Electrical properties of molecular crystals

International Nuclear Information System (INIS)

Barraud, A.

1968-01-01

This literature survey summarizes the electrical properties of molecular crystals: molecular crystal structure, transport and excitation mechanisms of charge-carriers, and differences compared to inorganic semi-conductors. The main results concerning the electrical conductivity of the most-studied molecular crystals are presented, together with the optical and photo-electrical properties of these crystals. Finally the different types of electrical measurements used are reviewed, as well as the limits of each method. (author) [fr

MolPrint3D: Enhanced 3D Printing of Ball-and-Stick Molecular Models

Science.gov (United States)

Paukstelis, Paul J.

2018-01-01

The increased availability of noncommercial 3D printers has provided instructors and students improved access to printing technology. However, printing complex ball-and-stick molecular structures faces distinct challenges, including the need for support structures that increase with molecular complexity. MolPrint3D is a software add-on for the…

Crystal Ball contributions to the 9th international workshop on photon-photon collisions, La Jolla, 23-26 March 1992

International Nuclear Information System (INIS)

Bienlein, J.K.

1992-06-01

This report contains two articles concerning new Crystal Ball data on resonance formation by γγ collisions and the representation of such results by helicity amplitudes. See hints under the relevant topics. (HSI)

Site-discrimination by molecular imposters at dissymmetric molecular crystal surfaces

Science.gov (United States)

Poloni, Laura N.

The organization of atoms and molecules into crystalline forms is ubiquitous in nature and has been critical to the development of many technologies on which modern society relies. Classical crystal growth theory can describe atomic crystal growth, however, a description of molecular crystal growth is lacking. Molecular crystals are often characterized by anisotropic intermolecular interactions and dissymmetric crystal surfaces with anisotropic growth rates along different crystallographic directions. This thesis describes combination of experimental and computational techniques to relate crystal structure to surface structure and observed growth rates. Molecular imposters, also known as tailor-made impurities, can be used to control crystal growth for practical applications such as inhibition of pathological crystals, but can also be used to understand site specificity at crystal growth surfaces. The first part of this thesis builds on previous real-time in situ atomic force microscopy (AFM) observations of dislocation-actuated growth on the morphologically significant face of hexagonal L-cystine crystals, which aggregate in vivo to form kidney stones in patients suffering from cystinuria. The inhibitory effect of various L-cystine structural mimics (a.k.a. molecular imposters) was investigated through experimental and computational methods to identify the key structural factors responsible for molecular recognition between molecular imposters and L-cystine crystal surface sites. The investigation of L-cystine crystal growth in the presence of molecular imposters through a combination of kinetic analysis using in situ AFM, morphology analysis and birefringence measurements of bulk crystals, and molecular modeling of imposter binding to energetically inequivalent surface sites revealed that different molecular imposters inhibited crystal growth by a Cabrera-Vermilyea pinning mechanism and that imposters bind to a single binding site on the dissymmetric {1000} L

Dipole plasma in molecular crystals

International Nuclear Information System (INIS)

Kotel'nikov, Yu.E.; Kochelaev, B.I.

1976-01-01

Collective oscillations in a system of electric dipoles of molecular crystals are investigated. It has been proved in the exciton approximation that in an elementary cell of a molecular crystal with one molecule there may exist energy fluctuations of the ''dipole'' plasma, analogous to plasma oscillations in the charged Fermi liquid

BALL - biochemical algorithms library 1.3

Directory of Open Access Journals (Sweden)

Stöckel Daniel

2010-10-01

Full Text Available Abstract Background The Biochemical Algorithms Library (BALL is a comprehensive rapid application development framework for structural bioinformatics. It provides an extensive C++ class library of data structures and algorithms for molecular modeling and structural bioinformatics. Using BALL as a programming toolbox does not only allow to greatly reduce application development times but also helps in ensuring stability and correctness by avoiding the error-prone reimplementation of complex algorithms and replacing them with calls into the library that has been well-tested by a large number of developers. In the ten years since its original publication, BALL has seen a substantial increase in functionality and numerous other improvements. Results Here, we discuss BALL's current functionality and highlight the key additions and improvements: support for additional file formats, molecular edit-functionality, new molecular mechanics force fields, novel energy minimization techniques, docking algorithms, and support for cheminformatics. Conclusions BALL is available for all major operating systems, including Linux, Windows, and MacOS X. It is available free of charge under the Lesser GNU Public License (LPGL. Parts of the code are distributed under the GNU Public License (GPL. BALL is available as source code and binary packages from the project web site at http://www.ball-project.org. Recently, it has been accepted into the debian project; integration into further distributions is currently pursued.

Compact multiwire proportional chambers and electronics for the crystal ball detector

International Nuclear Information System (INIS)

Gaiser, J.E.; Liberman, A.D.; Rolfe, J.

1978-01-01

A double gap of cylindrical proportional chambers has been designed and built for use with a large solid angle, modular NaI(Tl) array (The Crystal Ball). The chambers are constructed of three coaxial foam-epoxy shells, covered with an aluminum-mylar laminate. One of the high voltage cathodes in each chamber has been photo-etched to produce a pattern of stripes and precise position measurements of tracks passing transverse to the chamber axis are found by pulse height analyzing the shaped and amplified induced strip signals. Performance of the chamber using both the strip signals and the sense wire readout is presented. The design of both the signal handling electronics and the digital portions of the systems is discussed

New Crystal Ball data on resonance formation by γγ-collisions

International Nuclear Information System (INIS)

Bienlein, J.K.

1992-01-01

The Crystal Ball detector at DORIS-II has observed a hitherto unknown (though expected) resonance at 1870 MeV/c 2 in the reaction γγ → ηπ o π o . Decay angular distributions and subsystem invariant masses favor the assignment η 2 (1870), a J PC = 2 -+ resonance. An efficient selection of the reaction γγ → π o π o yielded 7000 events. Angular distributions in narrow mass bins became possible and allowed the decomposition of the cross section into S- and D-wave contributions. Thus an f 0 (1250) resonance was found under the dominating f 2 (1270). The search for the channel γγ →ηη in the same selection yielded only (16 ± 6) events. (orig.)

Modeling of ultrafast THz interactions in molecular crystals

DEFF Research Database (Denmark)

Pedersen, Pernille Klarskov; Clark, Stewart J.; Jepsen, Peter Uhd

2014-01-01

In this paper we present a numerical study of terahertz pulses interacting with crystals of cesium iodide. We model the molecular dynamics of the cesium iodide crystals with the Density Functional Theory software CASTEP, where ultrafast terahertz pulses are implemented to the CASTEP software...... to interact with molecular crystals. We investigate the molecular dynamics of cesium iodide crystals when interacting with realistic terahertz pulses of field strengths from 0 to 50 MV/cm. We find nonlinearities in the response of the CsI crystals at field strengths higher than 10 MV/cm....

A look into the Medical and Veterinary Entomology crystal ball.

Science.gov (United States)

Dantas-Torres, F; Cameron, M M; Colwell, D D; Otranto, D

2014-08-01

Medical and Veterinary Entomology (MVE) represents a leading periodical in its field and covers many aspects of the biology and control of insects, ticks, mites and other arthropods of medical and veterinary importance. Since the first issue of the journal, researchers working in both developed and developing countries have published in MVE, with direct impact on current knowledge in the field. An increasing number of articles dealing with the epidemiology and transmission of vector-borne pathogens have been published in MVE, reflecting rapid changes in vector distribution, pathogen transmission and host-arthropod interactions. This article represents a gaze into the crystal ball in which we identify areas of increasing interest, discuss the main changes that have occurred in the epidemiology of parasitic arthropods since the first issue of MVE, and predict the principal scientific topics that might arise in the next 25 years for scientists working in medical and veterinary entomology. © 2014 The Royal Entomological Society.

Studies of η' (ω) mesons with the crystal ball/TAPS setup at MAMI

Energy Technology Data Exchange (ETDEWEB)

Adlarson, Patrik [Institut fuer Kernphysik, Johannes Gutenberg Universitaet, Mainz (Germany); Collaboration: A2-Collaboration

2015-07-01

Precision studies of light meson decays are used to investigate a wide range of topics related to fundamental aspects of hadron physics. In particular, η' decays allow for tests of such diverse topics as ππ scattering lengths, the SU(3) singlet-octet mixing angle, quark mass differences and light-by-light contribution to the anomalous magnetic moment of the muon. Recently, a large statistics sample of η'(ω) mesons have been produced and collected with the Crystal Ball/TAPS setup at MAMI. An overview of the physics motivation, the experimental setup and preliminary results from the ongoing analyses are presented.

Monolayer atomic crystal molecular superlattices

Science.gov (United States)

Wang, Chen; He, Qiyuan; Halim, Udayabagya; Liu, Yuanyue; Zhu, Enbo; Lin, Zhaoyang; Xiao, Hai; Duan, Xidong; Feng, Ziying; Cheng, Rui; Weiss, Nathan O.; Ye, Guojun; Huang, Yun-Chiao; Wu, Hao; Cheng, Hung-Chieh; Shakir, Imran; Liao, Lei; Chen, Xianhui; Goddard, William A., III; Huang, Yu; Duan, Xiangfeng

2018-03-01

Artificial superlattices, based on van der Waals heterostructures of two-dimensional atomic crystals such as graphene or molybdenum disulfide, offer technological opportunities beyond the reach of existing materials. Typical strategies for creating such artificial superlattices rely on arduous layer-by-layer exfoliation and restacking, with limited yield and reproducibility. The bottom-up approach of using chemical-vapour deposition produces high-quality heterostructures but becomes increasingly difficult for high-order superlattices. The intercalation of selected two-dimensional atomic crystals with alkali metal ions offers an alternative way to superlattice structures, but these usually have poor stability and seriously altered electronic properties. Here we report an electrochemical molecular intercalation approach to a new class of stable superlattices in which monolayer atomic crystals alternate with molecular layers. Using black phosphorus as a model system, we show that intercalation with cetyl-trimethylammonium bromide produces monolayer phosphorene molecular superlattices in which the interlayer distance is more than double that in black phosphorus, effectively isolating the phosphorene monolayers. Electrical transport studies of transistors fabricated from the monolayer phosphorene molecular superlattice show an on/off current ratio exceeding 107, along with excellent mobility and superior stability. We further show that several different two-dimensional atomic crystals, such as molybdenum disulfide and tungsten diselenide, can be intercalated with quaternary ammonium molecules of varying sizes and symmetries to produce a broad class of superlattices with tailored molecular structures, interlayer distances, phase compositions, electronic and optical properties. These studies define a versatile material platform for fundamental studies and potential technological applications.

Prediction of molecular crystal structures

International Nuclear Information System (INIS)

Beyer, Theresa

2001-01-01

The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol -1 of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy

Prediction of molecular crystal structures

Energy Technology Data Exchange (ETDEWEB)

Beyer, Theresa

2001-07-01

The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol{sup -1} of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy

Effect of ball mill treatment on kinetics of amorphous Ni78Si10B12 alloy crystallization

International Nuclear Information System (INIS)

Tomilin, I.A.; Mochalova, T.Yu.; Kaloshkin, S.D.; Kostyukovich, T.G.; Lopatina, E.A.

1993-01-01

The effect of the parameters of Ni 78 Si 10 B 12 alloy amorphous strip milling in a ball planetary mill on the stability of powder amorphous state, crytallization kinetics and dispersity is studied by the methods of differential scanning microcaloremetry and X-ray diffraction analysis. Energy intensity of milling conditions is assessed. An increase of input energy results in a decrease of activation energy of powder crystallization. Strip milling parameters which enable to avaintain the amorphous state of the material are determined

Recent Crystal Ball results on resonance formation in photon-photon collisions

International Nuclear Information System (INIS)

Karch, K.H.

1991-04-01

The Crystal Ball detector has been used to analyse the formation of resonances in photon-photon collisions. The π 2 (1670) resonance has been observed in the 3π 0 final state, as well as the η' (958) and X (1900) resonances in the ηπ 0 π 0 final state. The X (1900) decay distributions are consistent with the assumption that it is the J PC = 2 -+ η 2 meson. Preliminary analyses of the 8, 10 and 12γ final states are presented. The tensor meson f 2 (1270) is the most prominent structure in the energy dependence of the total cross section σ (γγ → π 0 π 0 ), but close investigation of the differential cross section indicates the presence of a sizeable S wave contribution. This observation is consistent with a broad scalar meson f 0 (1250), degenerate in mass with the f 2 . Indications for the f 0 (975) mesons have been found, too. (orig.)

Bismuth-ceramic nanocomposites through ball milling and liquid crystal synthetic methods

Science.gov (United States)

Dellinger, Timothy Michael

Three methods were developed for the synthesis of bismuth-ceramic nanocomposites, which are of interest due to possible use as thermoelectric materials. In the first synthetic method, high energy ball milling of bismuth metal with either MgO or SiO2 was found to produce nanostructured bismuth dispersed on a ceramic material. The morphology of the resulting bismuth depended on its wetting behavior with respect to the ceramic: the metal wet the MgO, but did not wet on the SiO2. Differential Scanning Calorimetry measurements on these composites revealed unusual thermal stability, with nanostructure retained after multiple cycles of heating and cooling through the metal's melting point. The second synthesis methodology was based on the use of lyotropic liquid crystals. These mixtures of water and amphiphilic molecules self-assemble to form periodic structures with nanometer-scale hydrophilic and hydrophobic domains. A novel shear mixing methodology was developed for bringing together reactants which were added to the liquid crystals as dissolved salts. The liquid crystals served to mediate synthesis by acting as nanoreactors to confine chemical reactions within the nanoscale domains of the mesophase, and resulted in the production of nanoparticles. By synthesizing lead sulfide (PbS) and bismuth (Bi) particles as proof-of-concept, it was shown that nanoparticle size could be controlled by controlling the dimensionality of the nanoreactors through control of the liquid crystalline phase. Particle size was shown to decrease upon going from three-dimensionally percolating nanoreactors, to two dimensional sheet-like nanoreactors, to one dimensional rod-like nanoreactors. Additionally, particle size could be controlled by varying the precursor salt concentration. Since the nanoparticles did not agglomerate in the liquid crystal immediately after synthesis, bismuth-ceramic nanocomposites could be prepared by synthesizing Bi nanoparticles and mixing in SiO2 particles which

Slow neutron scattering in molecular crystals. 5-4

International Nuclear Information System (INIS)

Inoue, Kazuhiko

1976-01-01

The utilization of incoherent inelastic neutron scattering (INS) as a probe for molecular crystals is reviewed. In particular, some typical examples of the measurement of incoherent inelastic neutron scattering spectra (INSS) in molecular crystals are presented in the first section of this report. The results of measurement are shown for theta-xylene, benzene, polypropylene oxide, deuteride, and formic acid. The second section presents an equation for the incoherent scattering cross section of a crystal by dividing the molecular motion into the outer and inner modes. Phonon expansion is also used for the easy understanding of the relation between the INSS and the dynamic characteristics of molecular crystals. In the third section, the measured results are analyzed on the basis of the theory presented in the previous section. And the difference between the van der Waals bond and the hydrogen bond is shortly discussed. (Aoki, K.)

Hole Mobility of Molecular β-Copper Phthalocyanine Crystal

International Nuclear Information System (INIS)

Pengmanayol, S.; Osotchan, T.; Suewattana, M.; Ingadapa, N.; Girdpun, J.

2011-01-01

A Monte Carlo approach is used to estimate hole mobilities in molecular β-copper phthalocyanine (CuPc) crystal for different applied electric field directions. Due to the crystal symmetry, the twelve neighboring molecules in the three-dimensional crystal are selected in the hopping rate calculation. Density functional theory is employed to derive the molecular interaction between the central and neighboring molecules for various applied electric fields. The derived molecular hopping rate is applied to 80 × 80 × 80 lattice sites under periodic boundary conditions. In order to achieve accurate statistics, each calculation includes 6561 particles with more than 10000 hopping steps under an applied electric field of 0.5–3.5 MV/cm. The results indicate that the molecular hopping strongly depends on the molecular orientation and neighboring sites related to the applied electric field direction. The estimated carrier mobility can be described by the percentage occupation in each neighboring site and the obtained hole mobility value is in the same range of the measured values of single crystal CuPc. The calculated mobility for applied electric field along the c crystal axis exhibits the highest values while the mobility along the b axis has the smallest value. (condensed matter: structure, mechanical and thermal properties)

Resonance formation in γγ-collisions - as observed with the Crystal Ball detector

International Nuclear Information System (INIS)

Bienlein, J.K.

1991-01-01

Analysis of two-photon reactions with the Crystal Ball detector at the DORIS-II e + e - storage ring (E beam = 5 GeV) resulted in a complete set of data on γγ-formation of mesons. The data are best represented by their helicity matrix elements. For isoscalar mesons the mixing of non-strange and strange quark constituents can be derived. A highly efficient selection of the channel γγ → π 0 π 0 yielded 7000 events with (M(π 0 π 0 ) > 800 MeV/c 2 . A partial wave decomposition became possible and showed under the f 2 (1270) a scalar meson resonance f 0 (1250) with 4.0 standard deviations. In the same analysis 23 events of γγ → ηη have been found. (orig.)

Optical spectra and lattice dynamics of molecular crystals

CERN Document Server

Zhizhin, GN

1995-01-01

The current volume is a single topic volume on the optical spectra and lattice dynamics of molecular crystals. The book is divided into two parts. Part I covers both the theoretical and experimental investigations of organic crystals. Part II deals with the investigation of the structure, phase transitions and reorientational motion of molecules in organic crystals. In addition appendices are given which provide the parameters for the calculation of the lattice dynamics of molecular crystals, procedures for the calculation of frequency eigenvectors of utilizing computers, and the frequencies and eigenvectors of lattice modes for several organic crystals. Quite a large amount of Russian literature is cited, some of which has previously not been available to scientists in the West.

Molecular mechanisms of crystal growth

International Nuclear Information System (INIS)

Pina, C. M.

2000-01-01

In this paper I present an example of the research that the Mineral Surface Group of the Munster University is conducting in the field of Crystal Growth. Atomic Force Microscopy (Am) in situ observations of different barite (BaSO4) faces growing from aqueous solutions, in combination with computer simulations of the surface attachment of growth units allows us to test crystal growth models. Our results demonstrate the strong structural control that a crystal can exert on its own growth, revealing also the limitation of the classical crystal growth theories (two dimensional nucleation and spiral growth models) in providing a complete explanation for the growth behaviour at a molecular scale. (Author) 6 refs

Simulating fullerene ball bearings of ultra-low friction

International Nuclear Information System (INIS)

Li Xiaoyan; Yang Wei

2007-01-01

We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C 60 and C 20 ) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10 -7 and 6.768 x 10 -7 nN/atom for C 60 and C 20 bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C 60 and C 20 bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings

Design and performance of a modularized NaI(Tl) detector (the crystal ball prototype)

International Nuclear Information System (INIS)

Chan, Y.; Partridge, R.A.; Peck, C.W.

1977-01-01

A prototype NaI(Tl) detector (the Cluster of 54) of spherical geometry subtending a solid angle of 7.5 percent of 4π at its center, has recently been assembled and tested. This detector consisted of 54 close-packed but optically isolated NaI(Tl) modules and the associated electronic circuitry. The Cluster of 54 is the predecessor of an almost complete spherical detector, the Crystal Ball, which will cover 94 percent of 4π. The latter detector is now under construction and is especially designed for the study of γ-rays produced in electron-positron collisions at colliding beam facilities. The mechanical, optical, and electronic assembly of the prototype system is outlined. Cluster of 54 test data will be presented

Universal crystal cooling device for precession cameras, rotation cameras and diffractometers

International Nuclear Information System (INIS)

Hajdu, J.; McLaughlin, P.J.; Helliwell, J.R.; Sheldon, J.; Thompson, A.W.

1985-01-01

A versatile crystal cooling device is described for macromolecular crystallographic applications in the 290 to 80 K temperature range. It utilizes a fluctuation-free cold-nitrogen-gas supply, an insulated Mylar crystal cooling chamber and a universal ball joint, which connects the cooling chamber to the goniometer head and the crystal. The ball joint is a novel feature over all previous designs. As a result, the device can be used on various rotation cameras, precession cameras and diffractometers. The lubrication of the interconnecting parts with graphite allows the cooling chamber to remain stationary while the crystal and goniometer rotate. The construction allows for 360 0 rotation of the crystal around the goniometer axis and permits any settings on the arcs and slides of the goniometer head (even if working at 80 K). There are no blind regions associated with the frame holding the chamber. Alternatively, the interconnecting ball joint can be tightened and fixed. This results in a set up similar to the construction described by Bartunik and Schubert where the cooling chamber rotates with the crystal. The flexibility of the systems allows for the use of the device on most cameras or diffractometers. THis device has been installed at the protein crystallographic stations of the Synchrotron Radiation Source at Daresbury Laboratory and in the Laboratory of Molecular Biophysics, Oxford. Several data sets have been collected with processing statistics typical of data collected without a cooling chamber. Tests using the full white beam of the synchrotron also look promising. (orig./BHO)

Microstructural Evolution, Thermodynamics, and Kinetics of Mo-Tm2O3 Powder Mixtures during Ball Milling

Directory of Open Access Journals (Sweden)

Yong Luo

2016-10-01

Full Text Available The microstructural evolution, thermodynamics, and kinetics of Mo (21 wt % Tm2O3 powder mixtures during ball milling were investigated using X-ray diffraction and transmission electron microscopy. Ball milling induced Tm2O3 to be decomposed and then dissolved into Mo crystal. After 96 h of ball milling, Tm2O3 was dissolved completely and the supersaturated nanocrystalline solid solution of Mo (Tm, O was obtained. The Mo lattice parameter increased with increasing ball-milling time, opposite for the Mo grain size. The size and lattice parameter of Mo grains was about 8 nm and 0.31564 nm after 96 h of ball milling, respectively. Ball milling induced the elements of Mo, Tm, and O to be distributed uniformly in the ball-milled particles. Based on the semi-experimental theory of Miedema, a thermodynamic model was developed to calculate the driving force of phase evolution. There was no chemical driving force to form a crystal solid solution of Tm atoms in Mo crystal or an amorphous phase because the Gibbs free energy for both processes was higher than zero. For Mo (21 wt % Tm2O3, it was mechanical work, not the negative heat of mixing, which provided the driving force to form a supersaturated nanocrystalline Mo (Tm, O solid solution.

Control of liquid crystal molecular orientation using ultrasound vibration

Energy Technology Data Exchange (ETDEWEB)

Taniguchi, Satoki [Faculty of Life and Medical Sciences, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Wave Electronics Research Center, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Koyama, Daisuke; Matsukawa, Mami [Wave Electronics Research Center, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Faculty of Science and Engineering, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Shimizu, Yuki; Emoto, Akira [Faculty of Science and Engineering, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Nakamura, Kentaro [Precision and Intelligence Laboratory, Tokyo Institute of Technology, 4259-R2-26, Nagatsuta-cho, Midori-ku, Yokohama 226-8503 (Japan)

2016-03-07

We propose a technique to control the orientation of nematic liquid crystals using ultrasound and investigate the optical characteristics of the oriented samples. An ultrasonic liquid crystal cell with a thickness of 5–25 μm and two ultrasonic lead zirconate titanate transducers was fabricated. By exciting the ultrasonic transducers, the flexural vibration modes were generated on the cell. An acoustic radiation force to the liquid crystal layer was generated, changing the molecular orientation and thus the light transmission. By modulating the ultrasonic driving frequency and voltage, the spatial distribution of the molecular orientation of the liquid crystals could be controlled. The distribution of the transmitted light intensity depends on the thickness of the liquid crystal layer because the acoustic field in the liquid crystal layer is changed by the orientational film.

Crystallite sizes of LiH before and after ball milling and thermal exposure

International Nuclear Information System (INIS)

Ortiz, Angel L.; Osborn, William; Markmaitree, Tippawan; Shaw, Leon L.

2008-01-01

The powder characteristics of lithium hydride (LiH) as a function of high-energy ball milling condition are systematically investigated via quantitative X-ray diffraction (XRD) analysis. The results obtained from the XRD analysis are compared with those attained from scanning electron microscopy (SEM), transmission electron microscopy (TEM), and specific surface area (SSA) analyses. The thermal stability of the ball-milled LiH is also investigated in order to provide physical insights into its cyclic stability in hydrogen sorption and desorption cycles. The results indicate that ball milling is effective in obtaining nano-crystalline LiH powder which is relatively stable with retention of nano-crystals after thermal exposure at 285 deg. C (equivalent to 0.58T m ) for 1 h. The good thermal stability observed is attributed to the presence of many pores in the agglomerates at the ball-milled condition. These pores effectively prevent crystal growth during the thermal exposure

Crystallite sizes of LiH before and after ball milling and thermal exposure

Energy Technology Data Exchange (ETDEWEB)

Ortiz, Angel L. [Departamento de Electronica e Ingenieria Electromecanica, Universidad de Extremadura, Badajoz (Spain); Osborn, William; Markmaitree, Tippawan [Department of Chemical, Materials and Biomolecular Engineering, University of Connecticut, 97 North Eagleville Road, U-3136 Storrs, CT 06269-3136 (United States); Shaw, Leon L. [Department of Chemical, Materials and Biomolecular Engineering, University of Connecticut, 97 North Eagleville Road, U-3136 Storrs, CT 06269-3136 (United States)], E-mail: leon.shaw@uconn.edu

2008-04-24

The powder characteristics of lithium hydride (LiH) as a function of high-energy ball milling condition are systematically investigated via quantitative X-ray diffraction (XRD) analysis. The results obtained from the XRD analysis are compared with those attained from scanning electron microscopy (SEM), transmission electron microscopy (TEM), and specific surface area (SSA) analyses. The thermal stability of the ball-milled LiH is also investigated in order to provide physical insights into its cyclic stability in hydrogen sorption and desorption cycles. The results indicate that ball milling is effective in obtaining nano-crystalline LiH powder which is relatively stable with retention of nano-crystals after thermal exposure at 285 deg. C (equivalent to 0.58T{sub m}) for 1 h. The good thermal stability observed is attributed to the presence of many pores in the agglomerates at the ball-milled condition. These pores effectively prevent crystal growth during the thermal exposure.

Ball Screw Actuator Including a Compliant Ball Screw Stop

Science.gov (United States)

Wingett, Paul T. (Inventor); Hanlon, Casey (Inventor)

2017-01-01

An actuator includes a ball nut, a ball screw, and a ball screw stop. The ball nut is adapted to receive an input torque and in response rotates and supplies a drive force. The ball screw extends through the ball nut and has a first end and a second end. The ball screw receives the drive force from the ball nut and in response selectively translates between a retract position and a extend position. The ball screw stop is mounted on the ball screw proximate the first end to translate therewith. The ball screw stop engages the ball nut when the ball screw is in the extend position, translates, with compliance, a predetermined distance toward the first end upon engaging the ball nut, and prevents further rotation of the ball screw upon translating the predetermined distance.

A computer-aided molecular design framework for crystallization solvent design

DEFF Research Database (Denmark)

Karunanithi, Arunprakash T.; Achenie, Luke E.K.; Gani, Rafiqul

2006-01-01

One of the key decisions in designing solution crystallization processes is the selection of solvents. In this paper, we present a computer-aided molecular design (CAMD) framework for the design and selection of solvents and/or anti-solvents for solution crystallization. The CAMD problem is formu......One of the key decisions in designing solution crystallization processes is the selection of solvents. In this paper, we present a computer-aided molecular design (CAMD) framework for the design and selection of solvents and/or anti-solvents for solution crystallization. The CAMD problem...... solvent molecules. Solvent design and selection for two types of solution crystallization processes namely cooling crystallization and drowning out crystallization are presented. In the first case study, the design of single compound solvent for crystallization of ibuprofen, which is an important...

Superradiance from crystals of molecular nanomagnets.

Science.gov (United States)

Chudnovsky, E M; Garanin, D A

2002-10-07

We show that crystals of molecular nanomagnets can exhibit giant magnetic relaxation due to the Dicke superradiance of electromagnetic waves. Rigorous theory is presented that combines superradiance with the Landau-Zener effect.

Studies of the surface structures of molecular crystals and of adsorbed molecular monolayers on the (111) crystal faces of platinum and silver by low-energy electron diffraction

International Nuclear Information System (INIS)

Firment, L.E.

1977-01-01

The structures of molecular crystal surfaces were investigated for the first time by the use of low-energy electron diffraction (LEED). The experimental results from a variety of molecular crystals were examined and compared as a first step towards understanding the properties of these surfaces on a microscopic level. The method of sample preparation employed, vapor deposition onto metal single-crystal substrates at low temperatures in ultrahigh vacuum, allowed concurrent study of the structures of adsorbed monolayers on metal surfaces and of the growth processes of molecular films on metal substrates. The systems investigated were ice, ammonia, naphthalene, benzene, the n-paraffins (C 3 to C 8 ), cyclohexane, trioxane, acetic acid, propionic acid, methanol, and methylamine adsorbed and condensed on both Pt(111) and Ag(111) surfaces. Electron-beam-induced damage of the molecular surfaces was observed after electron exposures of 10 -4 A sec cm -2 at 20 eV. Aromatic molecular crystal samples were more resistant to damage than samples of saturated molecules. The quality and orientation of the grown molecular crystal films were influenced by substrate preparation and growth conditions. Forty ordered monolayer structures were observed. 110 figures, 22 tables, 162 references

Construction of the Crystal Ball detector system and study of the helicity asymmetry in {gamma}p{yields}p{pi}{sup 0}{pi}{sup 0}; Aufbau des Crystal Ball-Detektorsystems und Untersuchung der Helizitaetsasymmetrie in {gamma} p {yields} p {pi}{sup 0} {pi}{sup 0}

Energy Technology Data Exchange (ETDEWEB)

Krambrich, D.

