gradients

    Science.gov (United States)

    Guretskii, S. A.; Ges, A. P.; Zhigunov, D. I.; Ignatenko, A. A.; Kalanda, N. A.; Kurnevich, L. A.; Luginets, A. M.; Milovanov, A. S.; Molchan, P. V.

    1995-12-01

    Single crystals of lithium triborate LiB 3O 5 (LBO) have been grown by the top-seeded solution growth method with B 2O 3 as a solvent using different temperature gradients in the zone of crystallization. Optical and nonlinear optical properties of LBO single crystals have been investigated. The influence of post-growth thermal treatment in oxygen atmosphere on the optical properties has been studied.

  2. Electron Cryomicroscopy of Membrane Proteins: Specimen Preparation for Two-Dimensional Crystals and Single Particles

    OpenAIRE

    Schmidt-Krey, Ingeborg; Rubinstein, John L.

    2010-01-01

    Membrane protein structure and function can be studied by two powerful and highly complementary electron cryomicroscopy (cryo-EM) methods: electron crystallography of two-dimensional (2D) crystals and single particle analysis of detergent-solubilized protein complexes. To obtain the highest-possible resolution data from membrane proteins, whether prepared as 2D crystals or single particles, cryo-EM samples must be vitrified with great care. Grid preparation for cryo-EM of 2D crystals is possi...

  3. Crystal growth of high-quality ZrB 2 single crystals using the floating-zone method

    Science.gov (United States)

    Hori, Kenji; Inoue, Shinji; Isogami, Mineo

    2008-01-01

    High-quality ZrB 2 single crystals with diameters of 13 mm and lengths of 45 mm were grown from boron-rich molten zones (boron 80 mol%), using the RF heated floating-zone method. The (0 0 0 1) single crystals were also grown using seed crystals. Control of temperature gradients on the growing interfaces was performed by arranging ceramic cylinders around the growing crystals and the feed rods. This made it possible to grow high-quality ZrB 2 single crystals free of defects such as lineage structures observed in X-ray topographies of cross-sections. In the central areas (3 mm square) of the grown crystals, the full-widths at half-maximum (FWHM) of the X-ray rocking curve (( 10-1¯0) diffraction) were improved to 24.5-42.4 arc sec compared with the crystals obtained until now. The ZrB 2 obtained seems to be quite suitable for substrates of GaN.

  4. 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.

  5. Modulation of nanotube formation in apatite single crystal via organic molecule incorporation

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Takuya, E-mail: tmatsu@dent.osaka-u.ac.jp [Department of Oromaxillofacial Regeneration, Osaka University, 1-8 Yamada-Oka, Suita 565-0871 (Japan); Uddin, Mohammad Hafiz; An, Sang Hyun [Department of Oromaxillofacial Regeneration, Osaka University, 1-8 Yamada-Oka, Suita 565-0871 (Japan); Arakawa, Kazuto; Taguchi, Eiji [Research Center for Ultra-High Voltage Electron Microscopy, Osaka University, 7-1 Mihogaoka, Ibaraki 567-0047 (Japan); Nakahira, Atsushi [Department of Material Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Sakai 599-8531 (Japan); Okazaki, Masayuki [Department of Biomaterials Science, Hiroshima University Faculty of Dentistry, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8553 (Japan)

    2011-08-15

    Highlights: {yields} Hydroxyapatite incorporating amino acid was fabricated. {yields} The synthesized crystals showed linearly aligned nano-pores in their structure after their EB irradiation or heating. {yields} Amino acid is considered as an effective porogen for the modulation of internal structure of apatite single crystal. - Abstract: Hydroxyapatite materials are potentially useful for biomedical application, especially as vehicles for functional molecules. Structural control of bulk apatite materials, such as in the fabrication of hollow microspheres or porous structures, has been studied for this purpose. However, control of the internal structure of the source apatite crystal itself is still a challenge. Here, we show that small organic molecules incorporated in apatite crystals act as porogens which control the porous structure of apatite single crystal. The presence of amino acid under apatite synthesis conditions leads to firm bindings and encapsulation of the amino acid in apatite single crystals. Amino acid elimination by heating or electron beam irradiation enhances the pore formation in apatite single crystal. Moreover, incorporation of an acidic amino acid in apatite induces peapod like nanotubes in apatite single crystals. This study suggests the potential of using small organics for nano-structural control of apatite single crystals which would be valuable for enhancing drug loadings or modulating material digestion in vivo.