2007-01-15

Since spring 2004 the Crystal Ball Detector has been used for coincidence experiments probing the structure of the nucleons with real photons at the Mainzer Microtron. A major part of the commissioning, which was the first goal of this work, was the development and implementation of a new system for the Crystal Ball electronics. Components were designed or tested and, if necessary, modified to fit the experimental needs. After the commissioning, the set-up was then used successfully in several pion and eta production experiments for more than 2500 hours of beamtime. The second focus of this dissertation is the first measurement of the beam helicity asymmetry I{sup s}un in photoproduction of two neutral pions. The understanding of the excitation spectra of the nucleon requires experiments using polarised photons and/or polarised targets. Models based on different assumptions do reproduce the quantities measured without polarisation equally well but differ in the prediction of polarisation observables. The determination of more sensitive quantities is therefore mandatory. In contrast to single meson production, an observable appears in double pion production when using circularly polarized photons incident on an unpolarized target. This observable was determined as a function of energy and angle in the reactions {gamma} p {yields} p {pi}{sup 0} {pi}{sup 0} and in {gamma} p {yields} p {pi}{sup +} {pi}{sup -}. The results differ significantly from the model predictions. (orig.)

Construction of the Crystal Ball detector system and study of the helicity asymmetry in γp→pπ0π0

International Nuclear Information System (INIS)

Krambrich, D.

2007-01-01

Since spring 2004 the Crystal Ball Detector has been used for coincidence experiments probing the structure of the nucleons with real photons at the Mainzer Microtron. A major part of the commissioning, which was the first goal of this work, was the development and implementation of a new system for the Crystal Ball electronics. Components were designed or tested and, if necessary, modified to fit the experimental needs. After the commissioning, the set-up was then used successfully in several pion and eta production experiments for more than 2500 hours of beamtime. The second focus of this dissertation is the first measurement of the beam helicity asymmetry I s un in photoproduction of two neutral pions. The understanding of the excitation spectra of the nucleon requires experiments using polarised photons and/or polarised targets. Models based on different assumptions do reproduce the quantities measured without polarisation equally well but differ in the prediction of polarisation observables. The determination of more sensitive quantities is therefore mandatory. In contrast to single meson production, an observable appears in double pion production when using circularly polarized photons incident on an unpolarized target. This observable was determined as a function of energy and angle in the reactions γ p → p π 0 π 0 and in γ p → p π + π - . The results differ significantly from the model predictions. (orig.)

Uncovering molecular processes in crystal nucleation and growth by using molecular simulation.

Science.gov (United States)

Anwar, Jamshed; Zahn, Dirk

2011-02-25

Exploring nucleation processes by molecular simulation provides a mechanistic understanding at the atomic level and also enables kinetic and thermodynamic quantities to be estimated. However, whilst the potential for modeling crystal nucleation and growth processes is immense, there are specific technical challenges to modeling. In general, rare events, such as nucleation cannot be simulated using a direct "brute force" molecular dynamics approach. The limited time and length scales that are accessible by conventional molecular dynamics simulations have inspired a number of advances to tackle problems that were considered outside the scope of molecular simulation. While general insights and features could be explored from efficient generic models, new methods paved the way to realistic crystal nucleation scenarios. The association of single ions in solvent environments, the mechanisms of motif formation, ripening reactions, and the self-organization of nanocrystals can now be investigated at the molecular level. The analysis of interactions with growth-controlling additives gives a new understanding of functionalized nanocrystals and the precipitation of composite materials. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theory of piezoelectricity, electrostriction, and pyroelectricity in molecular crystals.

Science.gov (United States)

Munn, R W

2010-03-14

A microscopic theory is presented for piezoelectricity, electrostriction, and pyroelectricity in molecular crystals. The required coefficients are derived by combining a theoretical treatment of the dependence of molecular dipole moments on molecular displacement and a generalized elastic theory for internal strain.

Influence of Process Control Agent on Characterization and Structure of Micron Chitosan Powders Prepared by Ball Milling Method

Directory of Open Access Journals (Sweden)

ZHANG Chuan-jie

2016-12-01

Full Text Available With ethyl alcohol or distilled water as process control agent (PCA, micron chitosan powder was prepared by ball milling method. The yield rate, particle size distribution, micro morphology, viscosity average molecular mass, chemical and crystal structures, and thermal properties of these different micron chitosan powders were measured. The results indicate that the yield rate of micron chitosan powders prepared with ethyl alcohol as PCA increases significantly, and improves to 94.7% from 25% while the amount of ethyl alcohol is 0.75mL/g. The particle size distribution of micron chitosan powder prepared with ethyl alcohol as PCA is concentrated, while the D50 and D90 in size are 824nm and 1629nm respectively. Chitosan do not react with ethyl alcohol used as PCA, but the viscosity average molecular mass of prepared micron chitosan powder decreases by 23%, the crystal structures are destroyed slightly, and its thermal stability is slightly weakened.

Electrical properties of molecular crystals; Proprietes electriques des cristaux moleculaires

Energy Technology Data Exchange (ETDEWEB)

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

1968-07-01

This literature survey summarizes the electrical properties of molecular crystals: molecular crystal structure, transport and excitation mechanisms of charge-carriers, and differences compared to inorganic semi-conductors. The main results concerning the electrical conductivity of the most-studied molecular crystals are presented, together with the optical and photo-electrical properties of these crystals. Finally the different types of electrical measurements used are reviewed, as well as the limits of each method. (author) [French] Cette etude bibliographique resume les proprietes electriques des cristaux moleculaires: structure des cristaux moleculaires, mecanismes de transport et d'excitation des porteurs de charge et differences avec les semiconducteurs mineraux. Les principaux resultats sur la conductibilite electrique des cristaux moleculaires les plus etudies y sont exposes, ainsi que les proprietes optiques et photoelectriques de ces cristaux. Enfin les differents types de mesures electriques utilisees sont passees en revue ainsi que les limites de chaque methode. (auteur)

Electrical properties of molecular crystals; Proprietes electriques des cristaux moleculaires

Energy Technology Data Exchange (ETDEWEB)

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

1968-07-01

This literature survey summarizes the electrical properties of molecular crystals: molecular crystal structure, transport and excitation mechanisms of charge-carriers, and differences compared to inorganic semi-conductors. The main results concerning the electrical conductivity of the most-studied molecular crystals are presented, together with the optical and photo-electrical properties of these crystals. Finally the different types of electrical measurements used are reviewed, as well as the limits of each method. (author) [French] Cette etude bibliographique resume les proprietes electriques des cristaux moleculaires: structure des cristaux moleculaires, mecanismes de transport et d'excitation des porteurs de charge et differences avec les semiconducteurs mineraux. Les principaux resultats sur la conductibilite electrique des cristaux moleculaires les plus etudies y sont exposes, ainsi que les proprietes optiques et photoelectriques de ces cristaux. Enfin les differents types de mesures electriques utilisees sont passees en revue ainsi que les limites de chaque methode. (auteur)

Plasticity induced phase transformation in molecular crystals

OpenAIRE

Koslowski, Marisol

2014-01-01

Solid state amorphization (SSA) can be achieved in crystalline materials including metal alloys, intermetallics, semiconductors, minerals and molecular crystals. Even though the mechanisms may differ in different materials, the crystalline to amorphous transformation occurs when the crystal reaches a metastable state in which its free energy is higher than that of the amorphous phase. SSA is observed in metal alloys because of interdiffusion of the crystalline elements during mechanical milli...

Molecular morphology and crystallization in the quantum limit

DEFF Research Database (Denmark)

Bohr, Jakob

2002-01-01

The effects of phonons on crystallization and crystal morphology are investigated. It is shown that the commensuration of the lattice vibrations with the lattice will favor certain crystal morphologies. Vibrational effects can also be important for the molecular structure of chain molecules...... protein are estimated to differ by several electron volts. For a biomolecule, such energy is significant and may contribute to cold denaturing as seen for proteins. This is consistent with the empirical observation that cold denaturation is exothermic and hot denaturation endothermic....

Ab initio molecular crystal structures, spectra, and phase diagrams.

Science.gov (United States)

Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

2014-09-16

Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling

Crystal and molecular simulation of high-performance polymers.

Science.gov (United States)

Colquhoun, H M; Williams, D J

2000-03-01

Single-crystal X-ray analyses of oligomeric models for high-performance aromatic polymers, interfaced to computer-based molecular modeling and diffraction simulation, have enabled the determination of a range of previously unknown polymer crystal structures from X-ray powder data. Materials which have been successfully analyzed using this approach include aromatic polyesters, polyetherketones, polythioetherketones, polyphenylenes, and polycarboranes. Pure macrocyclic homologues of noncrystalline polyethersulfones afford high-quality single crystals-even at very large ring sizes-and have provided the first examples of a "protein crystallographic" approach to the structures of conventionally amorphous synthetic polymers.

Molecular dynamics simulations of liquid crystals at interfaces

International Nuclear Information System (INIS)

Shield, Mark

2002-01-01

Molecular dynamics simulations of an atomistic model of 4-n-octyl-4'-cyanobiphenyl (8CB) were performed for thin films of 8CB on solid substrates (a pseudopotential representation of the molecular topography of the (100) crystal surface of polyethylene (PE), a highly ordered atomistic model of a pseudo-crystalline PE surface and an atomistic model of a partially orientated film of PE), free standing thin films of 8CB and 8CB droplets in a hexagonal pit. The systems showed strong homeotropic anchoring at the free volume interface and planar anchoring at the solid interface whose strength was dependent upon the surface present. The free volume interface also demonstrated weak signs of smectic wetting of the bulk. Simulations of thin free standing films of liquid crystals showed the ordered nature of the liquid crystals at the two free volume interfaces can be adopted by the region of liquid crystal molecules between the homeotropic layer at each interface only if there is a certain number of liquid crystal molecules present. The perpendicular anchoring imposed by the free volume interface and the solid interface for the thin films on the solid substrates resulted in some evidence for the liquid crystal director undergoing a continual rotation at low temperatures and a definite discontinuous change at higher temperatures. The liquid crystal alignment imparted by these substrates was found to depend upon the topography of the surface and not the direction of the polymer chains in the substrate. The liquid crystal was found to order via an epitaxy-like mechanism. The perpendicular anchoring results in a drop in the order - disorder transition temperature for the molecules in the region between the homeotropic layer at the free volume interface and the planar layers at the solid interface. An increase in the size of this region does not alter the transition temperature. The shape of the liquid crystal molecules is dependent upon the degree of order and thus the nematic

Ball clay

Science.gov (United States)

Virta, R.L.

2001-01-01

Part of the 2000 annual review of the industrial minerals sector. A general overview of the ball clay industry is provided. In 2000, sales of ball clay reached record levels, with sanitary ware and tile applications accounting for the largest sales. Ball clay production, consumption, prices, foreign trade, and industry news are summarized. The outlook for the ball clay industry is also outlined.

Molecular dynamics of liquid crystals

Science.gov (United States)

Sarman, Sten

1997-02-01

We derive Green-Kubo relations for the viscosities of a nematic liquid crystal. The derivation is based on the application of a Gaussian constraint algorithm that makes the director angular velocity of a liquid crystal a constant of motion. Setting this velocity equal to zero means that a director-based coordinate system becomes an inertial frame and that the constraint torques do not do any work on the system. The system consequently remains in equilibrium. However, one generates a different equilibrium ensemble. The great advantage of this ensemble is that the Green-Kubo relations for the viscosities become linear combinations of time correlation function integrals, whereas they are complicated rational functions in the conventional canonical ensemble. This facilitates the numerical evaluation of the viscosities by molecular dynamics simulations.

Self-dispersed crumpled graphene balls in oil for friction and wear reduction.

Science.gov (United States)

Dou, Xuan; Koltonow, Andrew R; He, Xingliang; Jang, Hee Dong; Wang, Qian; Chung, Yip-Wah; Huang, Jiaxing

2016-02-09

Ultrafine particles are often used as lubricant additives because they are capable of entering tribological contacts to reduce friction and protect surfaces from wear. They tend to be more stable than molecular additives under high thermal and mechanical stresses during rubbing. It is highly desirable for these particles to remain well dispersed in oil without relying on molecular ligands. Borrowing from the analogy that pieces of paper that are crumpled do not readily stick to each other (unlike flat sheets), we expect that ultrafine particles resembling miniaturized crumpled paper balls should self-disperse in oil and could act like nanoscale ball bearings to reduce friction and wear. Here we report the use of crumpled graphene balls as a high-performance additive that can significantly improve the lubrication properties of polyalphaolefin base oil. The tribological performance of crumpled graphene balls is only weakly dependent on their concentration in oil and readily exceeds that of other carbon additives such as graphite, reduced graphene oxide, and carbon black. Notably, polyalphaolefin base oil with only 0.01-0.1 wt % of crumpled graphene balls outperforms a fully formulated commercial lubricant in terms of friction and wear reduction.

Direct Photolithography on Molecular Crystals for High Performance Organic Optoelectronic Devices.

Science.gov (United States)

Yao, Yifan; Zhang, Lei; Leydecker, Tim; Samorì, Paolo

2018-05-23

Organic crystals are generated via the bottom-up self-assembly of molecular building blocks which are held together through weak noncovalent interactions. Although they revealed extraordinary charge transport characteristics, their labile nature represents a major drawback toward their integration in optoelectronic devices when the use of sophisticated patterning techniques is required. Here we have devised a radically new method to enable the use of photolithography directly on molecular crystals, with a spatial resolution below 300 nm, thereby allowing the precise wiring up of multiple crystals on demand. Two archetypal organic crystals, i.e., p-type 2,7-diphenyl[1]benzothieno[3,2- b][1]benzothiophene (Dph-BTBT) nanoflakes and n-type N, N'-dioctyl-3,4,9,10-perylenedicarboximide (PTCDI-C8) nanowires, have been exploited as active materials to realize high-performance top-contact organic field-effect transistors (OFETs), inverter and p-n heterojunction photovoltaic devices supported on plastic substrate. The compatibility of our direct photolithography technique with organic molecular crystals is key for exploiting the full potential of organic electronics for sophisticated large-area devices and logic circuitries, thus paving the way toward novel applications in plastic (opto)electronics.

Suppressing Heavy Metal Leaching through Ball Milling of Fly Ash

Directory of Open Access Journals (Sweden)

Zhiliang Chen

2016-07-01

Full Text Available Ball milling is investigated as a method of reducing the leaching concentration (often termed stablilization of heavy metals in municipal solid waste incineration (MSWI fly ash. Three heavy metals (Cu, Cr, Pb loose much of their solubility in leachate by treating fly ash in a planetary ball mill, in which collisions between balls and fly ash drive various physical processes, as well as chemical reactions. The efficiency of stabilization is evaluated by analysing heavy metals in the leachable fraction from treated fly ash. Ball milling reduces the leaching concentration of Cu, Cr, and Pb, and water washing effectively promotes stabilization efficiency by removing soluble salts. Size distribution and morphology of particles were analysed by laser particle diameter analysis and scanning electron microscopy. X-ray diffraction analysis reveals significant reduction of the crystallinity of fly ash by milling. Fly ash particles can be activated through this ball milling, leading to a significant decrease in particle size, a rise in its BET-surface, and turning basic crystals therein into amorphous structures. The dissolution rate of acid buffering materials present in activated particles is enhanced, resulting in a rising pH value of the leachate, reducing the leaching out of some heavy metals.

Characterization of alkanes, hopanes, and polycyclic aromatic hydrocarbons (PAHs) in tar-balls collected from the East Coast of Peninsular Malaysia.

Science.gov (United States)

Chandru, Kuhan; Zakaria, Mohamad Pauzi; Anita, Sofia; Shahbazi, Azadeh; Sakari, Mahyar; Bahry, Pourya Shahpoury; Mohamed, Che Abd Rahim

2008-05-01

The East Coast of Peninsular Malaysia faces the South China Sea and is vulnerable to oil pollution because of intense petroleum production activities in the area. The South China Sea is also a favored route for supertankers carrying crude oil to the Far East. Consequently, oil spills can occur, causing pollution and contamination in the surrounding areas. Residual oil spills stranded on coastal beaches usually end up as tar-balls. Elucidating the sources of tar-balls using a molecular marker approach is essential in assessing environmental impacts and perhaps settling legal liabilities for affected parties. This study utilizes a multimodal molecular marker approach through the use of diagnostic ratios of alkanes, hopanes, and polycyclic aromatic hydrocarbons (PAHs) to determine the source, distribution and weathering of tar-balls. Hopane ratios (e.g., C29/C30, and summation C31-C35/C30 ratios) were used to identify the sources of tar-balls. The weathering effects were distinguished by using alkanes, namely the unresolved complex mixture (UCM) and low molecular weight/high molecular weight (L/H) ratios. Similarly, PAHs were also used for the determination of weathering processes undergone by the tar-balls. This multimodal molecular marker gave a very strong indication of the sources of tar-balls in this study. For example, 16 out of 17 samples originated from South East Asian Crude Oil (SEACO) with one sample from Merang, Terengganu originating from North Sea Oil (Troll). The TRME-2 sample may have come from a supertanker's ballast water discharge. The second possibility is that the tar-ball may have been transported via oceanographic currents. All 'weathered' sample characterizations were based on the presence of UCM and other ratios. The multimodal molecular marker approach applied in this study has enabled us to partially understand the transport behavior of tar-balls in the marine environment and has revealed insights into the weathering process of tar-balls.

Ball Nut Preload Diagnosis of the Hollow Ball Screw through Support Vector Machine

Directory of Open Access Journals (Sweden)

Yi-Cheng Huang

2018-01-01

Full Text Available This paper studies the diagnostic results of hollow ball screws with different ball nut preload through the support vector machine (SVM process. The method is testified by considering the use of ball screw pretension and different ball nut preload. SVM was used to discriminate the hollow ball screw preload status through the vibration signals and servo motor current signals. Maximum dynamic preloads of 2%, 4%, and 6% ball screws were predesigned, manufactured, and conducted experimentally. Signal patterns with different preload features are separatedby SVM. The irregularity development of the ball screw driving motion current and rolling balls vibration of the ball screw can be discriminated via SVM based on complexity perception. The experimental results successfully show that the prognostic status of ball nut preload can be envisaged by the proposed methodology. The smart reasoning for the health of the ball screw is available based on classification of SVM. This diagnostic method satisfies the purposes of prognostic effectiveness on knowing the ball nut preload status

Anisotropic frictional heating and defect generation in cyclotrimethylene-trinitramine molecular crystals

Science.gov (United States)

Rajak, Pankaj; Mishra, Ankit; Sheng, Chunyang; Tiwari, Subodh; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

2018-05-01

Anisotropic frictional response and corresponding heating in cyclotrimethylene-trinitramine molecular crystals are studied using molecular dynamics simulations. The nature of damage and temperature rise due to frictional forces is monitored along different sliding directions on the primary slip plane, (010), and on non-slip planes, (100) and (001). Correlations between the friction coefficient, deformation, and frictional heating are established. We find that the friction coefficients on slip planes are smaller than those on non-slip planes. In response to sliding on a slip plane, the crystal deforms easily via dislocation generation and shows less heating. On non-slip planes, due to the inability of the crystal to deform via dislocation generation, a large damage zone is formed just below the contact area, accompanied by the change in the molecular ring conformation from chair to boat/half-boat. This in turn leads to a large temperature rise below the contact area.

Machine learning for the structure-energy-property landscapes of molecular crystals.

Science.gov (United States)

Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

2018-02-07

Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

Response to Thermal Exposure of Ball-Milled Aluminum-Borax Powder Blends

Science.gov (United States)

Birol, Yucel

2013-04-01

Aluminum-borax powder mixtures were ball milled and heated above 873 K (600 °C) to produce Al-B master alloys. Ball-milled powder blends reveal interpenetrating layers of deformed aluminum and borax grains that are increasingly refined with increasing milling time. Thermal exposure of the ball-milled powder blends facilitates a series of thermite reactions between these layers. Borax, dehydrated during heating, is reduced by Al, and B thus generated reacts with excess Al to produce AlB2 particles dispersed across the aluminum grains starting at 873 K (600 °C). AlB2 particles start to form along the interface of the aluminum and borax layers. Once nucleated, these particles grow readily to become hexagonal-shaped crystals that traverse the aluminum grains with increasing temperatures as evidenced by the increase in the size as well as in the number of the AlB2 particles. Ball milling for 1 hour suffices to achieve a thermite reaction between borax and aluminum. Ball milling further does not impact the response of the powder blend to thermal exposure. The nucleation-reaction sites are multiplied, however, with increasing milling time and thus insure a higher number of smaller AlB2 particles. The size of the AlB2 platelets may be adjusted with the ball milling time.

Effect of polar surfaces on organic molecular crystals

Science.gov (United States)

Sharia, Onise; Tsyshevskiy, Roman; Kuklja, Maija; University of Maryland College Park Team

Polar oxide materials reveal intriguing opportunities in the field of electronics, superconductivity and nanotechnology. While behavior of polar surfaces has been widely studied on oxide materials and oxide-oxide interfaces, manifestations and properties of polar surfaces in molecular crystals are still poorly understood. Here we discover that the polar catastrophe phenomenon, known on oxides, also takes place in molecular materials as illustrated with an example of cyclotetramethylene tetranitramine (HMX) crystals. We show that the surface charge separation is a feasible compensation mechanism to counterbalance the macroscopic dipole moment and remove the electrostatic instability. We discuss the role of surface charge on degradation of polar surfaces, electrical conductivity, optical band-gap closure and surface metallization. Research is supported by the US ONR (Grants N00014-16-1-2069 and N00014-16-1-2346) and NSF. We used NERSC, XSEDE and MARCC computational resources.

Having a Ball with Fitness Balls

Science.gov (United States)

McNulty, Betty

2011-01-01

Fitness programs can be greatly enhanced with the addition of fitness balls. They are a fun, challenging, economical, and safe way to incorporate a cardiovascular, strength, and stretching program for all fitness levels in a physical education setting. The use of these balls has become more popular during the last decade, and their benefits and…

Determination of the Temperature Dependence of Heat Capacity for Some Molecular Crystals of Nitro Compounds

Science.gov (United States)

Kovalev, Yu. M.; Kuropatenko, V. F.

2018-05-01

An analysis of the existing approximations used for describing the dependence of heat capacity at a constant volume on the temperature of a molecular crystal has been carried out. It is shown that the considered Debye and Einstein approximations do not enable one to adequately describe the dependence of heat capacity at a constant volume on the temperature of the molecular crystals of nitro compounds. This inference requires the development of special approximations that would describe both low-frequency and high-frequency parts of the vibrational spectra of molecular crystals. This work presents a universal dependence allowing one to describe the dependence of heat capacity at a constant volume on temperature for a number of molecular crystals of nitro compounds.

Quantum dynamics of crystals of molecular magnets inside microwave resonators

Energy Technology Data Exchange (ETDEWEB)

Amigo, R.; Tejada, J.; Chudnovsky, E.M.; Hernandez, J.M.; Garcia-Santiago, A. E-mail: antonio@ubxlab.comtoni@ubxlab.com

2004-05-01

It is shown that crystals of molecular nanomagnets exhibit enhanced magnetic relaxation when placed inside a resonant cavity. Strong dependence of the magnetization curve on the geometry of the cavity has been observed, providing evidence of the coherent microwave radiation by the crystals. These observations open the possibility of building a nanomagnetic microwave laser pumped by the magnetic field.

Quantum dynamics of crystals of molecular magnets inside microwave resonators

International Nuclear Information System (INIS)

Amigo, R.; Tejada, J.; Chudnovsky, E.M.; Hernandez, J.M.; Garcia-Santiago, A.

2004-01-01

It is shown that crystals of molecular nanomagnets exhibit enhanced magnetic relaxation when placed inside a resonant cavity. Strong dependence of the magnetization curve on the geometry of the cavity has been observed, providing evidence of the coherent microwave radiation by the crystals. These observations open the possibility of building a nanomagnetic microwave laser pumped by the magnetic field

Crystal structure and pair potentials: A molecular-dynamics study

Energy Technology Data Exchange (ETDEWEB)

Parrinello, M.; Rahman, A.

1980-10-06

With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials lead to different crystal structures.

The incredible shrinking ball

Energy Technology Data Exchange (ETDEWEB)

Smith, Maurice

2011-12-15

In the oil and gas industry, the implementation of fracture systems using ball and seat technology helped make multistage fracturing possible. However, frac balls can obstruct later production flow by staying in the well. Baker Hughes Inc. developed a technology to solve this problem: IN-Tallic frac balls. The unique feature of these frac balls is that they are made of an electrolytic metallic nanostructured material which is light and strong and which melts away with salt water or brine through a decomposition process governed by electrochemical reactions controlled by nanoscale coatings. These balls need to be kept away from moisture in order to prevent degradation. This technology is more expensive than traditional frac balls but it prevents the need to mill out obstructions created by the balls. The IN-Tallic frac balls are a new technology which provides operators with peace of mind.

Influence of cation disorder on the magnetic properties of ball-milled ilmenite (FeTiO₃)

DEFF Research Database (Denmark)

Mørup, Steen; Rasmussen, Helge Kildahl; Brok, Erik

2012-01-01

We have investigated the evolution of crystal structure, cation disorder and magnetic properties of ilmenite (FeTiO3) after increasing time of high-energy ball-milling in an inert atmosphere. Refinement of X-ray diffraction data show that the hexagonal crystal structure of ilmenite is maintained...

Crystallization, X-ray diffraction analysis and SIRAS/molecular-replacenent phasing of three crystal forms of Anabaena sensory rhodopsin transducer

International Nuclear Information System (INIS)

Vogeley, Lutz; Luecke, Hartmut

2006-01-01

Crystals of Anabaena sensory rhodopsin transducer, the transducer for the cyanobacterial photosensor Anabaena sensory rhodopsin, obtained in the space groups P4, C2 and P2 1 2 1 2 1 diffract to 1.8, 2.1 and 2.0 Å, respectively. Phases for these crystal forms were obtained by SIRAS phasing using an iodide quick-soak derivative (P4) and molecular replacement (C2 and P2 1 2 1 2 1 ). Anabaena sensory rhodopsin transducer (ASRT) is a 14.7 kDa soluble signaling protein associated with the membrane-embedded light receptor Anabaena sensory rhodopsin (ASR) from Anabaena sp., a freshwater cyanobacterium. Crystals of ASRT were obtained in three different space groups, P4, C2 and P2 1 2 1 2 1 , which diffract to 1.8, 2.1 and 2.0 Å, respectively. Phases for one of these crystal forms (P4) were obtained by SIRAS phasing using an iodide quick-soak derivative and a partial model was built. Phases for the remaining crystal forms were obtained by molecular replacement using the partial model from the P4 crystal form

Study of molecular movements in some organic crystals by NMR

International Nuclear Information System (INIS)

Alexandre, M.

1971-01-01

After a discussion on molecular crystals (generalities, movements within molecular solids, study of movements, complexes by charge transfer) and some specific ones (molecular complexes of trinitrobenzene or TNB), this research thesis reports the use of nuclear magnetic resonance (NMR) to study molecular movements: generalities on broadband NMR, spin relaxation and strong field network, observation of the absorption signal and measurement of the second moment. The last part reports and discusses experimental results obtained on TNB-naphthalene, on TNB-azulene, on TNB-benzothiophene, and on TNB-indole

Lattice dynamics of a crystal with a molecular impurity

International Nuclear Information System (INIS)

Sahoo, D.; Venkataraman, G.

1975-01-01

The dynamics of a crystal containing a molecular impurity is discussed with allowance for the effects of internal vibrations of the molecule. Cartesian coordinates are used to describe internal vibrations, angular oscillations and centre of mass translations of the impurity, and the displacement of atoms of the host lattice. Next the Hamiltonian is set up and the equations of motion derived. In this process, use is made of Dirac brackets when dealing with vibrational coordinates (of the molecule) which have redundancy and constraints. A method of solution of the normal modes of the system is indicated by using the defect space matrixpartitioning technique. The special case of a rigid molecular impurity is then discussed along with the relevance of the present formalism in the interpretation of a recent neutron scattering experiment. It is also shown how the results of crystal-field approximation model and those of the molecular model approximation are obtained as further special cases of the present formalism. A comparison of the present work with those of others has been made. (author)

Charged Q-ball dark matter from B and L direction

Energy Technology Data Exchange (ETDEWEB)

Hong, Jeong-Pyong; Kawasaki, Masahiro [Institute for Cosmic Ray Research, The University of Tokyo,5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8582 (Japan); Kavli IPMU (WPI), UTIAS, The University of Tokyo,5-1-5 Kashiwanoha, Kashiwa, 277-8583 (Japan); Yamada, Masaki [Institute for Cosmic Ray Research, The University of Tokyo,5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8582 (Japan); Kavli IPMU (WPI), UTIAS, The University of Tokyo,5-1-5 Kashiwanoha, Kashiwa, 277-8583 (Japan); Department of Physics, Tohoku University,Sendai, Miyagi 980-8578 (Japan)

2016-08-24

We consider nearly equal number of gauge mediation type charged (anti-) Q-balls with charge of ±α{sup −1}≃±137 well before the BBN epoch and discussed how they evolve in time. We found that ion-like objects with electric charges of +O(1) are likely to become relics in the present universe, which we expect to be the dark matter. These are constrained by MICA experiment, where the trail of heavy atom-like or ion-like object in 10{sup 9} years old ancient mica crystals is not observed. We found that the allowed region for gauge mediation model parameter and reheating temperature have to be smaller than the case of the neutral Q-ball dark matter.

NONLINEAR OPTICAL MOLECULAR CRYSTAL BASED ON 2,6-DIAMINOPYRIDINE: SYNTHESIS AND CHARACTERIZATION

Directory of Open Access Journals (Sweden)

I. M. Pavlovetc

2014-05-01

Full Text Available The paper deals with investigation of a new nonlinear optical material based on nonlinear optical chromophore (4-Nitrophenol and aminopyridine (2,6-Diaminopyridine. Calculation results are presented for molecular packing in the crystalline compound, based on the given components. According to these results the finite material must have a noncentrosymmetric lattice, which determines the presence of the second order nonlinear optical response. Investigations carried out in this work confirm these calculations. Results of experiments are given describing the co-crystallization of these components and the following re-crystallization of the obtained material. In order to get a monocrystal form, the optimal conditions for the synthesis of molecular crystals based on these components are determined. Sufficiently large homogeneous crystals are obtained, that gave the possibility to record their spectra in the visible and near infrared parts of the spectrum, to determine their nonlinear optical properties and the level of homogeneity. Their optical (optical transmission and optical laser damage threshold and nonlinear optical properties are presented. For observation and measurement of the nonlinear optical properties an installation was built which implements the comparative method for measurements of nonlinear optical properties. A potassium titanyl oxide phosphate crystal was used as a sample for comparison. Results are given for the conversion efficiency of the primary laser radiation in the second optical harmonic relative to the signal obtained on the potassium titanyl oxide phosphate crystal. Obtained results show that the molecular co-crystal based on 2,6-Diaminopyridine is a promising nonlinear optical material for generating the second optical harmonic on the Nd: YAG laser (532 nm.

NATO Advanced Study Institute on Electronic Structure of Polymers and Molecular Crystals

CERN Document Server

Ladik, János

1975-01-01

The NATO Advanced Study Institute on "Electronic Structure of Polymers and Molecular Crystals" was held at the Facultes Universi­ taires de Namur (F.U.N.) from September 1st till September 14th, 1974. We wish to express our appreciation to the NATO Scientific Affairs Division whose generous support made this Institute possible and to the Facultes Universitaires de Namur and the Societe Chimique de Belgique which provided fellowships and travel grants to a number of students. This volume contains the main lectures about the basic principles of the field and about different recent developments of the theory of the electronic structure of polymers and molecular crystals. The school started with the presentation of the basic SCF-LCAO theory of the electronic structure of periodic polymers and molecular crystals (contributions by Ladik, Andre & Delhalle) showing how a combination of quantum chemical and solid state physical methods can provide band structures for these systems. The numerical aspects of these ...

Dolphin underwater bait-balling behaviors in relation to group and prey ball sizes.

Science.gov (United States)

Vaughn-Hirshorn, Robin L; Muzi, Elisa; Richardson, Jessica L; Fox, Gabriella J; Hansen, Lauren N; Salley, Alyce M; Dudzinski, Kathleen M; Würsig, Bernd

2013-09-01

We characterized dusky dolphin (Lagenorhynchus obscurus) feeding behaviors recorded on underwater video, and related behaviors to variation in prey ball sizes, dolphin group sizes, and study site (Argentina versus New Zealand, NZ). Herding behaviors most often involved dolphins swimming around the side or under prey balls, but dolphins in Argentina more often swam under prey balls (48% of passes) than did dolphins in NZ (34% of passes). This result may have been due to differences in group sizes between sites, since groups are larger in Argentina. Additionally, in NZ, group size was positively correlated with proportion of passes that occurred under prey balls (pdolphins in Argentina more often swam through prey balls (8% of attempts) than did dolphins in NZ (4% of attempts). This result may have been due to differences in prey ball sizes between sites, since dolphins fed on larger prey balls in Argentina (>74m(2)) than in NZ (maximum 33m(2)). Additionally, in NZ, dolphins were more likely to swim through prey balls to capture fish when they fed on larger prey balls (p=0.025). Copyright © 2013 Elsevier B.V. All rights reserved.

Molecular type channeling of relativistic electrons in crystals

International Nuclear Information System (INIS)

Vyatkin, E.G.; Filimonov, Yu.M.; Taratin, A.M.; Vorobiev, S.A.

1983-01-01

Channeling of relativistic electrons in direction in a diamond crystal and the channeling radiation spectra are investigated using computer simulation by the binary collision model and using the model of a continuum potential of the atomic rows. In a computer experiment the atomic- and molecular-type states of channeled elcetrons are revealed, and the orientational dependence of the electron trapping probability in these states is obtained. The peculiarities revealed of the angular distributions and radiation spectra of electrons in the molecular-type states allow to discover these states in the experiment. (author)

Golf Ball

Science.gov (United States)

1998-01-01

The Ultra 500 Series golf balls, introduced in 1995 by Wilson Sporting Goods Company, has 500 dimples arranged in a pattern of 60 spherical triangles. The design employs NASA's aerodynamics technology analysis of air loads of the tank and Shuttle orbiter that was performed under the Space Shuttle External Tank program. According to Wilson, this technology provides 'the most symmetrical ball surface available, sustaining initial velocity longer and producing the most stable ball flight for unmatched accuracy and distance.' The dimples are in three sizes, shapes and depths mathematically positioned for the best effect. The selection of dimples and their placement optimizes the interaction of opposing forces of lift and drag. Large dimples reduce air drag, enhance lift, and maintain spin for distance. Small dimples prevent excessive lift that destabilizes the ball flight and the medium size dimples blend the other two.

Styrofoam-and-Velcro: An Alternative to Ball-and-Stick Models

Directory of Open Access Journals (Sweden)

Sawyer Rowan Masonjones

2014-07-01

Full Text Available For students learning biology at introductory levels, one of the most significant instructional barriers is their lack of preparation in chemistry. In upper-division college chemistry and biology courses, students employ ball-and-stick models in order to visualize molecular structures, but at the introductory biology level, models are inconsistently used and at the secondary level they are avoided altogether. Traditional ball-and-stick models perform poorly at all levels because they only show bonds, never valence electrons. This poses a problem for students who are visual or kinesthetic learners, as modeling electrons in the bonding process may be critical to understanding the mechanisms behind the biochemical reactions that serve as a foundation for biological concepts. Our molecular modeling kits show the action of valence electrons and correctly deal with the issue of polarity and partial charge, while still illustrating structure and function similarly to ball-and-stick models, allowing students to model nearly every reaction or molecule they may need to learn.  Additionally, this kit will foster model building exercises required as part of the Next Generation Science Standards (http://www.nextgenscience.org/next-generation-science-standards. This model was devloped in conjunction with 'Molecular Twister: A Game for Exploring Solution Chemistry' (JMBE Vol 15, No 1; http://jmbe.asm.org/index.php/jmbe/article/view/652 by the same authors, which uses principles derived from the present paper.

Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study

KAUST Repository

Pan, Heng; Grigoropoulos, Costas

2014-01-01

Seeded crystallization and solidification in nanoscale confinement volumes have become an important and complex topic. Due to the complexity and limitations in observing nanoscale crystallization, computer simulation can provide valuable details for supporting and interpreting experimental observations. In this article, seeded crystallization from nano-confined liquid, as represented by the crystallization of a suspended gold nano-droplet seeded by a pre-existing gold nanocrystal seed, was investigated using molecular dynamics simulations in canonical (NVT) ensemble. We found that the crystallization temperature depends on nano-confinement volume, crystal orientation, and seed size as explained by classical two-sphere model and Gibbs-Thomson effect. © 2014 AIP Publishing LLC.

Crystallization in nano-confinement seeded by a nanocrystal—A molecular dynamics study

KAUST Repository

Pan, Heng

2014-03-14

Seeded crystallization and solidification in nanoscale confinement volumes have become an important and complex topic. Due to the complexity and limitations in observing nanoscale crystallization, computer simulation can provide valuable details for supporting and interpreting experimental observations. In this article, seeded crystallization from nano-confined liquid, as represented by the crystallization of a suspended gold nano-droplet seeded by a pre-existing gold nanocrystal seed, was investigated using molecular dynamics simulations in canonical (NVT) ensemble. We found that the crystallization temperature depends on nano-confinement volume, crystal orientation, and seed size as explained by classical two-sphere model and Gibbs-Thomson effect. © 2014 AIP Publishing LLC.

Simulation and understanding of atomic and molecular quantum crystals

Science.gov (United States)

Cazorla, Claudio; Boronat, Jordi

2017-07-01

Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (He 4 and Ne), molecular solids (H2 and CH4 ), and some ionic (LiH), covalent (graphite), and metallic (Li) crystals can be explained only in terms of quantum nuclear effects (QNE). A detailed comprehension of the nature of quantum solids is critical for achieving progress in a number of fundamental and applied scientific fields such as planetary sciences, hydrogen storage, nuclear energy, quantum computing, and nanoelectronics. This review describes the current physical understanding of quantum crystals formed by atoms and small molecules, as well as the wide palette of simulation techniques that are used to investigate them. Relevant aspects in these materials such as phase transformations, structural properties, elasticity, crystalline defects, and the effects of reduced dimensionality are discussed thoroughly. An introduction to quantum Monte Carlo techniques, which in the present context are the simulation methods of choice, and other quantum simulation approaches (e.g., path-integral molecular dynamics and quantum thermal baths) is provided. The overarching objective of this article is twofold: first, to clarify in which crystals and physical situations the disregard of QNE may incur in important bias and erroneous interpretations. And second, to promote the study and appreciation of QNE, a topic that traditionally has been treated in the context of condensed matter physics, within the broad and interdisciplinary areas of materials science.

Frictional performance of ball screw

International Nuclear Information System (INIS)

Nakashima, Katuhiro; Takafuji, Kazuki

1985-01-01

As feed screws, ball screws have become to be adopted in place of trapezoidal threads. The structure of ball screws is complex, but those are the indispensable component of NC machine tools and machining centers, and are frequently used for industrial robots. As the problems in the operation of ball screws, there are damage, life and the performance related to friction. As to the damage and life, though there is the problem of the load distribution on balls, the results of the research on rolling bearings are applied. The friction of ball screws consists of the friction of balls and a spiral groove, the friction of a ball and a ball, the friction in a ball-circulating mechanism and the viscous friction of lubricating oil. It was decided to synthetically examine the frictional performance of ball screws, such as driving torque, the variation of driving torque, efficiency, the formation of oil film and so on, under the working condition of wide range, using the screws with different accuracy and the nuts of various circuit number. The experimental setup and the processing of the experimental data, the driving performance of ball screws and so on are reported. (Kako, I.)

Individual ball possession in soccer.

Directory of Open Access Journals (Sweden)

Daniel Link

Full Text Available This paper describes models for detecting individual and team ball possession in soccer based on position data. The types of ball possession are classified as Individual Ball Possession (IBC, Individual Ball Action (IBA, Individual Ball Control (IBC, Team Ball Possession (TBP, Team Ball Control (TBC und Team Playmaking (TPM according to different starting points and endpoints and the type of ball control involved. The machine learning approach used is able to determine how long the ball spends in the sphere of influence of a player based on the distance between the players and the ball together with their direction of motion, speed and the acceleration of the ball. The degree of ball control exhibited during this phase is classified based on the spatio-temporal configuration of the player controlling the ball, the ball itself and opposing players using a Bayesian network. The evaluation and application of this approach uses data from 60 matches in the German Bundesliga season of 2013/14, including 69,667 IBA intervals. The identification rate was F = .88 for IBA and F = .83 for IBP, and the classification rate for IBC was κ = .67. Match analysis showed the following mean values per match: TBP 56:04 ± 5:12 min, TPM 50:01 ± 7:05 min and TBC 17:49 ± 8:13 min. There were 836 ± 424 IBC intervals per match and their number was significantly reduced by -5.1% from the 1st to 2nd half. The analysis of ball possession at the player level indicates shortest accumulated IBC times for the central forwards (0:49 ± 0:43 min and the longest for goalkeepers (1:38 ± 0:58 min, central defenders (1:38 ± 1:09 min and central midfielders (1:27 ± 1:08 min. The results could improve performance analysis in soccer, help to detect match events automatically, and allow discernment of higher value tactical structures, which is based on individual ball possession.

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

Science.gov (United States)

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

2010-01-13

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

Determination of the Dalitz-plot parameter {alpha} for the decay {eta}{yields}3{pi}{sup 0} with the Crystal Ball at MAMI; Bestimmung des Dalitz-Plot-Parameters {alpha} fuer den Zerfall {eta} {yields} 3{pi}{sup 0} mit dem Crystal Ball am MAMI

Energy Technology Data Exchange (ETDEWEB)

Unverzagt, Marc

2008-05-26

In order to determine the Dalitz-plot parameter {alpha} experiments were evaluated, Which were performed with the Crystal Ball/TAPS facility at the accelerator MAMI of the Institute for Nuclear Physics at the Johannes Gutenberg University in Mainz in the years 2004 and 2005. {eta} mesons wer produced via the reaction {gamma}p{yields}{eta}p. From four different analyses the following four in this thesis determined Dalitz-plot parameters with the given statistics resulted: {eta} without proton: {alpha}=-0.0314{+-}0.0013{sub -0.0014}{sup +0.0017} (1.1.10{sup 6} events), {eta} with proton: {alpha}=-0.0338{+-}0.0020{sub -0.0022}{sup +0.0019} (4.2.10{sup 5} events), {delta}{sup +} magnetic dipole moment without proton: {alpha}=-0.0277{+-}0.0013{sub -0.0019}{sup +0.0014} (7.1.10{sup 5} events), {delta}{sup +} magnetic dipole moment with proton: {alpha}=-0.0272{+-}0.0019{sub -0.0043}{sup +0.0022} (3.1.10{sup 5} events).

Synthesis of free standing nanocrystalline Cu by ball milling at cryogenic temperature

Energy Technology Data Exchange (ETDEWEB)

Barai, K. [Department of Metallurgy and Materials Engineering, Bengal Engineering College, Shibpur, Howrah 711103 (India); Tiwary, C.S. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India); Chattopadhyay, P.P. [Department of Metallurgy and Materials Engineering, Bengal Engineering College, Shibpur, Howrah 711103 (India); Chattopadhyay, K., E-mail: kamanio@materials.iisc.ernet.in [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India)

2012-12-15

This paper reports for the first time synthesis of free standing nano-crystalline copper crystals of a {approx}30-40 nm by ball milling of copper powder at 150 K under Argon atmosphere in a specially designed cryomill. The detailed characterization of these particles using multiple techniques that includes transmission electron microscopy confirms our conclusion. Careful analysis of the chemistry of these particles indicates that these particles are essentially contamination free. Through the analysis of existing models of grain size refinements during ball milling and low temperature deformation, we argue that the suppression of thermal processes and low temperature leads to formation of free nanoparticles as the process of fracture dominates over possible cold welding at low temperatures.

Molecular Weight and Crystallization Temperature Effects on Poly(ethylene terephthalate (PET Homopolymers, an Isothermal Crystallization Analysis

Directory of Open Access Journals (Sweden)

Leonardo A. Baldenegro-Perez

2014-02-01

Full Text Available The isothermal crystallization of poly(ethylene terephthalate (PET homopolymers with different molecular weight was studied in a wide temperature range (140–230 °C using different experimental techniques. Three different morphological regions, labeled r1, r2 and r3, were distinguished as a function of crystallization temperature (Tc. In r1 (low Tc crystallized samples were characterized by a low crystalline degree with a small spherulite texture containing thin crystals. In r2 (intermediate Tc samples showed medium size spherulites composed of two distinct crystalline families (thin and thick crystals. In this temperature range, the crystallization exhibited a maximum value and it was associated with a high content of secondary crystals. In r3 (high Tc, samples presented considerable amorphous zones and regions consisting of oversized spherulites containing only thick crystals. Time-resolved wide-angle X-ray diffraction measurements, using synchrotron radiation, indicated a rapid evolution of the crystalline degree within the second region, in contrast with the quite slow evolution observed in the third region. On the other hand, by small-angle X-ray scattering (SAXS and time-resolved SAXS experiment, it was found that the long period (L as well as the lamellar thickness (lc increase as a function of Tc, corroborating the formation of the thickest crystals in the third region. From all these observations, a morphological model was proposed for each region.

Molecular dynamics studies of the ion beam induced crystallization in silicon

International Nuclear Information System (INIS)

Marques, L.A.; Caturla, M.J.; Huang, H.

1995-01-01

We have studied the ion bombardment induced amorphous-to-crystal transition in silicon using molecular dynamics techniques. The growth of small crystal seeds embedded in the amorphous phase has been monitored for several temperatures in order to get information on the effect of the thermal temperature increase introduced by the incoming ion. The role of ion-induced defects on the growth has been also studied

Ceramic Rail-Race Ball Bearings

Science.gov (United States)

Balzer, Mark A.; Mungas, Greg S.; Peters, Gregory H.

2010-01-01

Non-lubricated ball bearings featuring rail races have been proposed for use in mechanisms that are required to function in the presence of mineral dust particles in very low-pressure, dry environments with extended life. Like a conventional ball bearing, the proposed bearing would include an inner and an outer ring separated by balls in rolling contact with the races. However, unlike a conventional ball bearing, the balls would not roll in semi-circular or gothic arch race grooves in the rings: instead, the races would be shaped to form two or more rails (see figure). During operation, the motion of the balls would push dust particles into the spaces between the rails where the particles could not generate rolling resistance for the balls

Effect of a ball skill intervention on children's ball skills and cognitive functions.

Science.gov (United States)

Westendorp, Marieke; Houwen, Suzanne; Hartman, Esther; Mombarg, Remo; Smith, Joanne; Visscher, Chris

2014-02-01

This study examined the effect of a 16-wk ball skill intervention on the ball skills, executive functioning (in terms of problem solving and cognitive flexibility), and in how far improved executive functioning leads to improved reading and mathematics performance of children with learning disorders. Ninety-one children with learning disorders (age 7-11 yr old) were recruited from six classes in a Dutch special-needs primary school. The six classes were assigned randomly either to the intervention or to the control group. The control group received the school's regular physical education lessons. In the intervention group, ball skills were practiced in relative static, simple settings as well as in more dynamic and cognitive demanding settings. Both groups received two 40-min lessons per week. Children's scores on the Test of Gross Motor Development-2 (ball skills), Tower of London (problem solving), Trail Making Test (cognitive flexibility), Dutch Analysis of Individual Word Forms (reading), and the Dutch World in Numbers test (mathematics) at pretest, posttest, and retention test were used to examine intervention effects. The results showed that the intervention group significantly improved their ball skills, whereas the control group did not. No intervention effects were found on the cognitive parameters. However, within the intervention group, a positive relationship (r = 0.41, P = 0.007) was found between the change in ball skill performance and the change in problem solving: the larger children's improvement in ball skills, the larger their improvement in problem solving. The present ball skill intervention is an effective instrument to improve the ball skills of children with learning disorders. Further research is needed to examine the effect of the ball skill intervention on the cognitive parameters in this population.

Study of new occurrences of plastic (ball) clays from northeastern Brazil for use in refractory ceramics; Estudo de novas ocorrencias de argilas plasticas (ball clays) do nordeste do Brasil para uso em ceramicas refratarias

Energy Technology Data Exchange (ETDEWEB)

Cartaxo, J.M.; Bastos, P. de M.; Santana, L.N.L.; Menezes, R.R.; Neves, G.A.; Ferreira, H.C., E-mail: julianamelo25@gmail.com, E-mail: paulos@cstr.ufcg.edu.br, E-mail: lisiane.navarro@ufcg.edu.br, E-mail: romualdo.menezes@ufcg.edu.br, E-mail: gelmires.neves@ufcg.edu.br, E-mail: heber.ferreira@ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais

2016-10-15

The northeast of Brazil has large deposits of ball clays generally situated in Barreiras Formation and are used in white ceramic and refractory materials. These clays are composed of secondary kaolinite and organic matter, being very plastic and when subjected to elevated temperatures burn with white colors and present phase transformations showing mainly crystals formation of mullite and cristobalite. This work aims to study new deposits of ball clays in order to use them to refractory materials production. The clays were characterized by laser diffraction, X-ray diffraction (XRD), X-ray fluorescence, refractoriness, thermal analysis, and scanning electron microscopy (SEM). The samples were pressed and sintered at 1000, 1150, 1250, 1280 and 1400 °C. The characterization after firing was carried out by XRD and SEM. Then, the physical and mechanical properties - absorption, porosity and flexural strength, were determined. The results showed that the clays presented formation of mullite crystals with physical, chemical and mineralogical properties suitable for use in refractory ceramics. (author)

Comprehensive characterization of ball-milled powders simulating a tribofilm system

Energy Technology Data Exchange (ETDEWEB)

Häusler, I., E-mail: ines.haeusler@bam.de; Dörfel, I., E-mail: Ilona.doerfel@bam.de; Peplinski, B., E-mail: Burkhard.peplinski@bam.de; Dietrich, P.M., E-mail: Paul.dietrich@yahoo.de; Unger, W.E.S., E-mail: Wolfgang.Unger@bam.de; Österle, W., E-mail: Werner.Oesterle@bam.de

2016-01-15

A model system was used to simulate the properties of tribofilms which form during automotive braking. The model system was prepared by ball milling of a blend of 70 vol.% iron oxides, 15 vol.% molybdenum disulfide and 15 vol.% graphite. The resulting mixture was characterized by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and various transmission electron microscopic (TEM) methods, including energy dispersive X-ray spectroscopy (EDXS), high resolution investigations (HRTEM) with corresponding simulation of the HRTEM images, diffraction methods such as scanning nano-beam electron diffraction (SNBED) and selected area electron diffraction (SAED). It could be shown that the ball milling caused a reduction of the grain size of the initial components to the nanometer range. Sometimes even amorphization or partial break-down of the crystal structure was observed for MoS{sub 2} and graphite. Moreover, chemical reactions lead to a formation of surface coverings of the nanoparticles by amorphous material, molybdenum oxides, and iron sulfates as derived from XPS. - Highlights: • Ball milling of iron oxides, MoS{sub 2}, and graphite to simulate a tribofilm • Increasing coefficient of friction after ball milling of the model blend • Drastically change of the diffraction pattern of the powder mixture • TEM & XPS showed the components of the milled mixture and the process during milling. • MoS{sub 2} and graphite suffered a loss in translation symmetry or became amorphous.

Carbon-based micro-ball and micro-crystal deposition using filamentary pulsed atmospheric pressure plasma

International Nuclear Information System (INIS)

Pothiraja, Ramasamy; Bibinov, Nikita; Awakowicz, Peter

2014-01-01

Thin plasma filaments are produced by the propagation of ionization waves from a spiked driven electrode in a quartz tube in an argon/methane gas mixture (2400 sccm/2 sccm) at atmospheric pressure. The position of the touch point of filaments on the substrate surface is controlled in our experiment by applying various suitable substrate configurations and geometries of the grounded electrode. The gas conditions at the touch point are varied from argon to ambient air. Based on microphotography and discharge current waveforms, the duration of the filament touching the substrate is estimated to be about one microsecond. Carbon-based materials are deposited during this time at the touch points on the substrate surface. Micro-balls are produced if the filament touch points are saved from ambient air by the argon flow. Under an air admixture, micro-crystals are formed. The dimension of both materials is approximately one micrometre (0.5–2 µm) and corresponds to about 10 10 –10 12 carbon atoms. Neither the diffusion of neutral species nor drift of ions can be reason for the formation of such a big micro-material during this short period of filament–substrate interaction. It is possible that charged carbon-based materials are formed in the plasma channel and transported to the surface of the substrate. The mechanism of this transport and characterization of micro-materials, which are formed under different gas conditions in our experiment, will be studied in the future. (paper)

Effect of ball milling time on thermoelectric properties of bismuth telluride nanomaterials

Science.gov (United States)

Khade, Poonam; Bagwaiya, Toshi; Bhattacharaya, Shovit; Singh, Ajay; Jha, Purushottam; Shelke, Vilas

2018-04-01

The effect of different milling time on thermoelectric properties of bismuth telluride (Bi2Te3) was investigated. The nanomaterial was prepared by varying the ball milling time and followed by hot press sintering. The crystal structure and phase formation were verified by X-ray diffraction and Raman Spectroscopy. The experimental results show that electrical conductivity increases whereas thermal conductivity decreases with increasing milling time. The negative sign of seebeck coefficient indicate the n-type nature with majority charge carriers of electrons. A maximum figure of merit about 0.55 is achieved for l5hr ball milled Bi2Te3 sample. The present study demonstrates the simple and cost-effective method for synthesis of Bi2Te3 thermoelectric material at large scale thermoelectric applications.

Optical and Acoustic Sensor-Based 3D Ball Motion Estimation for Ball Sport Simulators †

Directory of Open Access Journals (Sweden)

Sang-Woo Seo

2018-04-01

Full Text Available Estimation of the motion of ball-shaped objects is essential for the operation of ball sport simulators. In this paper, we propose an estimation system for 3D ball motion, including speed and angle of projection, by using acoustic vector and infrared (IR scanning sensors. Our system is comprised of three steps to estimate a ball motion: sound-based ball firing detection, sound source localization, and IR scanning for motion analysis. First, an impulsive sound classification based on the mel-frequency cepstrum and feed-forward neural network is introduced to detect the ball launch sound. An impulsive sound source localization using a 2D microelectromechanical system (MEMS microphones and delay-and-sum beamforming is presented to estimate the firing position. The time and position of a ball in 3D space is determined from a high-speed infrared scanning method. Our experimental results demonstrate that the estimation of ball motion based on sound allows a wider activity area than similar camera-based methods. Thus, it can be practically applied to various simulations in sports such as soccer and baseball.

Molecular Complex of Lumiflavin and 2-Aminobenzoic Acid : Crystal Structure, Crystal Spectra, and Solution Properties

OpenAIRE

Shieh, Huey-Sheng; Ghisla, Sandro; Hanson, Louise Karle; Ludwig, Martha L.; Nordman, Christer E.

1981-01-01

The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N402●C7H7N02●H2O)crystallizes from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 Å, c = 7.045 Å, α = 95.44°, β = 95.86°, and γ = 105.66°. The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating l...

The bowling balls

CERN Multimedia

CERN Bulletin

2010-01-01

10 November 1972: CERN’s Bent Stumpe places an order for 12 bowling balls for a total cost of 95 US dollars. Although not evident at first sight, he is buying the heart of some of the first tracking devices to be used in the SPS control room. Today, Bent Stumpe’s device would be called a desktop mouse…   The first order for 4 bowling balls later changed to 12 balls. The bowling balls became the heart of Bent Stumpe's mouse. Almost 40 years ago, the web, Wikipedia and Google did not exist and it was much more difficult to know whether other people in other parts of the world or even in the same laboratory were facing the same problems or developing the same tools. At that time, Bent Stumpe was an electronics engineer, newly recruited to work on developments for the SPS Central Control room. One of the things his supervisor asked him to build as soon as possible was a device to control a pointer on a screen, also called a tracker ball. The heart of the device was the...

The spinning ball spiral

International Nuclear Information System (INIS)

Dupeux, Guillaume; Le Goff, Anne; Quere, David; Clanet, Christophe

2010-01-01

We discuss the trajectory of a fast revolving solid ball moving in a fluid of comparable density. As the ball slows down owing to drag, its trajectory follows an exponential spiral as long as the rotation speed remains constant: at the characteristic distance L where the ball speed is significantly affected by the drag, the bending of the trajectory increases, surprisingly. Later, the rotation speed decreases, which makes the ball follow a second kind of spiral, also described in the paper. Finally, the use of these highly curved trajectories is shown to be relevant to sports.

NMR and molecular dynamics of small solutes in liquid crystals

International Nuclear Information System (INIS)

Luyten, P.R.

1984-01-01

NMR relaxation measurements, using a wide variety of modern pulse techniques, can yield valuable information about molecular motions. In this thesis the applicability of theories developed to describe spin relaxation phenomena in partially ordered media is studied for small solutes in liquid crystals. 1 H, 2 H, 13 C and 14 N relaxation measurements are interpreted by means of a model, in which fast anisotropic re-orientational motion in an orienting potential combined with contributions from cooperative fluctuations in the surrounding liquid crystal molecules, induce the observed frequency dependent relaxation behavior. (orig.)

Compact Q-balls

Energy Technology Data Exchange (ETDEWEB)

Bazeia, D., E-mail: bazeia@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil); Losano, L.; Marques, M.A. [Departamento de Física, Universidade Federal da Paraíba, 58051-970 João Pessoa, PB (Brazil); Menezes, R. [Departamento de Ciências Exatas, Universidade Federal da Paraíba, 58297-000 Rio Tinto, PB (Brazil); Departamento de Física, Universidade Federal de Campina Grande, 58109-970 Campina Grande, PB (Brazil); Rocha, R. da [Centro de Matemática, Computação e Cognição, Universidade Federal do ABC, 09210-580 Santo André (Brazil)

2016-07-10

In this work we deal with non-topological solutions of the Q-ball type in two space–time dimensions, in models described by a single complex scalar field that engenders global symmetry. The main novelty is the presence of stable Q-balls solutions that live in a compact interval of the real line and appear from a family of models controlled by two distinct parameters. We find analytical solutions and study their charge and energy, and show how to control the parameters to make the Q-balls classically and quantum mechanically stable.

Determination of structure and properties of molecular crystals from first principles.

Science.gov (United States)

Szalewicz, Krzysztof

2014-11-18

CONSPECTUS: Until recently, it had been impossible to predict structures of molecular crystals just from the knowledge of the chemical formula for the constituent molecule(s). A solution of this problem has been achieved using intermolecular force fields computed from first principles. These fields were developed by calculating interaction energies of molecular dimers and trimers using an ab initio method called symmetry-adapted perturbation theory (SAPT) based on density-functional theory (DFT) description of monomers [SAPT(DFT)]. For clusters containing up to a dozen or so atoms, interaction energies computed using SAPT(DFT) are comparable in accuracy to the results of the best wave function-based methods, whereas the former approach can be applied to systems an order of magnitude larger than the latter. In fact, for monomers with a couple dozen atoms, SAPT(DFT) is about equally time-consuming as the supermolecular DFT approach. To develop a force field, SAPT(DFT) calculations are performed for a large number of dimer and possibly also trimer configurations (grid points in intermolecular coordinates), and the interaction energies are then fitted by analytic functions. The resulting force fields can be used to determine crystal structures and properties by applying them in molecular packing, lattice energy minimization, and molecular dynamics calculations. In this way, some of the first successful determinations of crystal structures were achieved from first principles, with crystal densities and lattice parameters agreeing with experimental values to within about 1%. Crystal properties obtained using similar procedures but empirical force fields fitted to crystal data have typical errors of several percent due to low sensitivity of empirical fits to interactions beyond those of the nearest neighbors. The first-principles approach has additional advantages over the empirical approach for notional crystals and cocrystals since empirical force fields can only be

Molecular reorientation of dye doped nematic liquid crystals in the laser illumination

International Nuclear Information System (INIS)

San, S. E.; Koeysal, O.; Ecevit, F. N.