  6. Epitaxial growth of Fe/Ag single crystal superlattices and their magnetic properties

    Institute of Scientific and Technical Information of China (English)

    Yu Gu; Fei Zeng; Fang Lv; Yuli Cu; Pei-yong Yang; Feng Pan

    2009-01-01

    Single crystal Fe/Ag(001) superlattices with various periodicities were fabricated using ultrahigh vacuum evaporation de-position.It was found that single crystal bcc Fe layers and single crystal fcc Ag layers can epitaxially grow on a single crystal Ag buffer layer alternately,which was deposited on NaCl single crystal chips by ion beam assisted deposition.The magnetic measure-ments of the superlattices reveal an oscillation coupling between ferromagnetism and antiferromagnetism as a function of the Ag layer thickness.The oscillation period,which is 1 nm (5 Ag layers),is in good agreement with the calculated values when the Ag thickness is greater than 1.5 nm.While the thickness of the Ag spacer layer decreases to 1 nm,the oscillation coupling varies from calculations,which can be attributed to the intermixing of the interlayers according to the annealing results.

  7. Single Crystal Substrates for Surface Acoustic Wave Devices.

    Science.gov (United States)

    1981-01-01

    The crystal growth of PbBi 2Nb 209 (PBN) by means of the Czochralski pulling method was initiated durinq this contract. No previous report of the...writing the software for a computer controlled constant-diameter attachment for our Czochralski crystal pullers, (bf a majorexperimental effort on the...controlled constant-diameter attachment for our Czochralski crystal pullers, (b) a major experimental effort on the qrowth of lead potassium niobate

  8. Modeling research of flexible single crystal germanium PIN diode under off state%柔性单晶锗 PIN 二极管在关态下的建模研究

    Institute of Scientific and Technical Information of China (English)

    王飞; 秦国轩

    2016-01-01

    This letter presents the fabrication method of flexible single-crystalline germanium nanomembrane (GeNM ) p-intrinsic-n (PIN ) diodes on plastic substrate and radio frequency (rf ) characterization under off state of various bending strains .In order to quantitatively research the RF characteristic variations with different mechanical stress applied on the flexible PIN diode under reverse mode ,accurate equivalent circuit models were set up under different bending radius .After researching the model parameters of the diode varying with the mechanical stress ,it can be obtained internal resistance ,parasitic inductance ,p+ p-junction resistor and p-n+ junction capacitance are the main factors affecting the rf characteristics .Mechanical bending makes these parameters change monotonously ,which results the rf characteristics of flexible single-crystal germanium PIN diode getting better under the off state .It also shows great potential in the strain measurement field .%介绍了柔性单晶锗纳米薄膜(GeNM )PIN 二极管的制备方法和反向偏置下对应不同弯曲状态下的射频特性。为了定量研究在反向偏置下机械弯曲对柔性PIN二极管射频特性的影响,分别搭建了不同弯曲半径下的等效电路模型。通过研究不同机械应力作用下模型中的各个参数的变化得到二极管内部电阻,寄生电感,p+ p-结的电阻以及p-n+结的电容为影响其射频特性的主要因素,机械弯曲使这些参数值单调变化,导致柔性单晶锗PIN二极管关态下的射频特性变好。这在应变测量领域显示出很大的发展应用潜力。

  9. Magnetic Relaxation Study on Single Crystals of Ni4 Single-Molecule Magnets

    Institute of Scientific and Technical Information of China (English)

    LI Yan-Rong; LIU Hai-Qing; LIU Ying; SU Shao-Kui; WANG Yun-Ping

    2009-01-01

    The ac susceptibility of single crystals of Nia single-molecule magnets is measured by a compensation measurement setup. The magnetic relaxation time calculated from the peak of the out-phase component of the susceptibility fits the Arrhenius law well and gives an effective spin-flipping energy barrier of Ueff = 7.2 K. This value is far below the classical activation energy barrier of U = 14 K, whereas it is close to the energy gap between the Sz = ±4 and Sz = ±3 doublets, which indicates that quantum tunneling between the Sz = 3 and Sz = -3 states plays a key role in the magnetic relaxation. Therefore the relaxation process combines thermal activation and quantum tunneling. Also we deduce that the blocking temperature of Ni4 single-molecule magnets is lower than 0.3 K by extrapolating the relaxation time plot, which ensures that this single-molecule magnet material enters a long-range magnetic ordered state instead of a spin glass state at 0.91 K.

  10. 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.

  11. Introducing single-crystal scattering and optical potentials into MCNPX: Predicting neutron emission from a convoluted moderator

    Science.gov (United States)

    Gallmeier, F. X.; Iverson, E. B.; Lu, W.; Baxter, D. V.; Muhrer, G.; Ansell, S.