2002-01-01

In this study it is investigated how dye doped nematic liquid crystals reorient under the illumination of laser beam whose wavelength is appropriate to absorbance characteristics of the doping dye. Nematic liquid crystal E7 is used with anthraquinone dye 1% wt/wt in the preparation of the sample and this material is filled in homegenously aligned measurement cell having 15 μm thickness. Mechanism of molecular reorientation includes the absorbance effects of the energy of laser by doping dye and this reorientation causes the refractive index of the material to be changed. There are potential application possibilities of such molecular reorientation based effects in nonlinear optics such as real time holography whose basis is grating diffraction that is observed and investigated in the frame of fundamentals of molecule light interaction mechanisms. Experimental analyses allowed finding characteristic values of diffraction signals depending on physical parameters of set up for a dye doped liquid crystal system and this system provided a 20 % diffraction efficiency under the optimum circumstances

Polarizability of acetanilide and RDX in the crystal: effect of molecular geometry

Science.gov (United States)

Tsiaousis, D.; Munn, R. W.; Smith, P. J.; Popelier, P. L. A.

2004-10-01

Density-functional theory with the B3LYP functional at the 6-311++G** level is used to calculate the dipole moment and the static polarizability for acetanilide and 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) in their in-crystal structures. For acetanilide the dipole moment is 2{1}/{2}% larger than for the gas-phase structure and for RDX (where there is a gross geometry change) it is 15% larger. The polarizability for the in-crystal structure is smaller than for the gas-phase structure by 3% for both species, whereas the in-crystal effective optical polarizability is larger than the gas-phase static polarizability for both crystals. Hence, effects in addition to the molecular geometry change in the crystal must be considered in order to interpret the effective polarizability completely.

DGR, GGR; molecular dynamical codes for simulating radiation damages in diamond and graphite crystals

International Nuclear Information System (INIS)

Taji, Yukichi

1984-06-01

Development has been made of molecular dynamical codes DGR and GGR to simulate radiation damages yielded in the diamond and graphite structure crystals, respectively. Though the usual molecular dynamical codes deal only with the central forces as the mutual interactions between atoms, the present codes can take account of noncentral forces to represent the effect of the covalent bonds characteristic of diamond or graphite crystals. It is shown that lattice defects yielded in these crystals are stable by themselves in the present method without any supports of virtual surface forces set on the crystallite surfaces. By this effect the behavior of lattice defects has become possible to be simulated in a more realistic manner. Some examples of the simulation with these codes are shown. (author)

An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

International Nuclear Information System (INIS)

Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

2016-01-01

An empirically parameterized intermolecular force field is developed for crystal structure modelling and prediction. The model is optimized for use with an atomic multipole description of electrostatic interactions. We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%

CRYSTAL AND MOLECULAR STRUCTURE OF 5-NITROPIRIDINE PIPERIDINE-SULFENAMIDE

OpenAIRE

Brito, Iván; León, Yasna; Arias, Mauricio; Vargas, Danitza; Carmona, Francisco; Ramírez, Eduardo; Restovic, Ambrosio; Cárdenas, Alejandro; Wittke, Oscar; López-Rodríguez, Matías

2002-01-01

The crystal and molecular structure of 5-nitropiridine piperidine-sulfenamide, C10H13N3O2 S is described and compared with other sulfenamides and with other similar compounds. This structure belongs to a type of divalent sulphur compound and crystallizes in the orthorhombic space group Pnma with a= 27.810(4), b=6.797(1), c=6.110(1)Å, and Dx =1.376 g cm-3 with Z=4. The S-N bond distance of 1.699(4) Å is shorter than a single S-N bond [1.74 Å]. The NO2-(C6H3N)-S-N(C 5H10) molecule lies on a cry...

Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

Science.gov (United States)

Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

2017-11-01

Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

Synthesis, crystal growth and characterization of bioactive material: 2- Amino-1H-benzimidazolium pyridine-3-carboxylate single crystal- a proton transfer molecular complex

Science.gov (United States)

Fathima, K. Saiadali; Kavitha, P.; Anitha, K.

2017-09-01

The 1:1 molecular adducts 2- Amino-1H-benzimidazolium pyridine-3-carboxylate (2ABPC) was synthesized and grown as single crystal where 2-aminobenzimidazole (ABI) acts as a donor and nicotinic acid (NA) acts as an acceptor. The presence of proton and carbon were predicted using 1H and 13C NMR spectral analysis. The molecular structure of the crystal was elucidated by subjecting the grown crystals to the single crystal x-ray diffraction analysis and was refined by full matrix least-squares method to R = 0.038 for 2469 reflections. The vibrational modes of functional group have been studied using FTIR and Raman spectroscopic analysis. The UV-Vis spectrum exhibited a visible band at 246 nm for 2ABPC due to the nicotinate anion of the molecule. Further, the antimicrobial activity of 2ABPC complex against B. subtilis, klebsiella pneumonia, Pseudomonas eruginos and E. coli pathogens was investigated. Minimum Inhibitory Concentration (MIC) for this crystal was obtained using UV spectrometer against MRSA pathogen. It was found that the benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of 2ABPC crystal.

Optical Absorption in Molecular Crystals from Time-Dependent Density Functional Theory

Science.gov (United States)

2017-04-23

Our approach represents a full solid-state calculation, allowing for polarization ef- fects while still capable of capturing inter-molecular dis...AFRL-AFOSR-UK-TR-2017-0030 Optical absorption in molecular crystals from time-dependent density functional theory Leeor Kronik WEIZMANN INSTITUTE OF...from time-dependent density functional theory 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-15-1-0290 5c.  PROGRAM ELEMENT NUMBER 61102F 6. AUTHOR(S

Variational cellular model of the molecular and crystal electronic structure

International Nuclear Information System (INIS)

Ferreira, L.G.; Leite, J.R.

1977-12-01

A variational version of the cellular method is developed to calculate the electronic structure of molecules and crystals. Due to the simplicity of the secular equation, the method is easy to be implemented. Preliminary calculations on the hydrogen molecular ion suggest that it is also accurate and of fast convergence [pt

LHC gets the ball rolling

CERN Multimedia

2007-01-01

A technique involving a small ball with a transmitter embedded inside it has been successfully tested in Sector 7-8. The ball is sent through the LHC beam pipes to check the LHC interconnections. The multidisciplinary team responsible for the RF ball project to check the interconnections. From left to right: Rhodri Jones (AB/BI), Eva Calvo (AB/BI), Francesco Bertinelli (AT/MCS), Sonia Bartolome Jimenez (TS/IC), Sylvain Weisz (TS/IC), Paul Cruikshank (AT/VAC), Willemjan Maan (AT/VAC), Alain Poncet (AT/MCS), Marek Gasior (AB/BI). During the tests the ball is inserted very carefully into the vacuum chamber.A game of ping-pong at the LHC? On 13 September a rather unusual test was carried out in Sector 7-8 of the accelerator. A ball just a bit smaller than a ping-pong ball was carefully introduced into one of the accelerator’s two vacuum pipes, where it travelled 800 metres in the space of a few mi...

Anomalous doping of a molecular crystal monitored with confocal fluorescence microscopy: Terrylene in a p-terphenyl crystal

Science.gov (United States)

Białkowska, Magda; Deperasińska, Irena; Makarewicz, Artur; Kozankiewicz, Bolesław

2017-09-01

Highly terrylene doped single crystals of p-terphenyl, obtained by co-sublimation of both components, showed bright spots in the confocal fluorescence images. Polarization of the fluorescence excitation spectra, blinking and bleaching, and saturation behavior allowed us to attribute them to single molecules of terrylene anomalously embedded between two neighbor layers of the host crystal, in the (a,b) plane. Such an orientation of terrylene molecules results in much more efficient absorption and collection of the fluorescence photons than in the case of previously investigated molecules embedded in the substitution sites. The above conclusion was supported by quantum chemistry calculations. We postulate that the kind of doping considered in this work should be possible in other molecular crystals where the host molecules are organized in a herringbone pattern.

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

Science.gov (United States)

Li, Xiayue; Curtis, Farren S.; Rose, Timothy; Schober, Christoph; Vazquez-Mayagoitia, Alvaro; Reuter, Karsten; Oberhofer, Harald; Marom, Noa

2018-06-01

We present Genarris, a Python package that performs configuration space screening for molecular crystals of rigid molecules by random sampling with physical constraints. For fast energy evaluations, Genarris employs a Harris approximation, whereby the total density of a molecular crystal is constructed via superposition of single molecule densities. Dispersion-inclusive density functional theory is then used for the Harris density without performing a self-consistency cycle. Genarris uses machine learning for clustering, based on a relative coordinate descriptor developed specifically for molecular crystals, which is shown to be robust in identifying packing motif similarity. In addition to random structure generation, Genarris offers three workflows based on different sequences of successive clustering and selection steps: the "Rigorous" workflow is an exhaustive exploration of the potential energy landscape, the "Energy" workflow produces a set of low energy structures, and the "Diverse" workflow produces a maximally diverse set of structures. The latter is recommended for generating initial populations for genetic algorithms. Here, the implementation of Genarris is reported and its application is demonstrated for three test cases.

The Goldenrod Ball Gall

Science.gov (United States)

Fischer, Richard B.

1974-01-01

The paper presents a generalized life history of the goldenrod ball gall, a ball-shaped swelling found almost exclusively on the Canada goldenrod, Solidago canadensis, and caused by a peacock fly know as Eurosta soldiaginis. (KM)

Charge transport in organic molecular semiconductors from first principles: The bandlike hole mobility in a naphthalene crystal

Science.gov (United States)

Lee, Nien-En; Zhou, Jin-Jian; Agapito, Luis A.; Bernardi, Marco

2018-03-01

Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry methods based on charge hopping, which are laborious and only moderately accurate. We compute from first principles the electron-phonon scattering and the phonon-limited hole mobility of naphthalene crystal in the framework of ab initio band theory. Our calculations combine GW electronic bandstructures, ab initio electron-phonon scattering, and the Boltzmann transport equation. The calculated hole mobility is in very good agreement with experiment between 100 -300 K , and we can predict its temperature dependence with high accuracy. We show that scattering between intermolecular phonons and holes regulates the mobility, though intramolecular phonons possess the strongest coupling with holes. We revisit the common belief that only rigid molecular motions affect carrier dynamics in organic molecular crystals. Our paper provides a quantitative and rigorous framework to compute charge transport in organic crystals and is a first step toward reconciling band theory and carrier hopping computational methods.

Collective flow effects observed with the Plastic Ball

International Nuclear Information System (INIS)

Gustafsson, H.A.; Gutbrod, H.H.; Kolb, B.

1984-01-01

At the Bevalac, collisions of Ca + Ca and Nb + Nb at 400 MeV/nucleon have been studied with the Plastic Ball/Plastic Wall detector. The Plastic Ball covers the angular region between 10 0 and 160 0 . It consists of 815 detectors where each module is a ΔE-E telescope capable of identifying the hydrogen and helium isotopes and positive pions. The ΔE measurement is performed with a 4-mm thick CaF crystal and the E counter is a 36-cm long plastic scintillator. Both signals are read out by a single photomultiplier tube. Due to the different decay times of the two scintillators, ΔE and E information can be separated by gating two different ADC-s at different times. The positive pions are additionally identified by measuring the delayed decay. The Platic Wall, placed 6 m downstream from the target, covers the angular range from 0 0 to 10 0 and measures time of flight, energy loss and position of the reaction products. In addition, the information from the inner counters (0 0 to 2 0 ) is used to produce a trigger signal. Data show two different collection effects

A new measurement of the rare decay eta -> pi^0 gamma gamma with the Crystal Ball/TAPS detectors at the Mainz Microtron

Energy Technology Data Exchange (ETDEWEB)

Nefkens, B M; Prakhov, S; Aguar-Bartolom��, P; Annand, J R; Arends, H J; Bantawa, K; Beck, R; Bekrenev, V; Bergh��user, H; Braghieri, A; Briscoe, W J; Brudvik, J; Cherepnya, S; Codling, R F; Collicott, C; Costanza, S; Danilkin, I V; Denig, A; Demissie, B; Dieterle, M; Downie, E J; Drexler, P; Fil' kov, L V; Fix, A; Garni, S; Glazier, D I; Gregor, R; Hamilton, D; Heid, E; Hornidge, D; Howdle, D; Jahn, O; Jude, T C; Kashevarov, V L; K��ser, A; Keshelashvili, I; Kondratiev, R; Korolija, M; Kotulla, M; Koulbardis, A; Kruglov, S; Krusche, B; Lisin, V; Livingston, K; MacGregor, I J; Maghrbi, Y; Mancel, J; Manley, D M; McNicoll, E F; Mekterovic, D; Metag, V; Mushkarenkov, A; Nikolaev, A; Novotny, R; Oberle, M; Ortega, H; Ostrick, M; Ott, P; Otte, P B; Oussena, B; Pedroni, P; Polonski, A; Robinson, J; Rosner, G; Rostomyan, T; Schumann, S; Sikora, M H; Starostin, A; Strakovsky, I I; Strub, T; Suarez, I M; Supek, I; Tarbert, C M; Thiel, M; Thomas, A; Unverzagt, M; Watts, D P; Werthmueller, D; Witthauer, L

2014-08-01

A new measurement of the rare, doubly radiative decay eta->pi^0 gamma gamma was conducted with the Crystal Ball and TAPS multiphoton spectrometers together with the photon tagging facility at the Mainz Microtron MAMI. New data on the dependence of the partial decay width, Gamma(eta->pi^0 gamma gamma), on the two-photon invariant mass squared, m^2(gamma gamma), as well as a new, more precise value for the decay width, Gamma(eta->pi^0 gamma gamma) = (0.33+/-0.03_tot) eV, are based on analysis of 1.2 x 10^3 eta->pi^0 gamma gamma decays from a total of 6 x 10^7 eta mesons produced in the gamma p -> eta p reaction. The present results for dGamma(eta->pi^0 gamma gamma)/dm^2(gamma gamma) are in good agreement with previous measurements and recent theoretical calculations for this dependence.

Dynamics of a Bouncing Ball

Science.gov (United States)

Liang, Shiuan-Ni; Lan, Boon Leong

The dynamics of a bouncing ball undergoing repeated inelastic impacts with a table oscillating vertically in a sinusoidal fashion is studied using Newtonian mechanics and general relativistic mechanics. An exact mapping describes the bouncing ball dynamics in each theory. We show, contrary to expectation, that the trajectories predicted by Newtonian mechanics and general relativistic mechanics from the same parameters and initial conditions for the ball bouncing at low speed in a weak gravitational field can rapidly disagree completely. The bouncing ball system could be realized experimentally to test which of the two different predicted trajectories is correct.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

Energy Technology Data Exchange (ETDEWEB)

Goto, Kaname [Department of Electronics, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp [Faculty of Electrical Engineering and Electronics, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yanagi, Hisao [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Yamao, Takeshi; Hotta, Shu [Faculty of Materials Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan)

2016-08-08

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

Science.gov (United States)

Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

2016-08-01

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ˜100 meV even in the "half-vertical cavity surface emitting lasing" microcavity structure.

Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

International Nuclear Information System (INIS)

Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

2016-01-01

Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

Purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies of great cormorant (Phalacrocorax carbo) haemoglobin

International Nuclear Information System (INIS)

Jagadeesan, G.; Malathy, P.; Gunasekaran, K.; Harikrishna Etti, S.; Aravindhan, S.

2014-01-01

The great cormorant hemoglobin has been isolated, purified and crystallized and the three dimensional structure is solved using molecular replacement technique. Haemoglobin is the iron-containing oxygen-transport metalloprotein that is present in the red blood cells of all vertebrates. In recent decades, there has been substantial interest in attempting to understand the structural basis and functional diversity of avian haemoglobins. Towards this end, purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies have been carried out on cormorant (Phalacrocorax carbo) haemoglobin. Crystals were grown by the hanging-drop vapour-diffusion method using PEG 3350, NaCl and glycerol as precipitants. The crystals belonged to the trigonal system P3 1 21, with unit-cell parameters a = b = 55.64, c = 153.38 Å, β = 120.00°; a complete data set was collected to a resolution of 3.5 Å. Matthews coefficient analysis indicated that the crystals contained a half-tetramer in the asymmetric unit

Purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies of great cormorant (Phalacrocorax carbo) haemoglobin

Energy Technology Data Exchange (ETDEWEB)

Jagadeesan, G. [Presidency College, Chennai 600 005 (India); Malathy, P.; Gunasekaran, K. [University of Madras, Chennai 600 025 (India); Harikrishna Etti, S. [GKM College of Engineering and Technology, Kamaraj Salai, Chennai 600 063 (India); Aravindhan, S., E-mail: aravindhanpresidency@gmail.com [Presidency College, Chennai 600 005 (India)

2014-10-25

The great cormorant hemoglobin has been isolated, purified and crystallized and the three dimensional structure is solved using molecular replacement technique. Haemoglobin is the iron-containing oxygen-transport metalloprotein that is present in the red blood cells of all vertebrates. In recent decades, there has been substantial interest in attempting to understand the structural basis and functional diversity of avian haemoglobins. Towards this end, purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies have been carried out on cormorant (Phalacrocorax carbo) haemoglobin. Crystals were grown by the hanging-drop vapour-diffusion method using PEG 3350, NaCl and glycerol as precipitants. The crystals belonged to the trigonal system P3{sub 1}21, with unit-cell parameters a = b = 55.64, c = 153.38 Å, β = 120.00°; a complete data set was collected to a resolution of 3.5 Å. Matthews coefficient analysis indicated that the crystals contained a half-tetramer in the asymmetric unit.

Simulation of ball motion and energy transfer in a planetary ball mill

International Nuclear Information System (INIS)

Lu Sheng-Yong; Mao Qiong-Jing; Li Xiao-Dong; Yan Jian-Hua; Peng Zheng

2012-01-01

A kinetic model is proposed for simulating the trajectory of a single milling ball in a planetary ball mill, and a model is also proposed for simulating the local energy transfer during the ball milling process under no-slip conditions. Based on the kinematics of ball motion, the collision frequency and power are described, and the normal impact forces and effective power are derived from analyses of collision geometry. The Hertzian impact theory is applied to formulate these models after having established some relationships among the geometric, dynamic, and thermophysical parameters. Simulation is carried out based on two models, and the effects of the rotation velocity of the planetary disk Ω and the vial-to-disk speed ratio ω/Ω on other kinetic parameters is investigated. As a result, the optimal ratio ω/Ω to obtain high impact energy in the standard operating condition at Ω = 800 rpm is estimated, and is equal to 1.15. (interdisciplinary physics and related areas of science and technology)

Ceramic ball grid array package stress analysis

Science.gov (United States)

Badri, S. H. B. S.; Aziz, M. H. A.; Ong, N. R.; Sauli, Z.; Alcain, J. B.; Retnasamy, V.

2017-09-01

The ball grid array (BGA), a form of chip scale package (CSP), was developed as one of the most advanced surface mount devices, which may be assembled by an ordinary surface ball bumps are used instead of plated nickel and gold (Ni/Au) bumps. Assembly and reliability of the BGA's printed circuit board (PCB), which is soldered by conventional surface mount technology is considered in this study. The Ceramic Ball Grid Array (CBGA) is a rectangular ceramic package or square-shaped that will use the solder ball for external electrical connections instead of leads or wire for connections. The solder balls will be arranged in an array or grid at the bottom of the ceramic package body. In this study, ANSYS software is used to investigate the stress on the package for 2 balls and 4 balls of the CBGA package with the various force range of 1-3 Newton applied to the top of the die, top of the substrate and side of the substrate. The highest maximum stress was analyzed and the maximum equivalent stress was observed on the solder ball and the die. From the simulation result, the CBGA package with less solder balls experience higher stress compared to the package with many solder balls. Therefore, less number of solder ball on the CBGA package results higher stress and critically affect the reliability of the solder balls itself, substrate and die which can lead to the solder crack and also die crack.

Experiment-scale molecular simulation study of liquid crystal thin films

Science.gov (United States)

Nguyen, Trung Dac; Carrillo, Jan-Michael Y.; Matheson, Michael A.; Brown, W. Michael

2014-03-01

Supercomputers have now reached a performance level adequate for studying thin films with molecular detail at the relevant scales. By exploiting the power of GPU accelerators on Titan, we have been able to perform simulations of characteristic liquid crystal films that provide remarkable qualitative agreement with experimental images. We have demonstrated that key features of spinodal instability can only be observed with sufficiently large system sizes, which were not accessible with previous simulation studies. Our study emphasizes the capability and significance of petascale simulations in providing molecular-level insights in thin film systems as well as other interfacial phenomena.

Studying the Impact of Modified Saccharides on the Molecular Dynamics and Crystallization Tendencies of Model API Nifedipine.

Science.gov (United States)

Kaminska, E; Tarnacka, M; Wlodarczyk, P; Jurkiewicz, K; Kolodziejczyk, K; Dulski, M; Haznar-Garbacz, D; Hawelek, L; Kaminski, K; Wlodarczyk, A; Paluch, M

2015-08-03

Molecular dynamics of pure nifedipine and its solid dispersions with modified carbohydrates as well as the crystallization kinetics of active pharmaceutical ingredient (API) above and below the glass transition temperature were studied in detail by means of broadband dielectric spectroscopy (BDS), differential scanning calorimetry (DSC), and X-ray diffraction method. It was found that the activation barrier of crystallization increases in molecular dispersions composed of acetylated disaccharides, whereas it slightly decreases in those consisting of modified monocarbohydrates for the experiments carried out above the glass transition temperature. As shown by molecular dynamics simulations it can be related to the strength, character, and structure of intermolecular interactions between API and saccharides, which vary dependently on the excipient. Long-term physical stability studies showed that, in solid dispersions consisting of acetylated maltose and acetylated sucrose, the crystallization of nifedipine is dramatically slowed down, although it is still observable for a low concentration of excipients. With increasing content of modified carbohydrates, the crystallization of API becomes completely suppressed. This is most likely due to additional barriers relating to the intermolecular interactions and diffusion of nifedipine that must be overcome to trigger the crystallization process.

Structure and Stability of Molecular Crystals with Many-Body Dispersion-Inclusive Density Functional Tight Binding.

Science.gov (United States)

Mortazavi, Majid; Brandenburg, Jan Gerit; Maurer, Reinhard J; Tkatchenko, Alexandre

2018-01-18

Accurate prediction of structure and stability of molecular crystals is crucial in materials science and requires reliable modeling of long-range dispersion interactions. Semiempirical electronic structure methods are computationally more efficient than their ab initio counterparts, allowing structure sampling with significant speedups. We combine the Tkatchenko-Scheffler van der Waals method (TS) and the many-body dispersion method (MBD) with third-order density functional tight-binding (DFTB3) via a charge population-based method. We find an overall good performance for the X23 benchmark database of molecular crystals, despite an underestimation of crystal volume that can be traced to the DFTB parametrization. We achieve accurate lattice energy predictions with DFT+MBD energetics on top of vdW-inclusive DFTB3 structures, resulting in a speedup of up to 3000 times compared with a full DFT treatment. This suggests that vdW-inclusive DFTB3 can serve as a viable structural prescreening tool in crystal structure prediction.

Interaction of Tenebrio Molitor Antifreeze Protein with Ice Crystal: Insights from Molecular Dynamics Simulations.

Science.gov (United States)

Ramya, L; Ramakrishnan, Vigneshwar

2016-07-01

Antifreeze proteins (AFP) observed in cold-adapting organisms bind to ice crystals and prevent further ice growth. However, the molecular mechanism of AFP-ice binding and AFP-inhibited ice growth remains unclear. Here we report the interaction of the insect antifreeze protein (Tenebrio molitor, TmAFP) with ice crystal by molecular dynamics simulation studies. Two sets of simulations were carried out at 263 K by placing the protein near the primary prism plane (PP) and basal plane (BL) of the ice crystal. To delineate the effect of temperatures, both the PP and BL simulations were carried out at 253 K as well. The analyses revealed that the protein interacts strongly with the ice crystal in BL simulation than in PP simulation both at 263 K and 253 K. Further, it was observed that the interactions are primarily mediated through the interface waters. We also observed that as the temperature decreases, the interaction between the protein and the ice increases which can be attributed to the decreased flexibility and the increased structuring of the protein at low temperature. In essence, our study has shed light on the interaction mechanism between the TmAFP antifreeze protein and the ice crystal. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

2012 Problem 15: Frustrating Golf Ball

Science.gov (United States)

Huang, Shan; Zhu, Zheyuan; Gao, Wenli; Wang, Sihui

2015-10-01

This paper studies the condition for a golf ball to escape from a hole. The two determining factors are the ball's initial velocity v0 and its deviation from the center of the hole d. There is a critical escaping velocity vc for every deviation d. The ball's motion is analyzed by calculating the change of velocity whenever the ball collides with the hole. The critical conditions predicted by our theory are verified through experiment.

Formation of the molecular crystal structure during the vacuum sublimation of paracetamol

Science.gov (United States)

Belyaev, A. P.; Rubets, V. P.; Antipov, V. V.; Bordei, N. S.

2015-04-01

The results from structural and thermal studies on the formation of molecular crystals during the vacuum sublimation of paracetamol from its vapor phase are given. It is established that the vapor-crystal phase transition proceeds in a complicated way as the superposition of two phase transitions: a first-order phase transition with a change in density, and a second-order phase transition with a change in ordering. It is shown that the latter is a smeared phase transition that proceeds with the formation of a pretransitional phase that is irreversibly dissipated during phase transformation, leading to the formation of crystals of the rhombic syngony. Data from differential scanning calorimetry and X-ray diffraction analysis are presented along with microphotographs.

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

Science.gov (United States)

Sosso, Gabriele C; Chen, Ji; Cox, Stephen J; Fitzner, Martin; Pedevilla, Philipp; Zen, Andrea; Michaelides, Angelos

2016-06-22

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and length scales, atomistic computer simulations can provide unique insights into the microscopic aspects of crystallization. In this review, we take stock of the numerous molecular dynamics simulations that, in the past few decades, have unraveled crucial aspects of crystal nucleation in liquids. We put into context the theoretical framework of classical nucleation theory and the state-of-the-art computational methods by reviewing simulations of such processes as ice nucleation and the crystallization of molecules in solutions. We shall see that molecular dynamics simulations have provided key insights into diverse nucleation scenarios, ranging from colloidal particles to natural gas hydrates, and that, as a result, the general applicability of classical nucleation theory has been repeatedly called into question. We have attempted to identify the most pressing open questions in the field. We believe that, by improving (i) existing interatomic potentials and (ii) currently available enhanced sampling methods, the community can move toward accurate investigations of realistic systems of practical interest, thus bringing simulations a step closer to experiments.

Melting of superheated molecular crystals

Science.gov (United States)

Cubeta, Ulyana; Bhattacharya, Deepanjan; Sadtchenko, Vlad

2017-07-01

Melting dynamics of micrometer scale, polycrystalline samples of isobutane, dimethyl ether, methyl benzene, and 2-propanol were investigated by fast scanning calorimetry. When films are superheated with rates in excess of 105 K s-1, the melting process follows zero-order, Arrhenius-like kinetics until approximately half of the sample has transformed. Such kinetics strongly imply that melting progresses into the bulk via a rapidly moving solid-liquid interface that is likely to originate at the sample's surface. Remarkably, the apparent activation energies for the phase transformation are large; all exceed the enthalpy of vaporization of each compound and some exceed it by an order of magnitude. In fact, we find that the crystalline melting kinetics are comparable to the kinetics of dielectric α-relaxation in deeply supercooled liquids. Based on these observations, we conclude that the rate of non-isothermal melting for superheated, low-molecular-weight crystals is limited by constituent diffusion into an abnormally dense, glass-like, non-crystalline phase.

Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

KAUST Repository

Miller, Nichole Cates

2012-09-05

The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Use of X-ray diffraction, molecular simulations, and spectroscopy to determine the molecular packing in a polymer-fullerene bimolecular crystal

KAUST Repository

Miller, Nichole Cates; Cho, Eunkyung; Junk, Matthias J N; Gysel, Roman; Risko, Chad; Kim, Dongwook; Sweetnam, Sean; Miller, Chad E.; Richter, Lee J.; Kline, Regis Joseph; Heeney, Martin J.; McCulloch, Iain A.; Amassian, Aram; Acevedo-Feliz, Daniel; Knox, Christopher; Hansen, Michael Ryan; Dudenko, Dmytro V.; Chmelka, Bradley F.; Toney, Michael F.; Bré das, Jean Luc; McGehee, Michael D.

2012-01-01

The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which introduce twists and bends along the polymer backbone and 1D electron-conducting fullerene channels. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of a ball skill intervention on children's ball skills and cognitive functions

NARCIS (Netherlands)

Westendorp-Haverdings, Marieke; Houwen, Suzanne; Hartman, Esther; Mombarg, Remo; Smith, Joanne; Visscher, Chris

Purpose: This study examined the effect of a 16-wk ball skill intervention on the ball skills, executive functioning (in terms of problem solving and cognitive flexibility), and in how far improved executive functioning leads to improved reading and mathematics performance of children with learning

Ball mounting fixture for a roundness gage

Science.gov (United States)

Gauler, Allen L.; Pasieka, Donald F.

1983-01-01

A ball mounting fixture for a roundness gage is disclosed. The fixture includes a pair of chuck assemblies oriented substantially transversely with respect to one another and mounted on a common base. Each chuck assembly preferably includes a rotary stage and a wobble plate affixed thereto. A ball chuck affixed to each wobble plate is operable to selectively support a ball to be measured for roundness, with the wobble plate permitting the ball chuck to be tilted to center the ball on the axis of rotation of the rotary stage. In a preferred embodiment, each chuck assembly includes a vacuum chuck operable to selectively support the ball to be measured for roundness. The mounting fixture enables a series of roundness measurements to be taken with a conventional rotating gagehead roundness instrument, which measurements can be utilized to determine the sphericity of the ball.

Giant slip at liquid-liquid interfaces using hydrophobic ball bearings.

Science.gov (United States)

Ehlinger, Quentin; Joly, Laurent; Pierre-Louis, Olivier

2013-03-08

Liquid-gas-liquid interfaces stabilized by hydrophobic beads behave as ball bearings under shear and exhibit a giant slip. Using a scaling analysis and molecular dynamics simulations we predict that, when the contact angle θ between the beads and the liquid is large, the slip length diverges as Rρ(-1)(π-θ)(-3) where R is the bead radius, and ρ is the bead density.

Structure and magnetism of SmCo5 nanoflakes prepared by surfactant-assisted ball milling with different ball sizes

International Nuclear Information System (INIS)

Nie, Junwu; Han, Xianghua; Du, Juan; Xia, Weixing; Zhang, Jian; Guo, Zhaohui; Yan, Aru; Li, Wei; Ping Liu, J.

2013-01-01

Anisotropic magnetic SmCo 5 nanoflakes have been fabricated by surfactant-assisted ball milling (SABM) using hardened steel balls of one of the following sizes: 4, 6.5, 9.5 and 12.7 mm in diameters. The magnetic properties of SmCo 5 particles prepared by SABM with different milling ball sizes in diameters were investigated systematically. It was showed that the nanoflakes milled by amount of small size balls had a higher coercivity and lower anisotropy, i.e., worse grain orientation although in a short milling time while the nanoflakes prepared with same weight of big balls tend to have a lower coercivity, better grain orientation. The coercivity mechanism of the nanoflake was studied and it was mainly dominated with the domain-wall pinning. The SEM analysis shows that the morphology of nanoflakes prepared with different ball sizes are almost the same when the balls to powder weight ratio is fixed. The different magnetic properties caused by different ball sizes are mainly due to the different microstructure changes, i.e, grain refinement and c-axis orientation, which are demonstrated by X-ray diffraction (XRD) analysis and transmission electron microscope (TEM). Based on the experiments above, a combined milling process was suggested and done to improve magnetic properties as your need. - Highlights: • We fabricated anisotropic magnetic SmCo 5 nanoflakes by surfactant-assisted ball milling (SABM). • We investigated the magnetic properties of SmCo 5 particles systematically. It was showed that the coercivity, high or low, and grain orientation, good or bad, were influenced strongly by balls size. The different magnetisms caused by different ball sizes is mainly due to the different microstructure changes. • The coercivity mechanism of the nanoflake was studied and it was mainly dominated with the domain-wall pinning

Studies of Phase Transformation in Molecular Crystals Using the Positron Annihilation Technique

DEFF Research Database (Denmark)

Eldrup, Morten Mostgaard; Lightbody, David; Sherwood, John N.

1980-01-01

An examination has been made of the brittle/plastic phase transformation in the molecular crystals cyclohexane, DL-camphene and succinonitrile using the positron annihilation technique. In each material, the transition is characterized by a distinct increase in ortho-positronium lifetime. The inf...

Study of soccer ball flight trajectory

Directory of Open Access Journals (Sweden)

Javorova Juliana

2018-01-01

Full Text Available In this paper the trajectories of a soccer ball for the most important kicks in the football game - a corner kick and a direct free kick are studied. The soccer ball is modelled as an ideal rigid hollow spherical body with six degrees of freedom, which performs a general motion in an immovable air environment with constant parameters. The ball 3D orientation is determined by the three Cardan angles. The aerodynamic forces and moments with which the air environment acts to the ball are taken into account. Two of the most dangerous areas of the football goal are defined. Differential equations which describe the motion of the soccer ball are solved numerically by MatLab-Simulink.

Respiratory disease in ball pythons (Python regius) experimentally infected with ball python nidovirus.

Science.gov (United States)

Hoon-Hanks, Laura L; Layton, Marylee L; Ossiboff, Robert J; Parker, John S L; Dubovi, Edward J; Stenglein, Mark D

2018-04-01

Circumstantial evidence has linked a new group of nidoviruses with respiratory disease in pythons, lizards, and cattle. We conducted experimental infections in ball pythons (Python regius) to test the hypothesis that ball python nidovirus (BPNV) infection results in respiratory disease. Three ball pythons were inoculated orally and intratracheally with cell culture isolated BPNV and two were sham inoculated. Antemortem choanal, oroesophageal, and cloacal swabs and postmortem tissues of infected snakes were positive for viral RNA, protein, and infectious virus by qRT-PCR, immunohistochemistry, western blot and virus isolation. Clinical signs included oral mucosal reddening, abundant mucus secretions, open-mouthed breathing, and anorexia. Histologic lesions included chronic-active mucinous rhinitis, stomatitis, tracheitis, esophagitis and proliferative interstitial pneumonia. Control snakes remained negative and free of clinical signs throughout the experiment. Our findings establish a causal relationship between nidovirus infection and respiratory disease in ball pythons and shed light on disease progression and transmission. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Jacobian elliptic wave solutions in an anharmonic molecular crystal model

International Nuclear Information System (INIS)

Teh, C.G.R.; Lee, B.S.; Koo, W.K.

1997-07-01

Explicit Jacobian elliptic wave solutions are found in the anharmonic molecular crystal model for both the continuum limit and discrete modes. This class of wave solutions include the famous pulse-like and kink-like solitary modes. We would also like to report on the existence of some highly discrete staggered solitary wave modes not found in the continuum limit. (author). 9 refs, 1 fig

Spatially resolved analysis of short-range structure perturbations in a plastically bent molecular crystal

Science.gov (United States)

Panda, Manas K.; Ghosh, Soumyajit; Yasuda, Nobuhiro; Moriwaki, Taro; Mukherjee, Goutam Dev; Reddy, C. Malla; Naumov, Panče

2015-01-01

The exceptional mechanical flexibility observed with certain organic crystals defies the common perception of single crystals as brittle objects. Here, we describe the morphostructural consequences of plastic deformation in crystals of hexachlorobenzene that can be bent mechanically at multiple locations to 360° with retention of macroscopic integrity. This extraordinary plasticity proceeds by segregation of the bent section into flexible layers that slide on top of each other, thereby generating domains with slightly different lattice orientations. Microscopic, spectroscopic and diffraction analyses of the bent crystal showed that the preservation of crystal integrity when stress is applied on the (001) face requires sliding of layers by breaking and re-formation of halogen-halogen interactions. Application of stress on the (100) face, in the direction where π···π interactions dominate the packing, leads to immediate crystal disintegration. Within a broader perspective, this study highlights the yet unrecognized extraordinary malleability of molecular crystals with strongly anisotropic supramolecular interactions.

Supersymmetric Q-balls theory and cosmology

CERN Document Server

Kusenko, A

1999-01-01

MSSM predicts the existence of Q-balls, some of which can be entirely stable. Both stable and unstable Q-balls can play an important role in cosmology. In particular, Affleck-Dine baryogenesis can result in a copious production of stable baryonic Q-balls, which can presently exist as a form of dark matter.

The relationships between impact location and post-impact ball speed, bat torsion, and ball direction in cricket batting.

Science.gov (United States)

Peploe, C; McErlain-Naylor, S A; Harland, A R; King, M A

2018-06-01

Three-dimensional kinematic data of bat and ball were recorded for 239 individual shots performed by twenty batsmen ranging from club to international standard. The impact location of the ball on the bat face was determined and assessed against the resultant instantaneous post-impact ball speed and measures of post-impact bat torsion and ball direction. Significant negative linear relationships were found between post-impact ball speed and the absolute distance of impact from the midline medio-laterally and sweetspot longitudinally. Significant cubic relationships were found between the distance of impact from the midline of the bat medio-laterally and both a measure of bat torsion and the post-impact ball direction. A "sweet region" on the bat face was identified whereby impacts within 2 cm of the sweetspot in the medio-lateral direction, and 4.5 cm in the longitudinal direction, caused reductions in ball speed of less than 6% from the optimal value, and deviations in ball direction of less than 10° from the intended target. This study provides a greater understanding of the margin for error afforded to batsmen, allowing researchers to assess shot success in more detail, and highlights the importance of players generating consistently central impact locations when hitting for optimal performance.

Relation Between Hertz Stress-Life Exponent, Ball-Race Conformity, and Ball Bearing Life

Science.gov (United States)

Zaretsky, Erwin V.; Poplawski, Joseph V.; Root, Lawrence E.

2008-01-01

ANSI/ABMA and ISO standards based on Lundberg-Palmgren bearing life theory are normalized for ball bearings having inner- and outerrace conformities of 52 percent (0.52) and made from pre-1940 bearing steel. The Lundberg-Palmgren theory incorporates an inverse 9th power relation between Hertz stress and fatigue life for ball bearings. The effect of race conformity on ball set life independent of race life is not incorporated into the Lundberg-Palmgren theory. In addition, post-1960 vacuum-processed bearing steel exhibits a 12th power relation between Hertz stress and life. The work reported extends the previous work of Zaretsky, Poplawski, and Root to calculate changes in bearing life--that includes the life of the ball set--caused by race conformity, Hertz stress-life exponent, ball bearing type and bearing series. The bearing fatigue life in actual application will usually be equal to or greater than that calculated using the ANSI/ABMA and ISO standards that incorporate the Lundberg-Palmgren theory. The relative fatigue life of an individual race is more sensitive to changes in race conformity for Hertz stress-life exponent n of 12 than where n = 9. However, when the effects are combined to predict actual bearing life for a specified set of conditions and bearing geometry, the predicted life of the bearing will be greater for a value of n = 12 than n = 9.

The Oseen-Frank Limit of Onsager's Molecular Theory for Liquid Crystals

Science.gov (United States)

Liu, Yuning; Wang, Wei

2018-03-01

We study the relationship between Onsager's molecular theory, which involves the effects of nonlocal molecular interactions and the Oseen-Frank theory for nematic liquid crystals. Under the molecular setting, we prove the existence of global minimizers for the generalized Onsager's free energy, subject to a nonlocal boundary condition which prescribes the second moment of the number density function near the boundary. Moreover, when the re-scaled interaction distance tends to zero, the global minimizers will converge to a uniaxial distribution predicted by a minimizing harmonic map. This is achieved through the investigations of the compactness property and the boundary behaviors of the corresponding second moments. A similar result is established for critical points of the free energy that fulfill a natural energy bound.

Partial amorphization of an α-FeCr alloy by ball-milling

International Nuclear Information System (INIS)

Loureiro, J. M.; Costa, B. F. O.; Caer, G. Le; Delcroix, P.

2008-01-01

The structural changes of near-equiatomic α-FeCr alloys, ground in a vibratory mill in vacuum and in argon, were followed as a function of milling time. An amorphous phase forms in both cases but at a much faster rate when milling in argon than when milling in vacuum. Amorphisation by ball-milling of α-FeCr alloys is deduced to be an intrinsic phenomenon which is however speeded-up by oxygen. The amorphous phase crystallizes into a bcc Cr-rich phase and a bcc Fe-rich phase when annealed for short times.

Laboratory demonstration of ball lightning

International Nuclear Information System (INIS)

Egorov, Anton I; Stepanov, Sergei I; Shabanov, Gennadii D

2004-01-01

A common laboratory facility for creating glowing flying plasmoids akin to a natural ball lightning, allowing a number of experiments to be performed to investigate the main properties of ball lightning, is described. (methodological notes)

Dielectric relaxation spectra of liquid crystals in relation to molecular structure

International Nuclear Information System (INIS)

Wrobel, S.

1986-07-01

The dielectric spectra obtained for some members of two homologous series, i.e. for di-alkoxyazoxybenzenes and penthyl-alkoxythiobenzoates, are discussed qualitatively on the basis of the Nordio-Rigatti-Segre diffusion model. It is additionally assumed that the molecular reorientations take place about the principal axes of the inertia tensor. The distribution of correlation times, which is strongly temperature dependent in the vicinity of the clearing point, is interpreted as being caused by fluctuations of the principal axes frame which are due to conformation changes inside the end chains. The Bauer equation is used to describe both principal molecular reorientations, i.e. the reorientations about the long and short axis, observed in liquid crystalline structure by means of dielectric relaxation methods. The energies and entropies of activation have been computed for both principal reorientations. The differences between the high frequency limit of the dielectric permittivity and the refractive index squared of liquid crystals are explained in terms of two librational motions of the molecules observed by other experimental techniques, viz. far infra-red, Raman and inelastic neutron scattering spectroscopies, and found in this work on the basis of dielectrically measured energy barriers. It has been shown qualitatively that intramolecular libratory motions greatly effect the high frequency dielectric spectrum. Finally, molecular motions in liquid crystals are divided into two types: coherent and incoherent. 127 refs., 56 figs., 17 tabs. (author)

Molecular and crystal structure of 3,4-dihydroxy-2-oxo-1-methyl-4-phenylpiperidine

International Nuclear Information System (INIS)

Kuleshova, L.N.; Khrustalev, V.N.; Struchkov, Yu.T.; Soldatenkov, A.T.; Bekro, I.A.; Mamyrbekova, Zh.A.; Soldatova, S.A.

1996-01-01

The molecular and crystal structure of 3,4-dihydroxy-2-oxo-1-methyl-4-phenylpiperidine was determined. The crystal is orthorhombic: sp. gr. Pca21; a=15.764, b=5.635, and c=25.536 A; and Z=8. The structure was solved by direct methods; R1=0.051, for 2643 unique refections. Symmetry-independent molecules are related by a pseudocenter of symmetry. The piperidine cycle has an asymmetric half-chair conformation. The orientation of substituents is determined. In the crystal, intermolecular OH...O hydrogen bonds link the molecules into chains parallel to the Y-axis

A systematic study of ball passing frequencies based on dynamic modeling of rolling ball bearings with localized surface defects

Science.gov (United States)

Niu, Linkai; Cao, Hongrui; He, Zhengjia; Li, Yamin

2015-11-01

Ball passing frequencies (BPFs) are very important features for condition monitoring and fault diagnosis of rolling ball bearings. The ball passing frequency on outer raceway (BPFO) and the ball passing frequency on inner raceway (BPFI) are usually calculated by two well-known kinematics equations. In this paper, a systematic study of BPFs of rolling ball bearings is carried out. A novel method for accurately calculating BPFs based on a complete dynamic model of rolling ball bearings with localized surface defects is proposed. In the used dynamic model, three-dimensional motions, relative slippage, cage effects and localized surface defects are all considered. Moreover, localized surface defects are modeled accurately with consideration of the finite size of the ball, the additional clearance due to material absence, and changes of contact force directions. The reasonability of the proposed method for the prediction of dynamic behaviors of actual ball bearings with localized surface defects and for the calculation of BPFs is discussed by investigating the motion characteristics of a ball when it rolls through a defect. Parametric investigation shows that the shaft speed, external loads, the friction coefficient, raceway groove curvature factors, the initial contact angle, and defect sizes have great effects on BPFs. For a loaded ball bearing, the combination of rolling and sliding in contact region occurs, and the BPFs calculated by simple kinematical relationships are inaccurate, especially for high speed, low external load, and large initial contact angle conditions where severe skidding occurs. The hypothesis that the percentage variation of the spacing between impulses in a defective ball bearing was about 1-2% reported in previous investigations can be satisfied only for the conditions where the skidding effect in a bearing is slight. Finally, the proposed method is verified with two experiments.

Microscopic Rate Constants of Crystal Growth from Molecular Dynamic Simulations Combined with Metadynamics

Directory of Open Access Journals (Sweden)

Dániel Kozma

2012-01-01

Full Text Available Atomistic simulation of crystal growth can be decomposed into two steps: the determination of the microscopic rate constants and a mesoscopic kinetic Monte Carlo simulation. We proposed a method to determine kinetic rate constants of crystal growth. We performed classical molecular dynamics on the equilibrium liquid/crystal interface of argon. Metadynamics was used to explore the free energy surface of crystal growth. A crystalline atom was selected at the interface, and it was displaced to the liquid phase by adding repulsive Gaussian potentials. The activation free energy of this process was calculated as the maximal potential energy density of the Gaussian potentials. We calculated the rate constants at different interfacial structures using the transition state theory. In order to mimic real crystallization, we applied a temperature difference in the calculations of the two opposite rate constants, and they were applied in kinetic Monte Carlo simulation. The novelty of our technique is that it can be used for slow crystallization processes, while the simple following of trajectories can be applied only for fast reactions. Our method is a possibility for determination of elementary rate constants of crystal growth that seems to be necessary for the long-time goal of computer-aided crystal design.

Photoluminescence characteristics of Pb-doped, molecular-beam-epitaxy grown ZnSe crystal layers

International Nuclear Information System (INIS)

Mita, Yoh; Kuronuma, Ryoichi; Inoue, Masanori; Sasaki, Shoichiro; Miyamoto, Yoshinobu

2004-01-01

The characteristic green photoluminescence emission and related phenomena in Pb-doped, molecular-beam-epitaxy (MBE)-grown ZnSe crystal layers were investigated to explore the nature of the center responsible for the green emission. The intensity of the green emission showed a distinct nonlinear dependence on excitation intensity. Pb-diffused polycrystalline ZnSe was similarly examined for comparison. The characteristic green emission has been observed only in MBE-grown ZnSe crystal layers with moderate Pb doping. The results of the investigations on the growth conditions, luminescence, and related properties of the ZnSe crystal layers suggest that the green emission is due to isolated Pb replacing Zn and surrounded with regular ZnSe lattice with a high perfection

Ball Screw Actuator Including a Stop with an Integral Guide

Science.gov (United States)

Wingett, Paul T. (Inventor); Perek, John (Inventor); Geck, Kellan (Inventor)

2015-01-01

An actuator includes a housing assembly, a ball nut, a ball screw, and a ball screw stop. The ball nut is rotationally mounted in the housing assembly, is adapted to receive an input torque, and is configured, upon receipt thereof, to rotate and supply a drive force. The ball screw is mounted within the housing assembly and extends through the ball nut. The ball screw has a first end and a second end, and is coupled to receive the drive force from the ball nut. The ball screw is configured, upon receipt of the drive force, to selectively translate between a stow position and a deploy position. The ball screw stop is mounted on the ball screw to translate therewith and is configured to at selectively engage the housing assembly while the ball screw is translating, and engage the ball nut when the ball screw is in the deploy position.

Encapsulated Ball Bearings for Rotary Micro Machines

Science.gov (United States)

2007-01-01

occurrence as well as the overall tribological properties of the bearing mechanism. Firstly, the number of stainless steel balls influences not only the load...stacks.iop.org/JMM/17/S224 Abstract We report on the first encapsulated rotary ball bearing mechanism using silicon microfabrication and stainless steel balls...The method of capturing stainless steel balls within a silicon race to support a silicon rotor both axially and radially is developed for rotary micro

The crystallization of amorphous Fe2MnGe powder prepared by ball milling

International Nuclear Information System (INIS)

Zhang, L.; Brueck, E.; Tegus, O.; Buschow, K.H.J.; Boer, F.R. de

2003-01-01

We synthesized for the first time the intermetallic compound Fe 2 MnGe. To avoid preferential evaporation of volatile components we exploited mechanical alloying. Amorphous Fe 2 MnGe alloy powder was prepared by planetary ball milling elemental starting materials. The amorphous-to-crystalline transition was studied by means of differential scanning calorimetry (DSC) and X-ray diffraction (XRD). A cubic D0 3 phase is formed at low temperature and transforms to a high-temperature hexagonal D0 19 phase. The apparent activation energy was determined by means of the Kissinger method

Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids – crystal engineering, phase transformations and NLO properties

Czech Academy of Sciences Publication Activity Database

Matulková, Irena; Cihelka, J.; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Císařová, I.; Vaněk, Přemysl; Kroupa, Jan; Němec, P.; Tesařová, N.; Němec, I.

2014-01-01

Roč. 16, č. 9 (2014), s. 1763-1776 ISSN 1466-8033 Grant - others:AVČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : molecular crystals * inorganic salts * structure determination * second harmonic generation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.034, year: 2014

Picosecond Transient Photoconductivity in Functionalized Pentacene Molecular Crystals Probed by Terahertz Pulse Spectroscopy

Science.gov (United States)

Hegmann, F. A.; Tykwinski, R. R.; Lui, K. P.; Bullock, J. E.; Anthony, J. E.

2002-11-01

We have measured transient photoconductivity in functionalized pentacene molecular crystals using ultrafast optical pump-terahertz probe techniques. The single crystal samples were excited using 800nm, 100fs pulses, and the change in transmission of time-delayed, subpicosecond terahertz pulses was used to probe the photoconducting state over a temperature range from 10 to 300K. A subpicosecond rise in photoconductivity is observed, suggesting that mobile carriers are a primary photoexcitation. At times longer than 4ps, a power-law decay is observed consistent with dispersive transport.

Flight trajectory of a rotating golf ball with grooves

Science.gov (United States)

Baek, Moonheum; Kim, Jooha; Choi, Haecheon

2014-11-01

Dimples are known to reduce drag on a sphere by the amount of 50% as compared to a smooth surface. Despite the advantage of reducing drag, dimples deteriorate the putting accuracy owing to their sharp edges. To minimize this putting error but maintain the same flight distance, we have devised a grooved golf ball (called G ball hereafter) for several years. In this study, we modify the shape and pattern of grooves, and investigate the flow characteristics of the G ball by performing wind-tunnel experiments at the Reynolds numbers of 0 . 5 ×105 - 2 . 5 ×105 and the spin ratios (ratio of surface velocity to the free-stream velocity) of 0 - 0.6 that include the real golf-ball velocity and rotational speed. We measure the drag and lift forces on the rotating G ball and compare them with those of a smooth ball and two well-known dimpled balls. The lift-to-drag ratio of the G ball is much higher than that of a smooth ball and is in between those of the two dimpled balls. The trajectories of flying golf balls are computed. The flight distance of G ball is almost the same as that of one dimpled ball but slightly shorter than that of the other dimpled ball. The fluid-dynamic aspects of these differences will be discussed at the talk. Supported by 2011-0028032, 2014M3C1B1033980.

Molecular complex of lumiflavin and 2-aminobenzoic acid: crystal structure, crystal spectra, and solution properties.

Science.gov (United States)

Shieh, H S; Ghisla, S; Hanson, L K; Ludwig, M L; Nordman, C E

1981-08-04

The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N4O2.C7H7NO2.H2O) crystallizes from from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 A, c = 7.045 A, alpha = 95.44 degrees , beta = 95.86 degrees, and gamma = 105.66 degrees . The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating lumiflavin adn un-ionized (neutral) 2-aminobenzoic acid molecules. Two different modes of stacking interaction are observed. In one, 2-aminobenzoic acid overlaps all three of the isoalloxazine rings, at a mean distance of 3.36 A; in the other, 2-aminobenzoic acid interacts distance of 3.36 A; in the other, 2-aminobenzoic acid interacts with the pyrazine and dimethylbenzene moieties, at a distance of 3.42 A. Perpendicular to the stacking direction, the molecules form a continuous sheet. Each flavin is hydrogen bonded via O(2) and NH(3) to two symmetrically related aminobenzoates; the water of crystallization forms three hydrogen bonds, bridging two flavins, via O(4) and N(5), and one aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid molecules. Measurements of the polarized optical absorption spectra of crystals show that the transition moment direction for the long wavelength absorbance (beyond 530 nm) contains an out-of-plane component which can only arise from a charge-transfer interaction. Since the amino N does not make exceptionally close interactions with isoalloxazine atoms in either stacking mode (minimum interatomic distance 3.52 A), the charge transfer is presumed to involve pi orbitals of the 2-aminobenzoic acid donor.

How does gravity save or kill Q-balls?

International Nuclear Information System (INIS)

Tamaki, Takashi; Sakai, Nobuyuki

2011-01-01

We explore stability of gravitating Q-balls with potential V 4 (φ)=(m 2 /2)φ 2 -λφ 4 +(φ 6 /M 2 ) via catastrophe theory, as an extension of our previous work on Q-balls with potential V 3 (φ)=(m 2 /2)φ 2 -μφ 3 +λφ 4 . In flat spacetime Q-balls with V 4 in the thick-wall limit are unstable and there is a minimum charge Q min , where Q-balls with Q min are nonexistent. If we take self-gravity into account, on the other hand, there exist stable Q-balls with arbitrarily small charge, no matter how weak gravity is. That is, gravity saves Q-balls with small charge. We also show how stability of Q-balls changes as gravity becomes strong.

Experimental research on ball lightning

International Nuclear Information System (INIS)

Ofuruton, H.; Ohtsuki, Y.H.

1990-01-01

Experiments on producing ball lightning were made with discharge in flammable gas and/or aerosol. A long lifetime (2 s) ball lightning was observed in 2.7 % ethane and 100 cm 3 cotton fibers, and in 1.5 % methane and 1.9 % ethane

Interface Engineering for Organic Electronics; Manufacturing of Hybrid Inorganic-Organic Molecular Crystal Devices

NARCIS (Netherlands)

de Veen, P.J.

2011-01-01

Organic semiconductors are at the basis of Organic Electronics. Objective of this dissertation is “to fabricate high-quality organic molecular single-crystal devices”, to explore the intrinsic properties of organic semiconductors. To achieve this, the in situ fabrication of complete field-effect

The molecular ordering phenomenon in dye-doped nematic liquid crystals

International Nuclear Information System (INIS)

Prakash Yadav, Satya; Pandey, Kamal Kumar; Kumar Misra, Abhishek; Kumar Tripathi, Pankaj; Manohar, Rajiv

2011-01-01

The experimental results of this work point out the role of the guest dye molecules in the molecular ordering of nematic liquid crystals. We have discussed the changes in the energies of interactions between rod-like nematic molecules and anthraquinone dye by considering the presence of steric and dipole-dipole interactions in the dye-doped system. The concentration of the dye plays an important role in the determination of molecular ordering in such dye-doped systems. Below a certain concentration of dye (known as the critical concentration), where the interaction between the dye molecules can be neglected, the addition of dye molecules introduces some disorder into the system in the form of domain formation. Above this critical concentration, this disorder is small.

The molecular ordering phenomenon in dye-doped nematic liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Prakash Yadav, Satya; Pandey, Kamal Kumar; Kumar Misra, Abhishek; Kumar Tripathi, Pankaj; Manohar, Rajiv, E-mail: rajiv.manohar@gmail.com [Liquid Crystal Research Laboratory, Physics Department, University of Lucknow, Lucknow-226007 (India)

2011-03-15

The experimental results of this work point out the role of the guest dye molecules in the molecular ordering of nematic liquid crystals. We have discussed the changes in the energies of interactions between rod-like nematic molecules and anthraquinone dye by considering the presence of steric and dipole-dipole interactions in the dye-doped system. The concentration of the dye plays an important role in the determination of molecular ordering in such dye-doped systems. Below a certain concentration of dye (known as the critical concentration), where the interaction between the dye molecules can be neglected, the addition of dye molecules introduces some disorder into the system in the form of domain formation. Above this critical concentration, this disorder is small.

Q-balls in flat potentials

International Nuclear Information System (INIS)

Copeland, Edmund J.; Tsumagari, Mitsuo I.

2009-01-01

We study the classical and absolute stability of Q-balls in scalar field theories with flat potentials arising in both gravity-mediated and gauge-mediated models. We show that the associated Q-matter formed in gravity-mediated potentials can be stable against decay into their own free particles as long as the coupling constant of the nonrenormalizable term is small, and that all of the possible three-dimensional Q-ball configurations are classically stable against linear fluctuations. Three-dimensional gauge-mediated Q-balls can be absolutely stable in the thin-wall limit, but are completely unstable in the thick-wall limit.

Molecular rotation-vibration dynamics of low-symmetric hydrate crystal in the terahertz region.

Science.gov (United States)

Fu, Xiaojian; Wu, Hongya; Xi, Xiaoqing; Zhou, Ji

2014-01-16

The rotational and vibrational dynamics of molecules in copper sulfate pentahydrate crystal are investigated with terahertz dielectric spectra. It is shown that the relaxation-like dielectric dispersion in the low frequency region is related to the reorientation of water molecules under the driving of terahertz electric field, whereas the resonant dispersion can be ascribed to lattice vibration. It is also found that, due to the hydrogen-bond effect, the vibrational mode at about 1.83 THz along [-111] direction softens with decreasing temperature, that is, the crystal expands in this direction when cooled. On the contrary, the mode hardens in the direction perpendicular to [-111] during the cooling process. This contributes to the further understanding of the molecular structure and bonding features of hydrate crystals.

LHC gets the ball rolling

CERN Multimedia

2007-01-01

1. The multidisciplinary team responsible for the RF ball project to check the interconnections. From left to right: Rhodri Jones (AB/BI), Eva Calvo (AB/BI), Francesco Bertinelli (AT/MCS), Sonia Bartolome Jimenez (TS/IC), Sylvain Weisz (TS/IC), Paul Cruikshank (AT/VAC), Willemjan Maan (AT/VAC), Alain Poncet (AT/MCS), Marek Gasior (AB/BI).2. During the tests the ball is inserted very carefully into the vacuum chamber.1. Le groupe pluridisciplinaire qui a mené le projet de balle RF pour vérifier les interconnexions avec, de gauche à droite, Rhodri Jones (AB/BI), Eva Calvo (AB/BI), Francesco Bertinelli (AT/MCS), Sonia Bartolome Jimenez (TS/IC), Sylvain Weisz (TS/IC), Paul Cruikshank (AT/VAC), Willemjan Maan (AT/VAC), Alain Poncet (AT/MCS) et Marek Gasior (AB/BI).2. Lors des tests, la balle est insérée dans la chambre à vide avec beaucoup de précaution.

Relation between photochromic properties and molecular structures in salicylideneaniline crystals.