    2016-04-01

    Neutron transport simulation codes are indispensable tools for the design and construction of modern neutron scattering facilities and instrumentation. Recently, it has become increasingly clear that some neutron instrumentation has started to exploit physics that is not well-modeled by the existing codes. In particular, the transport of neutrons through single crystals and across interfaces in MCNP(X), Geant4, and other codes ignores scattering from oriented crystals and refractive effects, and yet these are essential phenomena for the performance of monochromators and ultra-cold neutron transport respectively (to mention but two examples). In light of these developments, we have extended the MCNPX code to include a single-crystal neutron scattering model and neutron reflection/refraction physics. We have also generated silicon scattering kernels for single crystals of definable orientation. As a first test of these new tools, we have chosen to model the recently developed convoluted moderator concept, in which a moderating material is interleaved with layers of perfect crystals to provide an exit path for neutrons moderated to energies below the crystal's Bragg cut-off from locations deep within the moderator. Studies of simple cylindrical convoluted moderator systems of 100 mm diameter and composed of polyethylene and single crystal silicon were performed with the upgraded MCNPX code and reproduced the magnitude of effects seen in experiments compared to homogeneous moderator systems. Applying different material properties for refraction and reflection, and by replacing the silicon in the models with voids, we show that the emission enhancements seen in recent experiments are primarily caused by the transparency of the silicon and void layers. Finally we simulated the convoluted moderator experiments described by Iverson et al. and found satisfactory agreement between the measurements and the simulations performed with the tools we have developed.

  12. Introducing single-crystal scattering and optical potentials into MCNPX: Predicting neutron emission from a convoluted moderator

    Energy Technology Data Exchange (ETDEWEB)

    Gallmeier, F.X., E-mail: gallmeierfz@ornl.gov [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Iverson, E.B.; Lu, W. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Baxter, D.V. [Center for the Exploration of Energy and Matter, Indiana University, Bloomington, IN 47408 (United States); Muhrer, G.; Ansell, S. [European Spallation Source, ESS AB, Lund (Sweden)

    2016-04-01

    Neutron transport simulation codes are indispensable tools for the design and construction of modern neutron scattering facilities and instrumentation. Recently, it has become increasingly clear that some neutron instrumentation has started to exploit physics that is not well-modeled by the existing codes. In particular, the transport of neutrons through single crystals and across interfaces in MCNP(X), Geant4, and other codes ignores scattering from oriented crystals and refractive effects, and yet these are essential phenomena for the performance of monochromators and ultra-cold neutron transport respectively (to mention but two examples). In light of these developments, we have extended the MCNPX code to include a single-crystal neutron scattering model and neutron reflection/refraction physics. We have also generated silicon scattering kernels for single crystals of definable orientation. As a first test of these new tools, we have chosen to model the recently developed convoluted moderator concept, in which a moderating material is interleaved with layers of perfect crystals to provide an exit path for neutrons moderated to energies below the crystal's Bragg cut–off from locations deep within the moderator. Studies of simple cylindrical convoluted moderator systems of 100 mm diameter and composed of polyethylene and single crystal silicon were performed with the upgraded MCNPX code and reproduced the magnitude of effects seen in experiments compared to homogeneous moderator systems. Applying different material properties for refraction and reflection, and by replacing the silicon in the models with voids, we show that the emission enhancements seen in recent experiments are primarily caused by the transparency of the silicon and void layers. Finally we simulated the convoluted moderator experiments described by Iverson et al. and found satisfactory agreement between the measurements and the simulations performed with the tools we have developed.

  13. Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan

    2013-01-01

    Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

  14. Physicochemical, electrical and optical studies of methyl-3-(2-furylmethylidene) carbazate single crystal

    Indian Academy of Sciences (India)

    G Gomathi; R Gopalakrishnan

    2015-09-01

    The current study provides an insight into the physicochemical properties of an organic single crystal methyl-3-(2-furylmethylidene) carbazate, which was grown by employing the slow evaporation solution growth technique and its results were correlated for application point of view. The grown crystal was confirmed by performing single-crystal X-ray diffraction studies and Fourier transform infrared analysis. The optical, thermal, dielectric and mechanical properties of the grown single crystal were primarily investigated. Etching study was performed to analyse the defects and growth mechanism. Kurtz–Perry powder technique was used to study the second harmonic generation efficiency of the crystal and the crystal was found to exhibit Type-I phase matching.

  15. Method for the growth of large low-defect single crystals

    Science.gov (United States)

    Powell, J. Anthony (Inventor); Neudeck, Philip G. (Inventor); Trunek, Andrew J. (Inventor); Spry, David J. (Inventor)

    2008-01-01

    A method and the benefits resulting from the product thereof are disclosed for the growth of large, low-defect single-crystals of tetrahedrally-bonded crystal materials. The process utilizes a uniquely designed crystal shape whereby the direction of rapid growth is parallel to a preferred crystal direction. By establishing several regions of growth, a large single crystal that is largely defect-free can be grown at high growth rates. This process is particularly suitable for producing products for wide-bandgap semiconductors, such as SiC, GaN, AlN, and diamond. Large low-defect single crystals of these semiconductors enable greatly enhanced performance and reliability for applications involving high power, high voltage, and/or high temperature operating conditions.