Science.gov (United States)

Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji

2012-06-01

The crystal structures of the salicylideneaniline derivatives N-salicylidene-4-tert-butyl-aniline (1), N-3,5-di-tert-butyl-salicylidene-3-methoxyaniline (2), N-3,5-di-tert-butyl-salicylidene-3-bromoaniline (3), N-3,5-di-tert-butyl-salicylidene-3-chloroaniline (4), N-3,5-di-tert-butyl-salicylidene-4-bromoaniline (5), N-3,5-di-tert-butyl-salicylidene-aniline (6), N-3,5-di-tert-butyl-salicylidene-4-carboxyaniline (7) and N-salicylidene-2-chloroaniline (8) were analyzed by X-ray diffraction analysis at ambient temperature to investigate the relationship between their photochromic properties and molecular structures. A clear correlation between photochromism and the dihedral angle of the two benzene rings in the salicylideneaniline derivatives was observed. Crystals with dihedral angles less than 20° were non-photochromic, whereas those with dihedral angles greater than 30° were photochromic. Crystals with dihedral angles between 20 and 30° could be either photochromic or non-photochromic. Inhibition of the pedal motion by intra- or intermolecular steric hindrance, however, can result in non-photochromic behaviour even if the dihedral angle is larger than 30°.

Molecular nucleation mechanisms and control strategies for crystal polymorph selection

Science.gov (United States)

van Driessche, Alexander E. S.; van Gerven, Nani; Bomans, Paul H. H.; Joosten, Rick R. M.; Friedrich, Heiner; Gil-Carton, David; Sommerdijk, Nico A. J. M.; Sleutel, Mike

2018-04-01

The formation of condensed (compacted) protein phases is associated with a wide range of human disorders, such as eye cataracts, amyotrophic lateral sclerosis, sickle cell anaemia and Alzheimer’s disease. However, condensed protein phases have their uses: as crystals, they are harnessed by structural biologists to elucidate protein structures, or are used as delivery vehicles for pharmaceutical applications. The physiochemical properties of crystals can vary substantially between different forms or structures (‘polymorphs’) of the same macromolecule, and dictate their usability in a scientific or industrial context. To gain control over an emerging polymorph, one needs a molecular-level understanding of the pathways that lead to the various macroscopic states and of the mechanisms that govern pathway selection. However, it is still not clear how the embryonic seeds of a macromolecular phase are formed, or how these nuclei affect polymorph selection. Here we use time-resolved cryo-transmission electron microscopy to image the nucleation of crystals of the protein glucose isomerase, and to uncover at molecular resolution the nucleation pathways that lead to two crystalline states and one gelled state. We show that polymorph selection takes place at the earliest stages of structure formation and is based on specific building blocks for each space group. Moreover, we demonstrate control over the system by selectively forming desired polymorphs through site-directed mutagenesis, specifically tuning intermolecular bonding or gel seeding. Our results differ from the present picture of protein nucleation, in that we do not identify a metastable dense liquid as the precursor to the crystalline state. Rather, we observe nucleation events that are driven by oriented attachments between subcritical clusters that already exhibit a degree of crystallinity. These insights suggest ways of controlling macromolecular phase transitions, aiding the development of protein

Designs of Plasmonic Metamasks for Photopatterning Molecular Orientations in Liquid Crystals

Directory of Open Access Journals (Sweden)

Yubing Guo

2016-12-01

Full Text Available Aligning liquid crystal (LC molecules into spatially non-uniform orientation patterns is central to the functionalities of many emerging LC devices. Recently, we developed a new projection photopatterning technique by using plasmonic metamasks (PMMs, and demonstrated high-resolution and high-throughput patterning of molecular orientations into arbitrary patterns. Here we present comparisons between two different types of metamask designs: one based on curvilinear nanoslits in metal films; the other based on rectangular nanoapertures in metal films. By using numerical simulations and experimental studies, we show that the PMMs based on curvilinear nanoslits exhibit advantages in their broadband and high optical transmission, while face challenges in mask designing for arbitrary molecular orientations. In contrast, the PMMs based on nanoapertures, though limited in optical transmission, present the great advantage of allowing for patterning arbitrary molecular orientation fields.

Static Load Distribution in Ball Bearings

Science.gov (United States)

Ricci, Mario

2010-01-01

A numerical procedure for computing the internal loading distribution in statically loaded, single-row, angular-contact ball bearings when subjected to a known combined radial and thrust load is presented. The combined radial and thrust load must be applied in order to avoid tilting between inner and outer rings. The numerical procedure requires the iterative solution of Z + 2 simultaneous nonlinear equations - where Z is the number of the balls - to yield an exact solution for axial and radial deflections, and contact angles. Numerical results for a 218 angular-contact ball bearing have been compared with those from the literature and show significant differences in the magnitudes of the ball loads, contact angles, and the extent of the loading zone.

Multifractal properties of ball milling dynamics

Energy Technology Data Exchange (ETDEWEB)

Budroni, M. A., E-mail: mabudroni@uniss.it; Pilosu, V.; Rustici, M. [Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, Via Vienna 2, Sassari 07100 (Italy); Delogu, F. [Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, Cagliari 09123 (Italy)

2014-06-15

This work focuses on the dynamics of a ball inside the reactor of a ball mill. We show that the distribution of collisions at the reactor walls exhibits multifractal properties in a wide region of the parameter space defining the geometrical characteristics of the reactor and the collision elasticity. This feature points to the presence of restricted self-organized zones of the reactor walls where the ball preferentially collides and the mechanical energy is mainly dissipated.

Molecular Imprinting Technology in Quartz Crystal Microbalance (QCM) Sensors

Science.gov (United States)

Emir Diltemiz, Sibel; Keçili, Rüstem; Ersöz, Arzu; Say, Rıdvan

2017-01-01

Molecularly imprinted polymers (MIPs) as artificial antibodies have received considerable scientific attention in the past years in the field of (bio)sensors since they have unique features that distinguish them from natural antibodies such as robustness, multiple binding sites, low cost, facile preparation and high stability under extreme operation conditions (higher pH and temperature values, etc.). On the other hand, the Quartz Crystal Microbalance (QCM) is an analytical tool based on the measurement of small mass changes on the sensor surface. QCM sensors are practical and convenient monitoring tools because of their specificity, sensitivity, high accuracy, stability and reproducibility. QCM devices are highly suitable for converting the recognition process achieved using MIP-based memories into a sensor signal. Therefore, the combination of a QCM and MIPs as synthetic receptors enhances the sensitivity through MIP process-based multiplexed binding sites using size, 3D-shape and chemical function having molecular memories of the prepared sensor system toward the target compound to be detected. This review aims to highlight and summarize the recent progress and studies in the field of (bio)sensor systems based on QCMs combined with molecular imprinting technology. PMID:28245588

Molecular Imprinting Technology in Quartz Crystal Microbalance (QCM Sensors

Directory of Open Access Journals (Sweden)

Sibel Emir Diltemiz

2017-02-01

Full Text Available Molecularly imprinted polymers (MIPs as artificial antibodies have received considerable scientific attention in the past years in the field of (biosensors since they have unique features that distinguish them from natural antibodies such as robustness, multiple binding sites, low cost, facile preparation and high stability under extreme operation conditions (higher pH and temperature values, etc.. On the other hand, the Quartz Crystal Microbalance (QCM is an analytical tool based on the measurement of small mass changes on the sensor surface. QCM sensors are practical and convenient monitoring tools because of their specificity, sensitivity, high accuracy, stability and reproducibility. QCM devices are highly suitable for converting the recognition process achieved using MIP-based memories into a sensor signal. Therefore, the combination of a QCM and MIPs as synthetic receptors enhances the sensitivity through MIP process-based multiplexed binding sites using size, 3D-shape and chemical function having molecular memories of the prepared sensor system toward the target compound to be detected. This review aims to highlight and summarize the recent progress and studies in the field of (biosensor systems based on QCMs combined with molecular imprinting technology.

Deuteron NMR resolved mesogen vs. crosslinker molecular order and reorientational exchange in liquid single crystal elastomers

Czech Academy of Sciences Publication Activity Database

Milavec, J.; Domenici, V.; Zupančič, B.; Rešetič, A.; Bubnov, Alexej; Zalar, B.

2016-01-01

Roč. 18, č. 5 (2016), s. 4071-4077 ISSN 1463-9076 R&D Projects: GA ČR GA15-02843S; GA MŠk(CZ) LD14007 Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : liquid single crystal elastomer * NMR * liquid crystal * molecular order * monomers Subject RIV: JJ - Other Materials Impact factor: 4.123, year: 2016

Aerodynamic drag of modern soccer balls.

Science.gov (United States)

Asai, Takeshi; Seo, Kazuya

2013-12-01

Soccer balls such as the Adidas Roteiro that have been used in soccer tournaments thus far had 32 pentagonal and hexagonal panels. Recently, the Adidas Teamgeist II and Adidas Jabulani, respectively having 14 and 8 panels, have been used at tournaments; the aerodynamic characteristics of these balls have not yet been verified. Now, the Adidas Tango 12, having 32 panels, has been developed for use at tournaments; therefore, it is necessary to understand its aerodynamic characteristics. Through a wind tunnel test and ball trajectory simulations, this study shows that the aerodynamic resistance of the new 32-panel soccer ball is larger in the high-speed region and lower in the middle-speed region than that of the previous 14- and 8-panel balls. The critical Reynolds number of the Roteiro, Teamgeist II, Jabulani, and Tango 12 was ~2.2 × 10(5) (drag coefficient, C d  ≈ 0.12), ~2.8 × 10(5) (C d  ≈ 0.13), ~3.3 × 10(5) (C d  ≈ 0.13), and ~2.4 × 10(5) (C d  ≈ 0.15), respectively. The flight trajectory simulation suggested that the Tango 12, one of the newest soccer balls, has less air resistance in the medium-speed region than the Jabulani and can thus easily acquire large initial velocity in this region. It is considered that the critical Reynolds number of a soccer ball, as considered within the scope of this experiment, depends on the extended total distance of the panel bonds rather than the small designs on the panel surfaces.

Shape Changing Nonlocal Molecular Deformations in a Nematic Liquid Crystal

International Nuclear Information System (INIS)

Kavitha, L.; Venkatesh, M.; Gopi, D.

2010-07-01

The nature of nonlinear molecular deformations in a homeotropically aligned nematic liquid crystal (NLC) is presented. We start from the basic dynamical equation for the director axis of a NLC with elastic deformation mapped onto an integro-differential perturbed Nonlinear Schroedinger equation which includes the nonlocal term. By invoking the modified extended tangent hyperbolic function method aided with symbolic computation, we obtain a series of solitary wave solutions. Under the influence of the nonlocality induced by the reorientation nonlinearity due to fluctuations in the molecular orientation, the solitary wave exhibits shape changing property for different choices of parameters. This intriguing property, as a result of the relation between the coherence of the solitary deformation and the nonlocality, reveals a strong need for deeper understanding in the theory of self-localization in NLC systems. (author)

Study on Properties of Energy Spectra of the Molecular Crystals

Science.gov (United States)

Pang, Xiao-Feng; Chen, Xiang-Rong

The energy-spectra of nonlinear vibration of molecular crystals such as acetanilide have been calculated by using discrete nonlinear Schrödinger equation appropriate to the systems, containing various interactions. The energy levels including higher excited states are basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide. We further give the features of distribution of the energy-spectra for the acetanilide. Using the energy spectra we also explained well experimental results obtained by Careri et al..

On the formation of ball lightning

International Nuclear Information System (INIS)

Silberg, P.A.

1981-01-01

A plasma continuum model for the formation of ball lightning is developed based on a substantial number of reports that the ball is often in the discharge column of a previous lightning stroke. The usual method of setting up the plasma equation for a one-component electron plasma is used. An approximate equation for the plasma is derived from the describing equation which is then solved exactly in terms of the Jacobi elliptic functions. The formation of the ball is based on a nonlinearity of the plasma equation which uner certain circumstances permits the field to collapse into a small region. This collapse is interpreted to be ball lightning. The approximate equation derived for the plasma has the same form as a previous equation used to describe the formation of the fireball plasma. (author)

Crystal water as the mol-ecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexa-hydrate.

Science.gov (United States)

Vella-Zarb, L; Baisch, U

2018-04-01

The crystal structure of the hexa-hydrate co-crystal of gallic acid and caffeine, C 7 H 6 O 5 ·3C 8 H 10 N 4 O 2 ·6H 2 O or GAL3CAF·6H 2 O , is a remarkable example of the importance of hydrate water acting as structural glue to facilitate the crystallization of two components of different stoichiometries and thus to compensate an imbalance of hydrogen-bond donors and acceptors. The water mol-ecules provide the additional hydrogen bonds required to form a crystalline solid. Whereas the majority of hydrogen bonds forming the inter-molecular network between gallic acid and caffeine are formed by crystal water, only one direct classical hydrogen bond between two mol-ecules is formed between the carb-oxy-lic oxygen of gallic acid and the carbonyl oxygen of caffeine with d ( D ⋯ A ) = 2.672 (2) Å. All other hydrogen bonds either involve crystal water or utilize protonated carbon atoms as donors.

Identification of sources of tar balls deposited along the Goa coast, India, using fingerprinting techniques

Digital Repository Service at National Institute of Oceanography (India)

Suneel, V.; Vethamony, P.; Zakaria, M.P.; Naik, B.G.; Prasad, K.V.

. Christensen et al (2007) reviewed the practical aspects of chemometrics for oil spill fingerprinting and provided a basis for the use of chemometric 3    methods in tiered oil spill fingerprinting. Biomarker compounds such as isoprenoid alkanes, hopanes... deposited along the Malaysian beaches. Low molecular weight/high molecular weight ratios (L/H) of both alkanes and PAHs together are useful in categorizing the weathering effects of tar balls (Chandru et al., 2008). However, in cases...

The crystal structures of three pyrazine-2,5-dicarb-oxamides: three-dimensional supra-molecular structures.

Science.gov (United States)

Cati, Dilovan S; Stoeckli-Evans, Helen

2017-05-01

The complete mol-ecules of the title compounds, N 2 , N 5 -bis-(pyridin-2-ylmeth-yl)pyrazine-2,5-dicarboxamide, C 18 H 16 N 6 O 2 (I), 3,6-dimethyl- N 2 , N 5 -bis-(pyridin-2-yl-meth-yl)pyrazine-2,5-dicarboxamide, C 20 H 20 N 6 O 2 (II), and N 2 , N 5 -bis-(pyridin-4-ylmeth-yl)pyrazine-2,5-dicarboxamide, C 18 H 16 N 6 O 2 (III), are generated by inversion symmetry, with the pyrazine rings being located about centres of inversion. Each mol-ecule has an extended conformation with the pyridine rings inclined to the pyrazine ring by 89.17 (7)° in (I), 75.83 (8)° in (II) and by 82.71 (6)° in (III). In the crystal of (I), mol-ecules are linked by N-H⋯N hydrogen bonds, forming layers lying parallel to the bc plane. The layers are linked by C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular structure. In the crystal of (II), mol-ecules are also linked by N-H⋯N hydrogen bonds, forming layers lying parallel to the (10-1) plane. As in (I), the layers are linked by C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular structure. In the crystal of (III), mol-ecules are again linked by N-H⋯N hydrogen bonds, but here form corrugated sheets lying parallel to the bc plane. Within the sheets, neighbouring pyridine rings are linked by offset π-π inter-actions [inter-centroid distance = 3.739 (1) Å]. The sheets are linked by C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular structure. Compound (I) crystallizes in the monoclinic space group P 2 1 / c . Another monoclinic polymorph, space group C 2/ c , has been reported on by Cockriel et al. [ Inorg. Chem. Commun. (2008), 11 , 1-4]. The mol-ecular structures of the two polymorphs are compared.

Pressure-induced organic topological nodal-line semimetal in the three-dimensional molecular crystal Pd (dddt) 2

Science.gov (United States)

Liu, Zhao; Wang, Haidi; Wang, Z. F.; Yang, Jinlong; Liu, Feng

2018-04-01

The nodal-line semimetal represents a class of topological materials characterized with highest band degeneracy. It is usually found in inorganic materials of high crystal symmetry or a minimum symmetry of inversion aided with accidental band degeneracy [Phys. Rev. Lett. 118, 176402 (2017), 10.1103/PhysRevLett.118.176402]. Based on first-principles band structure, Wannier charge center, and topological surface state calculations, here we predict a pressure-induced topological nodal-line semimetal in the absence of spin-orbit coupling (SOC) in the synthesized single-component 3D molecular crystal Pd (dddt) 2 . We show a Γ -centered single nodal line undulating within a narrow energy window across the Fermi level. This intriguing nodal line is generated by pressure-induced accidental band degeneracy, without protection from any crystal symmetry. When SOC is included, the fourfold degenerated nodal line is gapped and Pd (dddt) 2 becomes a strong 3D topological metal with an Z2 index of (1;000). However, the tiny SOC gap makes it still possible to detect the nodal-line properties experimentally. Our findings afford an attractive route for designing and realizing topological states in 3D molecular crystals, as they are weakly bonded through van der Waals forces with a low crystal symmetry so that their electronic structures can be easily tuned by pressure.

Crystallographic alignment evolution and magnetic properties of anisotropic Sm{sub 0.6}Pr{sub 0.4}Co{sub 5} nanoflakes prepared by surfactant-assisted ball milling

Energy Technology Data Exchange (ETDEWEB)

Xu, M.L.; Wu, Q.; Li, Y.Q.; Liu, W.Q.; Lu, Q.M.; Yue, M., E-mail: yueming@bjut.edu.cn

2015-08-01

The microstructure, crystal structure and magnetic properties were studied for Sm{sub 0.6}Pr{sub 0.4}Co{sub 5} nanoflakes prepared by surfactant-assisted high-energy ball milling (SAHEBM). Effect of ball-milling time on the c-axis crystallographic alignment, morphology and magnetic properties of Sm{sub 0.6}Pr{sub 0.4}Co{sub 5} nanoflakes was systematically investigated. With increasing milling time from 1 h to 7 h, the intensity ratio between (002) and (111) reflection peaks indicating degree of c-axis crystal texture of the (Sm, Pr)Co{sub 5} phase increases first, peaks at 3 h, then drops again, revealing that the strongest c-axis crystal texture was obtained in the nanoflakes milled for 3 h. On the other hand, the coercivity (H{sub ci}) of the flakes increases gradually from 1.71 to 14.65 kOe with the increase of ball milling time. As a result, an optimal magnetic properties of M{sub r} of 10.23 kGs, H{sub ci} of 11.45 kOe and (BH){sub max} of 24.40 MGOe was obtained in Sm{sub 0.6}Pr{sub 0.4}Co{sub 5} nanoflakes milled for 3 h, which also displayed a high aspect ratio, small in-plane size, pronounced (001) out-of-plane texture. - Highlights: • Anisotropic Sm{sub 0.6}Pr{sub 0.4}Co{sub 5} nanoflakes with strong c-axis texture were prepared. • Effects of ball-milling time on structure and magnetic properties were studied. • (BH){sub max} value of Sm{sub 0.6}Pr{sub 0.4}Co{sub 5} nanoflakes is larger than that of SmCo{sub 5} nanoflakes.

The rotational temperature of polar molecular ions in Coulomb crystals

International Nuclear Information System (INIS)

Bertelsen, Anders; Joergensen, Solvejg; Drewsen, Michael

2006-01-01

With MgH + ions as a test case, we investigate to what extent the rotational motion of smaller polar molecular ions sympathetically cooled into Coulomb crystals in linear Paul traps couples to the translational motions of the ion ensemble. By comparing the results obtained from rotational resonance-enhanced multiphoton photo-dissociation experiments with data from theoretical simulations, we conclude that the effective rotational temperature exceeds the translational temperature (<100 mK) by more than two orders of magnitude, indicating a very weak coupling. (letter to the editor)

Apparatus Would Measure Temperatures Of Ball Bearings

Science.gov (United States)

Gibson, John C.; Fredricks, Thomas H.

1995-01-01

Rig for testing ball bearings under radial and axial loads and measuring surface temperatures undergoing development. Includes extensible thermocouples: by means of bellows as longitudinal positioners, thermocouples driven into contact with bearing balls to sense temperatures immediately after test run. Not necessary to disassemble rig or to section balls to obtain indirect indications of maximum temperatures reached. Thermocouple measurements indicate temperatures better than temperature-sensitive paints.

Ball Screw Actuator Including an Axial Soft Stop

Science.gov (United States)

Wingett, Paul T. (Inventor); Forrest, Steven Talbert (Inventor); Abel, Steve (Inventor); Woessner, George (Inventor); Hanlon, Casey (Inventor)

2016-01-01

An actuator includes an actuator housing, a ball screw, and an axial soft stop assembly. The ball screw extends through the actuator housing and has a first end and a second end. The ball screw is coupled to receive a drive force and is configured, upon receipt of the drive force, to selectively move in a retract direction and an extend direction. The axial soft stop assembly is disposed within the actuator housing. The axial soft stop assembly is configured to be selectively engaged by the ball screw and, upon being engaged thereby, to translate, with compliance, a predetermined distance in the extend direction, and to prevent further movement of the ball screw upon translating the predetermined distance.

Berkeley High-Resolution Ball

International Nuclear Information System (INIS)

Diamond, R.M.

1984-10-01

Criteria for a high-resolution γ-ray system are discussed. Desirable properties are high resolution, good response function, and moderate solid angle so as to achieve not only double- but triple-coincidences with good statistics. The Berkeley High-Resolution Ball involved the first use of bismuth germanate (BGO) for anti-Compton shield for Ge detectors. The resulting compact shield permitted rather close packing of 21 detectors around a target. In addition, a small central BGO ball gives the total γ-ray energy and multiplicity, as well as the angular pattern of the γ rays. The 21-detector array is nearly complete, and the central ball has been designed, but not yet constructed. First results taken with 9 detector modules are shown for the nucleus 156 Er. The complex decay scheme indicates a transition from collective rotation (prolate shape) to single- particle states (possibly oblate) near spin 30 h, and has other interesting features

Modeling and Analyzing the Slipping of the Ball Screw

Directory of Open Access Journals (Sweden)

Nannan Xu

Full Text Available AbstractThis paper aims to set up the ball systematic slipping model and analyze the slipping characteristics caused by different factors for a ball screw operating at high speeds. To investigate the ball screw slipping mechanism, transformed coordinate system should be established firstly. Then it is used to set up mathematical modeling for the ball slipping caused by the three main reasons and the speed of slipping can be calculated. Later, the influence of the contact angle, helix angle and screw diameter for ball screw slipping will be analyzed according to the ball slipping model and slipping speeds equation and the slipping analysis will be obtained. Finally, curve of slipping analysis and that of mechanical efficiency of the ball screw analysis by Lin are compared, which will indirectly verify the correctness of the slipping model. The slipping model and the curve of slipping analysis established in this paper will provide theory basis for reducing slipping and improving the mechanical efficiency of a ball screw operating at high speeds.

Capillary crystallization and molecular-replacement solution of haemoglobin II from the clam Lucina pectinata

International Nuclear Information System (INIS)

Gavira, José A.; Jesus, Walleska de; Camara-Artigas, Ana; López-Garriga, Juan; García-Ruiz, Juan M.

2006-01-01

The haemoglobin II from the clam L. pectinata has been crystallized using counter-diffusion in single capillary in the presence of agarose to improve crystal quality. Initial phases have been obtained by molecular replacement. Haemoglobin II is one of three haemoglobins present in the cytoplasm of the Lucina pectinata mollusc that inhabits the Caribbean coast. Using HBII purified from its natural source, crystallization screening was performed using the counter-diffusion method with capillaries of 0.2 mm inner diameter. Crystals of HbII suitable for data collection and structure determination were grown in the presence of agarose at 0.1%(w/v) in order to improve their quality. The crystals belong to the tetragonal space group P4 2 2 1 2, with unit-cell parameters a = b = 73.92, c = 152.35 Å, and diffracted X-rays to a resolution of better than 2.0 Å. The asymmetric unit is a homodimer with a corresponding Matthews coefficient (V M ) of 3.15 Å 3 Da −1 and a solvent content of 61% by volume

Quantum simulation and quantum information processing with molecular dipolar crystals

International Nuclear Information System (INIS)

Ortner, M.

2011-01-01

In this thesis interactions between dipolar crystals and neutral atoms or separated molecules have been investigated. They were motivated to realize new kinds of lattice models in mixtures of atoms and polar molecules where an MDC functions as an underlying periodic lattice structure for the second species. Such models bring out the peculiar features of MDC's, that include a controllable, potentially sub-optical wavelength periodicity and strong particle phonon interactions. Only stable collisional configurations have been investigated, excluding chemical reactions between the substituents, and crystal distortions beyond the scope of perturbation theory. The system was treated in the polaron picture where particles of the second species are dressed by surrounding crystal phonons. To describe the competition between coherent and incoherent dynamics of the polarons, a master equation in the Brownian motion limit was used with phonons treated as a thermal heat bath. It was shown analytically that in a wide range of realistic parameters the corrections to the coherent time evolution are small, and that the dynamics of the dressed particles can be described by an effective extended Hubbard model with controllable system parameters. The last chapter of this thesis contains a proposal for QIP with cold polar molecules that, in contrast to previous works, uses an MDC as a quantum register. It was motivated by the unique features of dipolar molecules and to exploit the peculiar physical conditions in dipolar crystals. In this proposal the molecular dipole moments were tailored by non-local fields to include a small, switchable, state-dependent dipole moment in addition to the large internal state independent moment that stabilizes the crystal. It was shown analytically that a controllable, non-trivial phonon-mediated interaction can be generated that exceeds non-trivial, direct dipole-dipole couplings. The addressability problem due to high crystal densities was overcome by

Mucormycosis (Mucor fungus ball) of the maxillary sinus.

Science.gov (United States)

Cho, Hang Sun; Yang, Hoon Shik; Kim, Kyung Soo

2014-01-01

A fungus ball is an extramucosal fungal proliferation that completely fills one or more paranasal sinuses and usually occurs as a unilateral infection. It is mainly caused by Aspergillus spp in an immunocompetent host, but some cases of paranasal fungal balls reportedly have been caused by Mucor spp. A Mucor fungus ball is usually found in the maxillary sinus and/or the sphenoid sinus and may be black in color. Patients with mucormycosis, or a Mucor fungal ball infection, usually present with facial pain or headache. On computed tomography, there are no pathognomonic findings that are conclusive for a diagnosis of mucormycosis. In this article we report a case of mucormycosis in a 56-year-old woman and provide a comprehensive review of the literature on the "Mucor fungus ball." To the best of our knowledge, 5 case reports (8 patients) have been published in which the fungus ball was thought to be caused by Mucor spp.

Influence of Frenkel Excitons and Charge Transfer States on the Spectroscopic Properties of Organic Molecular Crystals

OpenAIRE

Gisslén, Linus Mathias

2010-01-01

Perylene derivatives are robust organic dyes absorbing and emitting light in the visible range and in the near infrared. They display a strong tendency to self-assemble into molecular aggregates, liquid crystals, or even crystals. In this thesis, we have demonstrated a successful realization of a theoretical approach describing the fundamental interactions influencing on exciton transfer in crystalline perylenes pigments. Furthermore, the microscopic parameter set obtained has allowed to calc...

Aerodynamics in the classroom and at the ball park

Science.gov (United States)

Cross, Rod

2012-04-01

Experiments suitable for classroom projects or demonstrations are described concerning the aerodynamics of polystyrene balls. A light ball with sufficient backspin can curve vertically upward through the air, defying gravity and providing a dramatic visual demonstration of the Magnus effect. A ball projected with backspin can also curve downward with a vertical acceleration greater than that due to gravity if the Magnus force is negative. These effects were investigated by filming the flight of balls projected in an approximately horizontal direction so that the lift and drag forces could be easily measured. The balls were also fitted with artificial raised seams and projected with backspin toward a vertical target in order to measure the sideways deflection over a known horizontal distance. It was found that (a) a ball with a seam on one side can deflect either left or right depending on its launch speed and (b) a ball with a baseball seam can also deflect sideways even when there is no sideways component of the drag or lift forces acting on the ball. Depending on the orientations of the seam and the spin axis, a sideways force on a baseball can arise either if there is rough patch on one side of the ball or if there is a smooth patch. A scuff ball with a rough patch on one side is illegal in baseball. The effect of a smooth patch is a surprising new observation.

Effect of soccer shoe upper on ball behaviour in curve kicks

Science.gov (United States)

Ishii, Hideyuki; Sakurai, Yoshihisa; Maruyama, Takeo

2014-08-01

New soccer shoes have been developed by considering various concepts related to kicking, such as curving a soccer ball. However, the effects of shoes on ball behaviour remain unclear. In this study, by using a finite element simulation, we investigated the factors that affect ball behaviour immediately after impact in a curve kick. Five experienced male university soccer players performed one curve kick. We developed a finite element model of the foot and ball and evaluated the validity of the model by comparing the finite element results for the ball behaviour immediately after impact with the experimental results. The launch angle, ball velocity, and ball rotation in the finite element analysis were all in general agreement with the experimental results. Using the validated finite element model, we simulated the ball behaviour. The simulation results indicated that the larger the foot velocity immediately before impact, the larger the ball velocity and ball rotation. Furthermore, the Young's modulus of the shoe upper and the coefficient of friction between the shoe upper and the ball had little effect on the launch angle, ball velocity, and ball rotation. The results of this study suggest that the shoe upper does not significantly influence ball behaviour.

Investigation of physical properties and stability of indomethacin-cimetidine and naproxen-cimetidine co-amorphous systems prepared by quench cooling, coprecipitation and ball milling

DEFF Research Database (Denmark)

Lim, Ai Wei; Löbmann, Korbinian; Grohganz, Holger

2016-01-01

the samples. Structural relaxation (i.e. molecular mobility) behaviour was obtained from the Kohlrausch-Williams-Watts (KWW) relationship. KEY FINDINGS: A glass transition temperature (Tg ), on average 20 °C higher than the predicted Tg (calculated from the Fox equation), was observed in all samples....... The structural relaxation was dependent on the preparative methods. At a storage temperature of 40 °C, a comparatively higher molecular mobility was observed in indomethacin-cimetidine samples prepared by ball milling (ln τ(β) = 0.8), while similar molecular mobility was found for the same sample prepared...... by quench cooling (ln τ(β) = 2.4) and co-evaporation (ln τ(β) = 2.5). In contrast, molecular mobility of the naproxen-cimetidine samples followed the order co-evaporation (ln τ(β) = 0.8), quench cooling (ln τ(β) = 1.6) and ball milling (ln τ(β) = 1.8). CONCLUSION: The estimated relaxation times by the DSC...