  16. Growth and studies of cyclohexylammonium 4-methoxy benzoate single crystal for nonlinear optical applications

    Science.gov (United States)

    Sathya, P.; Gopalakrishnan, R.

    2015-06-01

    Cyclohexylammonium 4-Methoxy Benzoate (C4MB) was synthesised and the functional groups were confirmed by FTIR analysis. The purified C4MB (by repeated recrystallisation) was used for single crystal growth. Single crystal of cyclohexylammonium 4-methoxy benzoate was successfully grown by slow evaporation solution growth method at ambient temperature. Structural orientations were determined from single crystal X-ray diffractometer. Optical absorption and cut off wavelength were identified by UV-Visible spectroscopy. Thermal stability of the crystal was studied from thermogravimetric and differential thermal analyses curves. Mechanical stability of the grown crystal was analysed by Vicker's microhardness tester. The Second Harmonic Generation (SHG) study revealed that the C4MB compound exhibits the SHG efficiency 3.3 times greater than KDP crystal.

  17. Growth and studies of cyclohexylammonium 4-methoxy benzoate single crystal for nonlinear optical applications

    Energy Technology Data Exchange (ETDEWEB)

    Sathya, P.; Gopalakrishnan, R., E-mail: krgkrishnan@annauniv.edu [Crystal Research Lab, Department of Physics, Anna University, Chennai-600002 (India)

    2015-06-24

    Cyclohexylammonium 4-Methoxy Benzoate (C4MB) was synthesised and the functional groups were confirmed by FTIR analysis. The purified C4MB (by repeated recrystallisation) was used for single crystal growth. Single crystal of cyclohexylammonium 4-methoxy benzoate was successfully grown by slow evaporation solution growth method at ambient temperature. Structural orientations were determined from single crystal X-ray diffractometer. Optical absorption and cut off wavelength were identified by UV-Visible spectroscopy. Thermal stability of the crystal was studied from thermogravimetric and differential thermal analyses curves. Mechanical stability of the grown crystal was analysed by Vicker’s microhardness tester. The Second Harmonic Generation (SHG) study revealed that the C4MB compound exhibits the SHG efficiency 3.3 times greater than KDP crystal.

  18. 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

  19. Low Temperature heat capacity of Uranium-Plutonium MOX single crystals

    Science.gov (United States)

    Griveau, Jean-Christophe; Colineau, Eric; Eloirdi, Rachel; Caciuffo, Roberto

    2015-03-01

    The establishment of the basic properties of actinides based materials is crucial for the understanding of conventional and advanced nuclear fuels. Accessing ground state properties at very low temperature for these systems gives a direct overview of their fundamental features. Moreover, when these materials can be produced as single crystals, side effects due to the presence of grains and impurities phases are drastically reduced, giving a very powerful add-in for theoretical and industrial oriented studies. This clearly ensures the reliability of the parameters determined while existing models of these strategic materials can be probed especially in the purpose of applications/developments and safety concerns. Here we report on heat capacity measurements performed on U-Pu MOX in single crystal form. Tiny crystals with mass of 2 to 15 mg have been produced by solid-solid chemical vapour transport technique with several different compositions ranging from pure UO2 to PuO2. Compositions close to UO2 (U rich) present a persistent signature similarly to the magnetic transition reported for the pure phase TN ~ 31 K while plutonium rich concentrations do not show any hint of the magnetic transition down to the minimum temperature achieved.

  20. The Anisotropic Dynamic Response of Ultrafast Shocked Single Crystal PETN and Beta-HMX

    Science.gov (United States)

    Zaug, Joseph; Armstrong, Michael; Crowhurst, Jonathan; Austin, Ryan; Ferranti, Louis; Fried, Laurence; Bastea, Sorin

    2015-06-01

    We report results from ultrafast shockwave experiments conducted on single crystal high explosives. Experimental results consist of 12 picosecond time-resolved dynamic response wave profile data, (ultrafast time-domain interferometry-TDI), which are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. In addition, here we present unreacted equations of state data from PETN and beta-HMX up to higher pressures than previously reported, which are used to extend the predictive confidence of hydrodynamic simulations. Our previous results derived from a 360 ps drive duration yielded anisotropic elastic wave response in single crystal beta-HMX ((110) and (010) impact planes). Here we provide results using a 3x longer drive duration to probe the plastic response regime of these materials. We compare our ultrafast time domain interferometry (TDI) results with previous gun platform results. Ultrafast time scale resolution TDI measurements further guide the development of continuum models aimed to study pore collapse and energy localization in shock-compressed crystals of beta-HMX. This work was performed under the auspices of the U.S. Department of Energy jointly by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.