How does gravity save or kill Q-balls?

OpenAIRE

Tamaki, Takashi; Sakai, Nobuyuki

2011-01-01

We explore stability of gravitating Q-balls with potential $V_4(\\phi)={m^2\\over2}\\phi^2-\\lambda\\phi^4+\\frac{\\phi^6}{M^2}$ via catastrophe theory, as an extension of our previous work on Q-balls with potential $V_3(\\phi)={m^2\\over2}\\phi^2-\\mu\\phi^3+\\lambda\\phi^4$. In flat spacetime Q-balls with $V_4$ in the thick-wall limit are unstable and there is a minimum charge $Q_{{\\rm min}}$, where Q-balls with $Q

Friction torque in thrust ball bearings grease lubricated

Science.gov (United States)

Ianuş, G.; Dumitraşcu, A. C.; Cârlescu, V.; Olaru, D. N.

2016-08-01

The authors investigated experimentally and theoretically the friction torque in a modified thrust ball bearing having only 3 balls operating at low axial load and lubricated with NGLI-00 and NGLI-2 greases. The experiments were made by using spin-down methodology and the results were compared with the theoretical values based on Biboulet&Houpert's rolling friction equations. Also, the results were compared with the theoretical values obtained with SKF friction model adapted for 3 balls. A very good correlation between experiments and Biboulet_&_Houpert's predicted results was obtained for the two greases. Also was observed that the theoretical values for the friction torque calculated with SKF model adapted for a thrust ball bearing having only 3 balls are smaller that the experimental values.

Laser Sintering Technology and Balling Phenomenon.

Science.gov (United States)

Oyar, Perihan

2018-02-01

The aim of this review was to evaluate the balling phenomenon which occurs typically in Selective Laser Sintering (SLS). The balling phenomenon is a typical SLS defect, and observed in laser sintered powder, significantly reduces the quality of SLS, and hinders the further development of SLS Technology. Electronic database searches were performed using Google Scholar. The keywords "laser sintering, selective laser sintering, direct metal laser melting, and balling phenomenon" were searched in title/abstract of publications, limited to December 31, 2016. The inclusion criteria were SLS, balling phenomenon, some alloys (such as Cr-Co, iron, stainless steel, and Cu-based alloys) mechanical properties, microstructure and bond strength between metal-ceramic crown, laboratory studies, full text, and in English language. A total of 100 articles were found the initial search and yielded a total of 50 studies, 30 of which did not fulfill the inclusion criteria and were therefore excluded. In addition, 20 studies were found by screening the reference list of all included publications. Finally, 40 studies were selected for this review. The method in question is regulated by powder material characteristics and the conditions of laser processing. The procedure of formation, affecting factors, and the mechanism of the balling effect are very complex.

A computer program for external modes in complex ionic crystals (the rigid molecular-ion model)

International Nuclear Information System (INIS)

Chaplot, S.L.

1978-01-01

A computer program DISPR has been developed to calculate the external mode phonon dispersion relation in the harmonic approximation for complex ionic crystals using the rigid molecular ion model. A description of the program, the flow diagram and the required input information are given. A sample calculation for α-KNO 3 is presented. The program can handle any type of crystal lattice with any number of atoms and molecules per unit cell with suitable changes in dimension statements. (M.G.B.)

First-principles studies of PETN molecular crystal vibrational frequencies under high pressure

Science.gov (United States)

Perger, Warren; Zhao, Jijun

2005-07-01

The vibrational frequencies of the PETN molecular crystal were calculated using the first-principles CRYSTAL03 program which employs an all-electron LCAO approach and calculates analytic first derivatives of the total energy with respect to atomic displacements. Numerical second derivatives were used to enable calculation of the vibrational frequencies at ambient pressure and under various states of compression. Three different density functionals, B3LYP, PW91, and X3LYP were used to examine the effect of the exchange-correlation functional on the vibrational frequencies. The pressure-induced shift of the vibrational frequencies will be presented and compared with experiment. The average deviation with experimental results is shown to be on the order of 2-3%, depending on the functional used.

THE BEHAVIOURAL REACTION OF WEANERS TO HANGING TOYS: WOODEN BALL AND AROMATIZED WOODEN BALL – WAY TO REDUCE AGGRESSION AFTER MIXING

Directory of Open Access Journals (Sweden)

Jacek NOWICKI

2008-05-01

Full Text Available The behaviour of weaners after mixing housed in pens equipped with hanging wooden ball, aromatized with vanilla fluid hanging wooden ball and without enrichment was evaluated. It was found that both enrichments reduced aggression, however the most interesting for weaners was the aromatized wooden ball.

Conceptual design of ball-screw type control element drive mechanism

Energy Technology Data Exchange (ETDEWEB)

Kim, Ji Ho; Kim, Jong In; Huh, Hyung [Korea Atomic Energy Research Institute, Taejon (Korea)

1999-10-01

In this report, the design features of ball-screw type CEDM with fine-step movement capability are described. The contents of this report are as follows: -Review of Design Requirements for Ball-screw type CEDM -System Description for Ball-screw type CEDM -Design of Ball Bearing and Ball-screw Assembly -Detail Design of Rotary Step Motor -Detail Design of Angular Position Indicator -Materials. The Ball-screw type CEDM described in this report is to be utilized as the starting point for design development of CEDM for SMART. 11 refs., 43 figs., 3 tabs. (Author)

Molecular-crystal approach to accounting of correlation corrections in the chemical bond theory in crystals: electronic structure of Ti2O3 crystal

International Nuclear Information System (INIS)

Ehvarestov, R.A.; Panin, A.I.

2000-01-01

The problem on the possibility of partial accounting for the electron correlation effects within the frames of the Hartree-Fock unlimited method (HF). The local characteristic of the electron structure of the molecular systems for the case of the multi-determinant wave functions, configurational interaction methods and multiconfigurational self-consistent field (MCSCF) are determined. The molecular-crystalline approach is applied to studies on the electron correlation effects in the Ti 2 O 3 crystal. It is shown on the basis of the [Ti 2 O 9 ] 12- cluster electron structure calculation, that the Hartree-Fock unlimited method accounts in a number of cases for an essential part of statistical correlation effects. The energy values and local characteristics of the [Ti 2 O 9 ] 12- cluster, calculated through the HF and MCSCF methods, are presented [ru

Two Balls' Collision of Mass Ratio 3:1

Science.gov (United States)

Ogawara, Yasuo; Hull, Michael M.

2018-04-01

Students will sometimes ask why momentum and kinetic energy concepts are both necessary. When physics teachers demonstrate situations that require both an understanding of kinetic energy and momentum, a favorite is Newton's cradle, or a comparable demonstration of two balls of equal mass hitting each other. However, in addition to the case of two balls of equal mass, if a ball hits another ball of three times the mass with equal speed, the results are also interesting, and, like the equal-mass demonstration, both kinetic energy and momentum are critical for understanding the motion.

Biomechanics of Heading a Soccer Ball: Implications for Player Safety

Directory of Open Access Journals (Sweden)

Charles F. Babbs

2001-01-01

Full Text Available To better understand the risk and safety of heading a soccer ball, the author created a set of simple mathematical models based upon Newton�s second law of motion to describe the physics of heading. These models describe the player, the ball, the flight of the ball before impact, the motion of the head and ball during impact, and the effects of all of these upon the intensity and the duration of acceleration of the head. The calculated head accelerations were compared to those during presumably safe daily activities of jumping, dancing, and head nodding and also were related to established criteria for serious head injury from the motor vehicle crash literature. The results suggest heading is usually safe but occasionally dangerous, depending on key characteristics of both the player and the ball. Safety is greatly improved when players head the ball with greater effective body mass, which is determined by a player�s size, strength, and technique. Smaller youth players, because of their lesser body mass, are more at risk of potentially dangerous headers than are adults, even when using current youth size balls. Lower ball inflation pressure reduces risk of dangerous head accelerations. Lower pressure balls also have greater “touch” and “playability”, measured in terms of contact time and contact area between foot and ball during a kick. Focus on teaching proper technique, the re-design of age-appropriate balls for young players with reduced weight and inflation pressure, and avoidance of head contact with fast, rising balls kicked at close range can substantially reduce risk of subtle brain injury in players who head soccer balls.

On longevity of I-ball/oscillon

Energy Technology Data Exchange (ETDEWEB)

Mukaida, Kyohei [Kavli IPMU (WPI), UTIAS, The University of Tokyo,Kashiwa, Chiba 277-8583 (Japan); Takimoto, Masahiro [Theory Center, KEK,1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Department of Particle Physics and Astrophysics, Weizmann Institute of Science,Rehovot 7610001 (Israel); Yamada, Masaki [Institute of Cosmology, Department of Physics and Astronomy, Tufts University,Medford, MA 02155 (United States); Department of Physics, Tohoku University,Sendai, Miyagi 980-8578 (Japan)

2017-03-23

We study I-balls/oscillons, which are long-lived, quasi-periodic, and spatially localized solutions in real scalar field theories. Contrary to the case of Q-balls, there is no evident conserved charge that stabilizes the localized configuration. Nevertheless, in many classical numerical simulations, it has been shown that they are extremely long-lived. In this paper, we clarify the reason for the longevity, and show how the exponential separation of time scales emerges dynamically. Those solutions are time-periodic with a typical frequency of a mass scale of a scalar field. This observation implies that they can be understood by the effective theory after integrating out relativistic modes. We find that the resulting effective theory has an approximate global U(1) symmetry reflecting an approximate number conservation in the non-relativistic regime. As a result, the profile of those solutions is obtained via the bounce method, just like Q-balls, as long as the breaking of the U(1) symmetry is small enough. We then discuss the decay processes of the I-ball/oscillon by the breaking of the U(1) symmetry, namely the production of relativistic modes via number violating processes. We show that the imaginary part is exponentially suppressed, which explains the extraordinary longevity of I-ball/oscillon. In addition, we find that there are some attractor behaviors during the evolution of I-ball/oscillon that further enhance the lifetime. The validity of our effective theory is confirmed by classical numerical simulations. Our formalism may also be useful to study condensates of ultra light bosonic dark matter, such as fuzzy dark matter, and axion stars, for instance.

A general theory for ball lightning structure and light output

Science.gov (United States)

Morrow, R.

2018-03-01

A general theory for free-floating ball lightning is presented which unifies the phantom plasma ball theory involving the production of very little light, with theories for ball lightning involving light output produced by burning particles from the soil. The mechanism for the formation of plasma balls is shown to be quite general, producing very similar plasma balls independent of initial ion densities over four orders of magnitude. All that is required is an excess of positive ions in the initial ball of ions. The central plasma density after 1 s is shown to be the reciprocal of the ion neutralization coefficient for all cases, both analytically and computationally. Further, the plasma region has zero electric field in all cases. Surrounding the plasma ball is a sphere of positive ions moving away from the centre via their own space-charge field; this space-charge field, which is the same in all cases near the plasma ball, drives negative ions and negative particles towards the plasma centre. The connection with burning particle theories is the proposition that the burning particles are highly-charged which is very likely after a lightning strike. Burning negatively charged particles would be driven into the plasma ball region and trapped while any positively charged particles would be driven away. The plasma ball structure is shown to last more than 10 s and the ‘burnout time’ for a typical coal particle (as an example) has been measured at 5-10 s this is comparable with the lifetimes observed for ball lightning. The light output from a few hundred particles is estimated to be ~1 W, a typical output for ball lightning. Finally, suggestions are made for the generation of ball lightning in the laboratory.

Estimating Wear Of Installed Ball Bearings

Science.gov (United States)

Keba, John E.; Mcvey, Scott E.

1993-01-01

Simple inspection and measurement technique makes possible to estimate wear of balls in ball bearing, without removing bearing from shaft on which installed. To perform measurement, one observes bearing cage while turning shaft by hand to obtain integral number of cage rotations and to measure, to nearest 2 degrees, number of shaft rotations producing cage rotations. Ratio between numbers of cages and shaft rotations depends only on internal geometry of bearing and applied load. Changes in turns ratio reflect changes in internal geometry of bearing provided measurements made with similar bearing loads. By assuming all wear occurs on balls, one computes effective value for this wear from change in turns ratio.

Preparation and crystal and molecular structure of mer-trichlorotris(dimethylphenylphosphine)technetium(III)

Energy Technology Data Exchange (ETDEWEB)

Bandoli, G; Clemente, D A; Mazzi, U [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi

1976-01-01

The crystal and molecular structure of the title compound has been determined from single-crystal X-ray diffractometer data by Fourier methods and refined by anisotropic block-diagonal least-squares to R 0.054 for 4 065 independent observed reflections. Crystals are monoclinic, space group P2/sub 1//n, with cell parameters a = 10.935(9), b = 39.191(11), c = 13.738(7) A, ..beta.. = 107.33(7)/sup 0/, and Z = 8. The two crystallographically independent molecules are stereochemically equivalent (there is only a small difference in the orientation of a benzene ring) and the metal atom has a somewhat distorted octahedral co-ordination, with two pairs of like ligands mutually trans. Technetium-ligand bond distances are: Tc-Cl(trans to P) 2.46(1), Tc-Cl(trans to Cl) both 2.33(1), Tc-P(trans to Cl) 2.42(1) and Tc-P(trans to P) both 2.47(1) A. The noticeable trans-influence of the phosphine ligands on Tc-Cl bonds is discussed.

Inorganic bromine in organic molecular crystals: Database survey and four case studies

Science.gov (United States)

Nemec, Vinko; Lisac, Katarina; Stilinović, Vladimir; Cinčić, Dominik

2017-01-01

We present a Cambridge Structural Database and experimental study of multicomponent molecular crystals containing bromine. The CSD study covers supramolecular behaviour of bromide and tribromide anions as well as halogen bonded dibromine molecules in crystal structures of organic salts and cocrystals, and a study of the geometries and complexities in polybromide anion systems. In addition, we present four case studies of organic structures with bromide, tribromide and polybromide anions as well as the neutral dibromine molecule. These include the first observed crystal with diprotonated phenazine, a double salt of phenazinium bromide and tribromide, a cocrystal of 4-methoxypyridine with the neutral dibromine molecule as a halogen bond donor, as well as bis(4-methoxypyridine)bromonium polybromide. Structural features of the four case studies are in the most part consistent with the statistically prevalent behaviour indicated by the CSD study for given bromine species, although they do exhibit some unorthodox structural features and in that indicate possible supramolecular causes for aberrations from the statistically most abundant (and presumably most favourable) geometries.

Radiationless decay, fission and fusion of excitons in irradiated molecular crystals

International Nuclear Information System (INIS)

Klein, Gerard.

1977-01-01

The creation and evolution of excited states in ionizing particle tracks were investigated. The passage of high energy ionizing particles in molecular crystals results in the formation of highly excited states which energy is generally above the molecular ionization potential. The theory of non radiative transitions, which describes the transitions from the highly excited states to the lowest singlet and triplet excitons S 1 and T 1 is developed. Among these non radiative transitions, the fission of singlet excitons into two singlet or triplet excitons of lower energies is studied experimentally. These results and a kinematics study of the S 1 and T 1 excitons in ionizing particle tracks were used to get a complete description of the scintillation. These results are in good agreement with the experimental measurements on the scintillation [fr

Ball-and-socket ankle joint

International Nuclear Information System (INIS)

Pistoia, F.; Ozonoff, M.B.; Wintz, P.; Hartford Hospital, CT

1987-01-01

The ball-and-socket ankle joint is a malformation of the ankle in which the articular surface of the talus is hemispherical in both the anteroposterior and lateral projections and has a congruent, concave tibial articular surface. Fourteen patients with this condition were identified retrospectively. Thirteen patients were thought to have the congenital type of ball-and-socket ankle joint which in many was associated with tarsal coalition, short limb, and ray fusion and deletion anomalies. One case of the acquired type, demonstrating less geometric rounding of the talar margins, was seen in a patient with myelomeningocele, probably resulting from sensory and motor deficits. Although the exact etiology of the congenital type is unknown, its association with other malformations suggests that the ball-and-socket ankle joint results from an overall maldevelopment of the ankle and foot. (orig.)

Molecular dynamics studies and quantification of the effect of chirality on the formation of liquid crystal mesophases

International Nuclear Information System (INIS)

Solymosi, Miklos

2002-01-01

Results are presented from theoretical studies and from a series of molecular dynamics simulations undertaken to quantify the effect of chirality on the formation of liquid crystal mesophases. In the theoretical studies we have proposed a scaled chiral index with a formulation which allows comparison to be made between molecules comprising different numbers of atoms. We have undertaken chirality calculations utilizing the proposed scaled chiral index, G 0S , for one optimized static molecular geometry for a range of liquid crystal chiral dopants and ferroelectric liquid crystal molecules. The scaled chiral index, G 0S , allows a rapid calculation to be made of a pseudoscalar quantity which shows a good correlation with the helical twisting power of liquid crystal chiral dopants in a nematic liquid crystal solvent. This could prove a powerful aid in the design of novel dopant molecules where the dopant is rigid and the helical twisting is predominantly a steric effect. The same scaled chirality index, G 0S , calculation for ferroelectric liquid crystal molecules hints at an inverse correlation with spontaneous polarization agreeing with some experimental results. The scaled chiral index is a chemically useful index that can also be decomposed into atomic or functional group contributions, thereby creating a new measure of the asymmetric potential of functional groups and their different possible substitution positions. In the molecular dynamics simulation studies we have investigated two three-site Gay-Berne models, one chiral and the other achiral, each with a rotated central site forming a zigzag shape. In the chiral model one of the end site was additionally rotated out of the plane of the other two sites by a chiral angle θ c . Results from the achiral phase simulations support the theory that steric molecular shape can be associated with a driving force that leads to the smectic A - smectic C phase transition since such a transition was observed in the achiral

Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals

International Nuclear Information System (INIS)

Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S.; Ravelo, Ramon

2000-01-01

We use multimillion-atom molecular dynamics simulations to study shock wave propagation in fcc crystals. As shown recently, shock waves along the direction form intersecting stacking faults by slippage along {111} close-packed planes at sufficiently high shock strengths. We find even more interesting behavior of shocks propagating in other low-index directions: for the case, an elastic precursor separates the shock front from the slipped (plastic) region. Shock waves along the direction generate a leading solitary wave train, followed (at sufficiently high shock speeds) by an elastic precursor, and then a region of complex plastic deformation. (c) 2000 The American Physical Society

Contributions of different degrees of freedom to thermal transport in the C60 molecular crystal

Science.gov (United States)

Kumar, Sushant; Shao, Cheng; Lu, Simon; McGaughey, Alan J. H.

2018-03-01

Three models of the C60 molecular crystal are studied using molecular dynamics simulations to resolve the roles played by intermolecular and intramolecular degrees of freedom (DOF) in its structural, mechanical, and thermal properties at temperatures between 35 and 400 K. In the full DOF model, all DOF are active. In the rigid body model, the intramolecular DOF are frozen, such that only center of mass (COM) translations and molecular rotations/librations are active. In the point mass model, the molecule is replaced by a point mass, such that only COM translations are active. The zero-pressure lattice constants and bulk moduli predicted from the three models fall within ranges of 0.15 and 20%. The thermal conductivity of the point mass model is the largest across the temperature range, showing a crystal-like temperature dependence (i.e., it decreases with increasing temperature) due to the presence of phonon modes associated with the COM translations. The rigid body model thermal conductivity is the smallest and follows two distinct regimes. It is crystal-like at low temperatures and becomes temperature invariant at high temperatures. The latter is typical of the behavior of an amorphous material. By calculating the rotational diffusion coefficient, the transition between the two regimes is found to occur at the temperature where the molecules begin to rotate freely. Above this temperature, phonons related to COM translations are scattered by the rotational DOF. The full DOF model thermal conductivity is larger than that of the rigid body model, indicating that intramolecular DOF contribute to thermal transport.

Transformation of Goethite to Hematite Nanocrystallines by High Energy Ball Milling

Directory of Open Access Journals (Sweden)

O. M. Lemine

2014-01-01

Full Text Available α-Fe2O3 nanocrystallines were prepared by direct transformation via high energy ball milling treatment for α-FeOOH powder. X-ray diffraction, Rietveld analysis, TEM, and vibrating sample magnetometer (VSM are used to characterize the samples obtained after several milling times. Phase identification using Rietveld analysis showed that the goethite is transformed to hematite nanocrystalline after 40 hours of milling. HRTEM confirm that the obtained phase is mostly a single-crystal structure. This result suggested that the mechanochemical reaction is an efficient way to prepare some iron oxides nanocrystallines from raw materials which are abundant in the nature. The mechanism of the formation of hematite is discussed in text.

Reactive-inspired ball-milling synthesis of an ODS steel: study of the influence of ball-milling and annealing

International Nuclear Information System (INIS)

Brocq, M.

2010-10-01

In the context of the development of new ODS (Oxide Dispersion Strengthened) steels as core materials in future nuclear reactors, we investigated a new process inspired by reactive ball-milling which consists in using YFe 3 andFe 2 O 3 as starting reactants instead of Y 2 O 3 to produce a dispersion of nano-oxides in a steel matrix and the influence of synthesis conditions on the nano-oxide characteristics were studied. For that aim, ODS steels were prepared by ball-milling and then annealed. Multi-scale characterizations were performed after each synthesis step, using notably atom probe tomography and small angle neutron scattering. The process inspired by reactive ball-milling was shown to be efficient for ODS steel synthesis, but it does not modify the nano-oxide characteristics as compared to those of oxides directly incorporated in the matrix by ball-milling. Broadly speaking, the nature of the starting oxygen bearing reactants has no influence on nano-oxide formation. Moreover, we showed that the nucleation of nano-oxides nucleation can start during milling and continues during annealing with a very fast kinetic. The final characteristics of nano-oxides formed in this way can be monitored through ball-milling parameters (intensity, temperature and atmosphere) and annealing parameters (duration and temperature). (author)

CFD Analysis of Swing of Cricket Ball and Trajectory Prediction

Science.gov (United States)

G, Jithin; Tom, Josin; Ruishikesh, Kamat; Jose, Jyothish; Kumar, Sanjay

2013-11-01

This work aims to understand the aerodynamics associated with the flight and swing of a cricket ball and predict its flight trajectory over the course of the game: at start (smooth ball) and as the game progresses (rough ball). Asymmetric airflow over the ball due to seam orientation and surface roughness can cause flight deviation (swing). The values of Drag, Lift and Side forces which are crucial for determining the trajectory of the ball were found with the help of FLUENT using the standard K- ɛ model. Analysis was done to study how the ball velocity, spin imparted to be ball and the tilt of the seam affects the movement of the ball through air. The governing force balance equations in 3 dimensions in combination a MATLAB code which used Heun's method was used for obtaining the trajectory of the ball. The conditions for the conventional swing and reverse swing to occur were deduced from the analysis and found to be in alignment with the real life situation. Critical seam angle for maximum swing and transition speed for normal to reverse swing were found out. The obtained trajectories were compared to real life hawk eye trajectories for validation. The analysis results were in good agreement with the real life situation.

Training simulator for teaching a technique to the long transmission of ball in basket-ball by a method by an arcuated hand from above with threaten

Directory of Open Access Journals (Sweden)

Charikova K.M.

2012-03-01

Full Text Available Technical devices which used in basket-ball are considered. The features of constructing of trainers and method of their application are selected in a training process. A trainer is offered for teaching a technique to the long transmission of ball in basket-ball. A trainer is a moving on a rope imitator of basket-ball ball. This construction allows to design initial position, замах for implementation of transmission and line of acceleration of ball in the final phase of motion. The method of the use of trainer is developed in an educational process.

Ball lightning as a route to fusion energy

International Nuclear Information System (INIS)

Roth, J.R.

1989-01-01

The reality of ball lightning is attested to by observations reported in surveys of large populations, which are the subject of several books. These observations indicate that its characteristics may be relevant to fusion energy applications. Ball lightning can have a diameter up to several meters, a lifetime of over 100 seconds, an energy content in excess of 10 megajoules, and an energy density and a kinetic pressure greater than that of a reacting DT plasma. This paper reviews some of the properties of ball lightning which commend it to the attention of the fusion community, and it discusses some potential advantages and applications of ball lightning fusion reactors. 11 refs., 6 figs., 1 tab

Effect of panel shape of soccer ball on its flight characteristics

Science.gov (United States)

Hong, Sungchan; Asai, Takeshi

2014-05-01

Soccer balls are typically constructed from 32 pentagonal and hexagonal panels. Recently, however, newer balls named Cafusa, Teamgeist 2, and Jabulani were respectively produced from 32, 14, and 8 panels with shapes and designs dramatically different from those of conventional balls. The newest type of ball, named Brazuca, was produced from six panels and will be used in the 2014 FIFA World Cup in Brazil. There have, however, been few studies on the aerodynamic properties of balls constructed from different numbers and shapes of panels. Hence, we used wind tunnel tests and a kick-robot to examine the relationship between the panel shape and orientation of modern soccer balls and their aerodynamic and flight characteristics. We observed a correlation between the wind tunnel test results and the actual ball trajectories, and also clarified how the panel characteristics affected the flight of the ball, which enabled prediction of the trajectory.

An early record of ball lightning: Oliva (Spain), 1619

Science.gov (United States)

Domínguez-Castro, Fernando

2018-05-01

In a primary documentary source we found an early record of ball lightning (BL), which was observed in the monastery of Pi (Oliva, southeastern Spain) on 18 October 1619. The ball lightning was observed by at least three people and was described as a rolling burning vessel and a ball of fire. The ball lightning appeared following a lightning flash, showed a mainly horizontal motion, crossed a wall, smudged an image of the Lady of Rebollet (then known as Lady of Pi) and burnt her ruff, and overturned a cross.

Molecular dynamics on diffusive time scales from the phase-field-crystal equation.

Science.gov (United States)

Chan, Pak Yuen; Goldenfeld, Nigel; Dantzig, Jon

2009-03-01

We extend the phase-field-crystal model to accommodate exact atomic configurations and vacancies by requiring the order parameter to be non-negative. The resulting theory dictates the number of atoms and describes the motion of each of them. By solving the dynamical equation of the model, which is a partial differential equation, we are essentially performing molecular dynamics simulations on diffusive time scales. To illustrate this approach, we calculate the two-point correlation function of a fluid.

Tracking of ball and players in beach volleyball videos.

Directory of Open Access Journals (Sweden)

Gabriel Gomez

Full Text Available This paper presents methods for the determination of players' positions and contact time points by tracking the players and the ball in beach volleyball videos. Two player tracking methods are compared, a classical particle filter and a rigid grid integral histogram tracker. Due to mutual occlusion of the players and the camera perspective, results are best for the front players, with 74,6% and 82,6% of correctly tracked frames for the particle method and the integral histogram method, respectively. Results suggest an improved robustness against player confusion between different particle sets when tracking with a rigid grid approach. Faster processing and less player confusions make this method superior to the classical particle filter. Two different ball tracking methods are used that detect ball candidates from movement difference images using a background subtraction algorithm. Ball trajectories are estimated and interpolated from parabolic flight equations. The tracking accuracy of the ball is 54,2% for the trajectory growth method and 42,1% for the Hough line detection method. Tracking results of over 90% from the literature could not be confirmed. Ball contact frames were estimated from parabolic trajectory intersection, resulting in 48,9% of correctly estimated ball contact points.

Tracking of Ball and Players in Beach Volleyball Videos

Science.gov (United States)

Gomez, Gabriel; Herrera López, Patricia; Link, Daniel; Eskofier, Bjoern

2014-01-01

This paper presents methods for the determination of players' positions and contact time points by tracking the players and the ball in beach volleyball videos. Two player tracking methods are compared, a classical particle filter and a rigid grid integral histogram tracker. Due to mutual occlusion of the players and the camera perspective, results are best for the front players, with 74,6% and 82,6% of correctly tracked frames for the particle method and the integral histogram method, respectively. Results suggest an improved robustness against player confusion between different particle sets when tracking with a rigid grid approach. Faster processing and less player confusions make this method superior to the classical particle filter. Two different ball tracking methods are used that detect ball candidates from movement difference images using a background subtraction algorithm. Ball trajectories are estimated and interpolated from parabolic flight equations. The tracking accuracy of the ball is 54,2% for the trajectory growth method and 42,1% for the Hough line detection method. Tracking results of over 90% from the literature could not be confirmed. Ball contact frames were estimated from parabolic trajectory intersection, resulting in 48,9% of correctly estimated ball contact points. PMID:25426936

Supersymmetric dark-matter Q-balls and their interactions in matter

International Nuclear Information System (INIS)

Kusenko, Alexander; Loveridge, Lee C.; Shaposhnikov, Mikhail

2005-01-01

Supersymmetric extensions of the Standard Model contain nontopological solitons, Q-balls, which can be stable and can be a form of cosmological dark matter. Understanding the interaction of SUSY Q-balls with matter fermions is important for both astrophysical limits and laboratory searches for these dark-matter candidates. We show that a baryon scattering off a baryonic SUSY Q-ball can convert into its antiparticle with a high probability, while the baryon number of the Q-ball is increased by two units. For a SUSY Q-ball interacting with matter, this process dominates over those previously discussed in the literature

Pressure-induced phase transitions in organic molecular crystals: a combination of x-ray single-crystal and powder diffraction, raman and IR-spectroscopy

International Nuclear Information System (INIS)

Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N; Sowa, H; Ahsbahs, H; Chernyshev, V V; Dmitriev, V P

2008-01-01

The contribution summarizes the results of recent studies of phase transitions induced by high pressure in a number of molecular organic crystals, such as polymorphs of paracetamol, chlorpropamide, polymorphs of glycine, L- and DL-serine, β-alanine. The main attention is paid to the following topics: (1) Reversible / irreversible transformations; (2) Different behavior of single crystals / powders; (3) The role of pressure-transmitting liquid; (4) The role of the kinetic factors: phase transitions on decompression, or after a long storage at a selected pressure; (5) Isosymmetric phase transitions; (6) The role of the changes in the hydrogen bond networks / intramolecular conformational changes in the phase transitions; (7) Superstructures / nanostructures formed as a result of pressure-induced phase transitions

Pressure-induced phase transitions in organic molecular crystals: a combination of x-ray single-crystal and powder diffraction, raman and IR-spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N [Research and Education Center ' Molecular Design and Ecologically Safe Technologies' , REC-008, Novosibirsk State University (Russian Federation); Sowa, H [Goettingen University (Germany); Ahsbahs, H; Chernyshev, V V [Marburg University (Germany); Dmitriev, V P [Swiss-Norwegian Beamline ESRF, Grenoble (France)], E-mail: boldyrev@nsu.ru

2008-07-15

The contribution summarizes the results of recent studies of phase transitions induced by high pressure in a number of molecular organic crystals, such as polymorphs of paracetamol, chlorpropamide, polymorphs of glycine, L- and DL-serine, {beta}-alanine. The main attention is paid to the following topics: (1) Reversible / irreversible transformations; (2) Different behavior of single crystals / powders; (3) The role of pressure-transmitting liquid; (4) The role of the kinetic factors: phase transitions on decompression, or after a long storage at a selected pressure; (5) Isosymmetric phase transitions; (6) The role of the changes in the hydrogen bond networks / intramolecular conformational changes in the phase transitions; (7) Superstructures / nanostructures formed as a result of pressure-induced phase transitions.

Micro structrual characterization and analysis of ball milled silicon carbide

Science.gov (United States)

Madhusudan, B. M.; Raju, H. P.; Ghanaraja., S.

2018-04-01

Mechanical alloying has been one of the prominent methods of powder synthesis technique in solid state involving cyclic deformation, cold welding and fracturing of powder particles. Powder particles in this method are subjected to greater mechanical deformation due to the impact of ball-powder-ball and ball-powder-container collisions that occurs during mechanical alloying. Strain hardening and fracture of particles decreases the size of the particles and creates new surfaces. The objective of this Present work is to use ball milling of SiC powder for different duration of 5, 10, 15 and 20 hours by High energy planetary ball milling machine and to evaluate the effect of ball milling on SiC powder. Micro structural Studies using Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD) and EDAX has been investigated.

Characterization of molecular associations involving L-ornithine and α-ketoglutaric acid: crystal structure of L-ornithinium α-ketoglutarate.

Science.gov (United States)

Allouchi, H; Céolin, R; Berthon, L; Tombret, F; Rietveld, I B

2014-07-01

The crystal structure of L-ornithinium α-ketoglutarate (C5H13N2O2, C5H5O5) has been solved by direct methods using single crystal X-ray diffraction data. It crystallizes in the monoclinic system, space group P21, unit cell parameters a=15.4326(3), b=5.2015(1), c=16.2067(3) Å and β=91.986(1)°, containing two independent pairs of molecular ions in the asymmetric unit. An extensive hydrogen-bond network and electrostatic charges due to proton transfer provide an important part of the cohesive energy of the crystal. The conformational versatility of L-ornithine and α-ketoglutaric acid is illustrated by the present results and crystal structures available from the Cambridge Structural Database. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

Water Bouncing Balls: how material stiffness affects water entry

Science.gov (United States)

Truscott, Tadd

2014-03-01

It is well known that one can skip a stone across the water surface, but less well known that a ball can also be skipped on water. Even though 17th century ship gunners were aware that cannonballs could be skipped on the water surface, they did not know that using elastic spheres rather than rigid ones could greatly improve skipping performance (yet would have made for more peaceful volleys). The water bouncing ball (Waboba®) is an elastic ball used in a game of aquatic keep away in which players pass the ball by skipping it along the water surface. The ball skips easily along the surface creating a sense that breaking the world record for number of skips could easily be achieved (51 rock skips Russell Byers 2007). We investigate the physics of skipping elastic balls to elucidate the mechanisms by which they bounce off of the water. High-speed video reveals that, upon impact with the water, the balls create a cavity and deform significantly due to the extreme elasticity; the flattened spheres resemble skipping stones. With an increased wetted surface area, a large hydrodynamic lift force is generated causing the ball to launch back into the air. Unlike stone skipping, the elasticity of the ball plays an important roll in determining the success of the skip. Through experimentation, we demonstrate that the deformation timescale during impact must be longer than the collision time in order to achieve a successful skip. Further, several material deformation modes can be excited upon free surface impact. The effect of impact velocity and angle on the two governing timescales and material wave modes are also experimentally investigated. Scaling for the deformation and collision times are derived and used to establish criteria for skipping in terms of relevant physical parameters.

Density functional/molecular dynamics simulations of nucleus-driven crystallization of amorphous Ge2Sb2Te5

Energy Technology Data Exchange (ETDEWEB)

Akola, Jaakko [Department of Physics, Tampere University of Technology (Finland); COMP Centre of Excellence, Department of Applied Physics, Aalto University (Finland); GRSS and PGI-1, Forschungszentrum Juelich (Germany); Kalikka, Janne; Larrucea, Julen [Nanoscience Center, Department of Physics, University of Jyvaeskylae (Finland); Jones, Robert O. [GRSS and PGI-1, Forschungszentrum Juelich (Germany)

2013-07-01

Early stages of nucleus-driven crystallization of the prototype phase change material Ge{sub 2}Sb{sub 2}Te{sub 5} have been studied by massively-parallel density functional/molecular dynamics simulations for amorphous samples (460 and 648 atoms) at 500, 600, and 700 K. All systems assumed a fixed cubic seed of 58 atoms and 6 vacancies in order to achieve sub-nanosecond phase transition. Crystallization occurs within 600 ps for the 460-atom system at 600 and 700 K, and signs of crystallization (nucleus growth, percolation) are present in the others. Crystallization is accompanied by an increase in the number of ABAB squares (A: Ge,Sb, B: Te), and atoms of all elements move significantly. The evolution of cavities/vacancies is closely monitored. The existence of Te-Te, Ge-Ge, Ge-Sb, and Sb-Sb (wrong) bonds is an inevitable consequence of rapid crystallization.

BALL KINEMATICS IN FINE POLISHING BETWEEN MISALIGNED DISKS IN CONIC OPENINGS

Directory of Open Access Journals (Sweden)

K. G. Shchetnikovich

2009-01-01

Full Text Available The paper considers ball kinematics in polishing between misaligned disks rotating with equal angular velocity; one of these disks has conic openings. Analytical dependences have been obtained for calculation of an angular velocity and ball sliding speed in the conic opening. It has been revealed that at a constant contact of a ball with elastic coating of a flat disk and absence of vibrations in the technological system an instantaneous axis of ball rotation does not change its position in the moving ball. It has been ascertained that when a ball is in contact with a flat disk having elastic coating with grooves changes in the position of ball rotation instantaneous axis have a regular character and do not depend on vibrations in the technological system.

High pressure 129I Moessbauer studies of GeI4 molecular crystals

International Nuclear Information System (INIS)

Pasternak, M.P.; Taylor, R.D.

1989-01-01

The Moessbauer effect in 129 I in conjunction with Diamond-Anvil-Cell high pressure techniques was applied to investigate the high pressure phase(s) of the molecular crystal GeI 4 . The 129 I Quadrupole Interaction was the main probe for characterizing the intermolecular structural transformation with pressure. With increasing pressure, at about 15 GPAa, the onset of a partial molecular-association phase (HP1) is first observed. In HP1 two out of the four iodines strongly overlap to form linear chains of GeI 4 . The HP1 phase coexists with the low pressure (LP) molecular phase, but its population increases with increasing pressure. At P ∼20 GPa a second high pressure phase (HP2) is identified where all four iodines strongly overlap to form a three dimensional, fully molecular-associated structure. With increasing pressure and at P > 20 GPa, HP2 is the only phase up to P = 34 GPa, the highest pressure used. A significant hysteresis of the relative abundances with pressure is observed. The isomer shift of the HP2 and HP1 structures is considerably larger than that of the LP one. 11 refs., 3 figs

High pressure 129I Moessbauer studies of GeI4 molecular crystals

International Nuclear Information System (INIS)

Pasternak, M.P.; Los Alamos National Lab.; Taylor, R.D.

1990-01-01

The Moessbauer effect in 129 I in cunjunction with Diamond-Anvil-Cell high pressure techniques was applied to investigate the high pressure phase(s) of the molecular crystal GeI 4 . The 129 I Quadrupole Interaction was the main probe for characterizing the intermolecular structural transformation with pressure. With increasing pressure, at about 15 GPa, the onset of a partial molecular-association phase (HP1) is first observed. In HP1 two out of the four iodines strongly overlap to form linear chains of GeI 4 . The HP1 phase coexists with the low pressure (LP) molecular phase, but its population increases with increasing pressure. At P≅20 GPa a second high pressure phase (HP2) is identified where all four iodines strongly overlap to form a three dimensional, fully molecular-associated structure. With increasing pressure and at P>20 GPa, HP2 is the only phase up to P=34 GPa, the highest pressure used. A significant hysteresis of the relative abundances with pressure is observed. The isomer shift of the HP2 and HP1 structures is considerably larger than that of the LP one. (orig.)

FT-IR, FT-Raman, and DFT computational studies of melaminium nitrate molecular-ionic crystal

Science.gov (United States)

Tanak, Hasan; Marchewka, Mariusz K.

2013-02-01

The experimental and theoretical vibrational spectra of melaminium nitrate were studied. The Raman and infrared (FT-IR) spectra of the melaminium nitrate and its deuterated analogue were recorded in the solid phase. Molecular geometry and vibrational frequency values of melaminium nitrate in the electronic ground state were calculated using the density functional method (B3LYP) with the 6-31++G(d,p) basis set. The calculated results show that the optimized geometry can well reproduce the crystal structure, and the theoretical vibrational frequency values show good agreement with experimental values. The NBO analysis reveals that the N-H···O and N-H···N intermolecular interactions significantly influence crystal packing in this molecule.

Improved hydrogen sorption kinetics in wet ball milled Mg hydrides

Energy Technology Data Exchange (ETDEWEB)

Meng, Li

2011-05-04

In this work, wet ball milling method is used in order to improve hydrogen sorption behaviour due to its improved microstructure of solid hydrogen materials. Compared to traditional ball milling method, wet ball milling has benefits on improvement of MgH{sub 2} microstructure and further influences on its hydrogen sorption behavior. With the help of solvent tetrahydrofuran (THF), wet ball milled MgH{sub 2} powder has much smaller particle size and its specific surface area is 7 times as large as that of dry ball milled MgH{sub 2} powder. Although after ball milling the grain size is decreased a lot compared to as-received MgH{sub 2} powder, the grain size of wet ball milled MgH{sub 2} powder is larger than that of dry ball milled MgH{sub 2} powder due to the lubricant effect of solvent THF during wet ball milling. The improved particle size and specific surface area of wet ball milled MgH{sub 2} powder is found to be determining its hydrogen sorption kinetics especially at relatively low temperatures. And it also shows good cycling sorption behavior, which decides on its industrial applicability. With three different catalysts MgH{sub 2} powder shows improved hydrogen sorption behavior as well as the cyclic sorption behavior. Among them, the Nb{sub 2}O{sub 5} catalyst is found to be the most effective one in this work. Compared to the wet ball milled MgH{sub 2} powder, the particle size and specific surface area of the MgH{sub 2} powder with catalysts are similar to the previous ones, while the grain size of the MgH{sub 2} with catalysts is much finer. In this case, two reasons for hydrogen sorption improvement are suggested: one is the reduction of the grain size. The other may be as pointed out in some literatures that formation of new oxidation could enhance the hydrogen sorption kinetics, which is also the reason why its hydrogen capacity is decreased compared to without catalysts. After further ball milling, the specific surface area of wet ball milled Mg

Synthesis, crystal growth and characterization of bioactive material: 2-amino-1H-benzo[d]imidazol-3-ium salicylate single crystal-a proton transfer molecular complex

Science.gov (United States)

Fathima, K. Saiadali; Anitha, K.

2017-05-01

The 1:1 molecular adducts 2-aminobenzimidazolium salicylate (ABIS) single crystal was synthesized and grown from 2-aminobenzimidazole (ABI) as a donor and salicylic acid (SA) as an acceptor. The cell parameter was determined using single crystal X-Ray diffraction method and the complex ABIS belongs to monoclinic system. The spectroscopic studies showed that ABIS crystal was an ion pair complex. The FTIR and Raman spectra showed that the presence of O-H, C=N, C=O vibration which confirms the proton transfer from SA to ABI. The UV-Vis spectrum exhibited a visible band at 359nm for ABIS due to the salicylate anion of the molecule. Further the antimicrobial activity of ABIS complex against Staphylococcus aureus, klebsiella pneumonia, Pseudomonas eruginos and E.coli pathogens was investigated. So the complex molecule inhibits both Gram positive and Gram negative bacterial. It is found that benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of ABIS crystal.

Wear-testing of a temporomandibular joint prosthesis : UHMWPE and PTFE against a metal ball, in water and in serum

NARCIS (Netherlands)

Van Loon, JP; Verkerke, GJ; de Bont, LGM; Liem, RSB

For a temporomandibular joint prosthesis, an estimation of the wear rate was needed, prior to patient application. Therefore, we determined the in vitro wear rate of the ball-socket articulation of this prosthesis, consisting of a metal head and an ultra-high molecular weight polyethylene (UHMWPE)

BLEACHING NEPTUNE BALLS

Directory of Open Access Journals (Sweden)

BONET Maria Angeles

2014-05-01

Full Text Available Posidonia Oceanic is a seaweed from Mediterranean Sea and it is more concentrated at the Balerian SEA. This implies the Valencian Community also. It forms vaste underwater meadows in the sea and are part of the Mediterranean ecosystem. It is a sea-grass specie with fruits and flowers. Leaves are ribbon-like and they grow in winter and at the end of summer some of them are separated and arrive to some sea line. Fuit is separated and can floate, it is known as “the olive of the sea” mainly in Italy, or as the Neptune Balls. As it can be used in different fields, it is is being studied in order ro have the precitice tests. Some authors have reported the manufacturing of fully bio-based comites with a gluten matrix by hot-press molding. And it has been considered as an effective insulator for building industry or even though to determine the presence of mercure in the Mediterranean sea some years ago. As many applications can be designed from that fibers, it has been considered to be bleached in order to used them in fashionable products. Consequently, its original brown color is not the most suitable one and it should be bleached as many other cellulosic fibers. The aim of this paper is to bleache neptune balls however, the inner fibers were not accessible at all and it implied not to bleach the inner fibers in the neptune ball. Further studiesd will consider bleaching the individualized fibers.

Ab initio electronic structure and correlations in pristine and potassium-doped molecular crystals of copper phthalocyanine

NARCIS (Netherlands)

Giovannetti, G.; Brocks, G.; van den Brink, J.

2008-01-01

We investigate the effect that potassium intercalation has on the electronic structure of copper phthalocyanine (CuPc) molecular crystals by means of ab initio density functional calculations. Pristine CuPc (in its alpha and beta structures) is found to be an insulator containing local magnetic

Stability of a Fermi ball against deformation from spherical shape

International Nuclear Information System (INIS)

Yoshida, T.; Ogure, K.; Arafune, J.

2003-01-01

The stability of a Fermi ball (F ball), which is a kind of nontopological soliton accompanying the breakdown of the approximate Z 2 symmetry, is investigated in three situations: when it is electrically neutral, when it is electrically charged and unscreened, and when it is electrically charged and screened. We argue only that the third case is physically meaningful since the neutral F ball is unstable and the case of an unscreened charged F ball is observationally excluded when it has a sizable contribution to CDM. We find that the energy scale of the breakdown of the approximate Z 2 symmetry v should satisfy v 6 GeV if the F ball is the main component of CDM

Soccer Ball Lift Coefficients via Trajectory Analysis

Science.gov (United States)

Goff, John Eric; Carre, Matt J.

2010-01-01

We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin…

Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models.

Directory of Open Access Journals (Sweden)

Catherine L Worth

Full Text Available BACKGROUND: Up until recently the only available experimental (high resolution structure of a G-protein-coupled receptor (GPCR was that of bovine rhodopsin. In the past few years the determination of GPCR structures has accelerated with three new receptors, as well as squid rhodopsin, being successfully crystallized. All share a common molecular architecture of seven transmembrane helices and can therefore serve as templates for building molecular models of homologous GPCRs. However, despite the common general architecture of these structures key differences do exist between them. The choice of which experimental GPCR structure(s to use for building a comparative model of a particular GPCR is unclear and without detailed structural and sequence analyses, could be arbitrary. The aim of this study is therefore to perform a systematic and detailed analysis of sequence-structure relationships of known GPCR structures. METHODOLOGY: We analyzed in detail conserved and unique sequence motifs and structural features in experimentally-determined GPCR structures. Deeper insight into specific and important structural features of GPCRs as well as valuable information for template selection has been gained. Using key features a workflow has been formulated for identifying the most appropriate template(s for building homology models of GPCRs of unknown structure. This workflow was applied to a set of 14 human family A GPCRs suggesting for each the most appropriate template(s for building a comparative molecular model. CONCLUSIONS: The available crystal structures represent only a subset of all possible structural variation in family A GPCRs. Some GPCRs have structural features that are distributed over different crystal structures or which are not present in the templates suggesting that homology models should be built using multiple templates. This study provides a systematic analysis of GPCR crystal structures and a consistent method for identifying

Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models.

Science.gov (United States)

Worth, Catherine L; Kleinau, Gunnar; Krause, Gerd

2009-09-16

Up until recently the only available experimental (high resolution) structure of a G-protein-coupled receptor (GPCR) was that of bovine rhodopsin. In the past few years the determination of GPCR structures has accelerated with three new receptors, as well as squid rhodopsin, being successfully crystallized. All share a common molecular architecture of seven transmembrane helices and can therefore serve as templates for building molecular models of homologous GPCRs. However, despite the common general architecture of these structures key differences do exist between them. The choice of which experimental GPCR structure(s) to use for building a comparative model of a particular GPCR is unclear and without detailed structural and sequence analyses, could be arbitrary. The aim of this study is therefore to perform a systematic and detailed analysis of sequence-structure relationships of known GPCR structures. We analyzed in detail conserved and unique sequence motifs and structural features in experimentally-determined GPCR structures. Deeper insight into specific and important structural features of GPCRs as well as valuable information for template selection has been gained. Using key features a workflow has been formulated for identifying the most appropriate template(s) for building homology models of GPCRs of unknown structure. This workflow was applied to a set of 14 human family A GPCRs suggesting for each the most appropriate template(s) for building a comparative molecular model. The available crystal structures represent only a subset of all possible structural variation in family A GPCRs. Some GPCRs have structural features that are distributed over different crystal structures or which are not present in the templates suggesting that homology models should be built using multiple templates. This study provides a systematic analysis of GPCR crystal structures and a consistent method for identifying suitable templates for GPCR homology modelling that will

The effect of intermediate stop and ball size in fabrication of recycled steel powder using ball milling from machining steel chips

International Nuclear Information System (INIS)

Fitri, M.W.M.; Shun, C.H.; Rizam, S.S.; Shamsul, J.B.

2007-01-01

A feasibility study for producing recycled steel powder from steel scrap by ball milling was carried out. Steel scrap from machining was used as a raw material and was milled using planetary ball milling. Three samples were prepared in order to study the effect of intermediate stop and ball size. Sample with intermediate stop during milling process showed finer particle size compared to the sample with continuous milling. Decrease in the temperature of the vial during the intermediate stop milling gives less ductile behaviour to the steel powder, which is then easily work-hardened and fragmented to fine powder. Mixed small and big size ball give the best production of recycled steel powder where it gives higher impact force to the scrap and accelerate the fragmentation of the steel scrap into powder. (author)

Effect of Ball Weight on Speed, Accuracy, and Mechanics in Cricket Fast Bowling

Directory of Open Access Journals (Sweden)

Katharine L. Wickington

2017-02-01

Full Text Available The aims of this study were: (1 to quantify the acute effects of ball weight on ball release speed, accuracy, and mechanics in cricket fast bowling; and (2 to test whether a period of sustained training with underweight and overweight balls is effective in increasing a player’s ball release speed. Ten well-trained adult male cricket players performed maximum-effort deliveries using balls ranging in weight from 46% to 137% of the standard ball weight (156 g. A radar gun, bowling target, and 2D video analysis were used to obtain measures of ball speed, accuracy, and mechanics. The participants were assigned to either an intervention group, who trained with underweight and overweight balls, or to a control group, who trained with standard-weight balls. We found that ball speed decreased at a rate of about 1.1 m/s per 100 g increase in ball weight. Accuracy and bowling mechanics were not adversely affected by changes in ball weight. There was evidence that training with underweight and overweight balls might have produced a practically meaningful increase in bowling speed (>1.5 m/s in some players without compromising accuracy or increasing their risk of injury through inducing poor bowling mechanics. In cricket fast bowling, a wide range of ball weight might be necessary to produce an effective modified-implement training program.

Optical studies of metallo-dielectric photonic crystals

Science.gov (United States)

Kamaev, Vladimir

2007-12-01

Metallo-dielectric photonic crystals (MDPCs) are characterized by a large difference between the dielectric constants of the constituents. Owing to their high DC conductivity a broad omnidirectional band gap is formed at low frequencies. At the same time there exist numerous propagating electromagnetic modes at frequencies above a cutoff. This gives a possibility of creating a "transparent" metal: a crystal transparent in the visible spectral range and simultaneously having high DC conductivity. Since the cutoff wavelength linearly scales with the crystal periodicity, in order to make an MDPC with propagating modes in the visible range the crystal periodicity has to be around a quarter micrometer. Fabrication of such a crystal is a challenging task. One of the feasible choices is natural or artificial opals, structures made of silica balls arranged into a close packed fcc lattice. The ball diameters could vary from 200 nm to several microns, allowing the desired optical features to be in the visible spectral range. In the present work we studied metal-infiltrated opals numerically, analytically, and experimentally (Chapters 1 and 4). Both theory and experiment revealed high reflectance of the samples at large wavelengths associated with the low frequency metallic band gap formation, and low reflectance at short wavelengths that has characteristic wiggles. Contrarily, the absorbance is low in the IR region and goes up towards the UV end, which is due to low group velocity of light and high metal absorption in the region. Numerical analysis of thin metal-infiltrated opals (˜3-5 layers) did show a transmission peak around the first reflectance minimum and cutoff frequency. In Chapter 5 we present transmission experiments on thin metal films perforated with periodic arrays of holes or deposited on an opal monolayer. Both types of 2D MDPCs exhibited anomalous transmission peaks associated with surface plasma excitations. It was shown that the phenomenon could be

Visualization of air flow around soccer ball using a particle image velocimetry

Science.gov (United States)

Hong, Sungchan; Asai, Takeshi; Seo, Kazuya

2015-10-01

A traditional soccer ball is constructed using 32 pentagonal and hexagonal panels. In recent years, however, the likes of the Teamgeist and Jabulani balls, constructed from 14 and 8 panels, respectively, have entered the field, marking a significant departure from conventionality in terms of shape and design. Moreover, the recently introduced Brazuca ball features a new 6-panel design and has already been adopted by many soccer leagues. However, the shapes of the constituent panels of these balls differ substantially from those of conventional balls. Therefore, this study set out to investigate the flight and aerodynamic characteristics of different orientations of the soccer ball, which is constructed from panels of different shapes. A wind tunnel test showed substantial differences in the aerodynamic forces acting on the ball, depending on its orientation. Substantial differences were also observed in the aerodynamic forces acting on the ball in different directions, corresponding to its orientation and rotation. Moreover, two-dimensional particle image velocimetry (2D-PIV) measurements showed that the boundary separation varies depending on the orientation of the ball. Based on these results, we can conclude that the shape of the panels of a soccer ball substantially affects its flight trajectory.

Molecular assembly and electro polymerization of 3,4-ethylenedioxy thiophene on Au(100) single crystal electrode using in-situ electrochemical scanning tunneling microscopy

International Nuclear Information System (INIS)

Garcia, Jonyl L.; Tongol, Bernard John V.; ShuehLin Yau

2012-01-01

Electrochemical scanning tunneling microscopy (Ec-STM) is a powerful technique that can provide molecular-level information regarding electrode surface processes in-situ in electrolyte solvent under ambient conditions. In this study, the adsorption and electro polymerization of an industrially important conducting polymer precursor, 3,4-ethylenedioxy thiophene (EDOT), on Au (100) single crystal was probed using Ec-STM. The Au (100) single crystal electrode substrate used for this study was fabricated using the well-known Clavilier's flame melting procedure. Cyclic voltammetry (CV) was used along with Ec-STM to characterize the bare, EDOT-modified, and poly(EDOT)-modified Au (100) single crystal electrode. Time-dependent Ec-STM imaging at 0.550 V showed the formation of an EDOT self-assembled monolayer through 2-D surface dillusion. The resulting EDOT molecular assembly on Au (100) single crystal electrode was found to fit in a 4√2χ3√2 unit cell. Difference in apparent corrugation between molecular rows was attributed to different angular orientation with respect to the substrate. The electro polymerization of EDOT on Au (100) single crystal electrode was done by potentiostatic and potentiodynamic methods. Both methods suggested a solution-process mechanism for EDOT electro polymerization. (author)

Hermitian harmonic maps into convex balls

International Nuclear Information System (INIS)

Li Zhenyang; Xi Zhang

2004-07-01

In this paper, we consider Hermitian harmonic maps from Hermitian manifolds into convex balls. We prove that there exist no non-trivial Hermitian harmonic maps from closed Hermitian manifolds into convex balls, and we use the heat flow method to solve the Dirichlet problem for Hermitian harmonic maps when the domain is compact Hermitian manifold with non-empty boundary. The case where the domain manifold is complete(noncompact) is also studied. (author)

Molecular Dynamics Modeling of PPTA Crystals in Aramid Fibers

Energy Technology Data Exchange (ETDEWEB)

Mercer, Brian Scott [Univ. of California, Berkeley, CA (United States)

2016-05-19

In this work, molecular dynamics modeling is used to study the mechanical properties of PPTA crystallites, which are the fundamental microstructural building blocks of polymer aramid bers such as Kevlar. Particular focus is given to constant strain rate axial loading simulations of PPTA crystallites, which is motivated by the rate-dependent mechanical properties observed in some experiments with aramid bers. In order to accommodate the covalent bond rupture that occurs in loading a crystallite to failure, the reactive bond order force eld ReaxFF is employed to conduct the simulations. Two major topics are addressed: The rst is the general behavior of PPTA crystallites under strain rate loading. Constant strain rate loading simulations of crystalline PPTA reveal that the crystal failure strain increases with increasing strain rate, while the modulus is not a ected by the strain rate. Increasing temperature lowers both the modulus and the failure strain. The simulations also identify the C N bond connecting the aromatic rings as weakest primary bond along the backbone of the PPTA chain. The e ect of chain-end defects on PPTA micromechanics is explored, and it is found that the presence of a chain-end defect transfers load to the adjacent chains in the hydrogen-bonded sheet in which the defect resides, but does not in uence the behavior of any other chains in the crystal. Chain-end defects are found to lower the strength of the crystal when clustered together, inducing bond failure via stress concentrations arising from the load transfer to bonds in adjacent chains near the defect site. The second topic addressed is the nature of primary and secondary bond failure in crystalline PPTA. Failure of both types of bonds is found to be stochastic in nature and driven by thermal uctuations of the bonds within the crystal. A model is proposed which uses reliability theory to model bonds under constant strain rate loading as components with time-dependent failure rate

Properties of Energy Spectra of Molecular Crystals Investigated by Nonlinear Theory

Science.gov (United States)

Pang, Xiao-Feng; Zhang, Huai-Wu

We calculate the quantum energy spectra of molecular crystals, such as acetanilide, by using discrete nonlinear Schrodinger equation, containing various interactions, appropriate to the systems. The energy spectra consist of many energy bands, in each energy band there are a lot of energy levels including some higher excited states. The result of energy spectrum is basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide and can also explain some experimental results obtained by Careri et al. Finally, we further discuss the influences of variously characteristic parameters on the energy spectra of the systems.

Assessment of head injury of children due to golf ball impact.

Science.gov (United States)

Lee, Heow Pueh; Wang, Fang

2010-10-01

Head trauma injury due to impact by a flying golf ball is one of the most severe possible injury accidents on the golf course. Numerical simulations based on the finite element method are presented to investigate head injury in children due to impact by a flying golf ball. The stress and energy flow patterns in a head model during the golf ball impact are computed for various combinations of striking speed, falling angle of the golf ball before impact, and impact location. It is found that a child is more prone to head injury due to golf ball impact on the frontal and side/temporal areas. The simulated results are found to conform to the clinical reports on children's head injuries from flying golf balls.

Ball check valve

International Nuclear Information System (INIS)

Bevilacqua, F.

1978-01-01

A pressurized nuclear reactor having an instrument assembly sheathed in a metallic tube which is extended vertically upward into the reactor core by traversing a metallic guide tube which is welded to the wall of the vessel is described. Sensors in each instrument assembly are connected to instruments outside the vessel to manifest the conditions within the core. Each instrument assembly probe is moved into position within a metallic guide channel. The guide channel penetrates the wall of the vessel and forms part of the barrier to the environment within the pressure vessel. Each channel includes a ball check valve which is opened by the instrument assembly probe when the probe passes through the valve. A ball valve element is moved from its seat by the probe to a position lateral of the bore of the channel and is guided to its seat along a sloped path within the valve body when the probe is removed. 5 claims, 3 figures

The development of cobalt-base alloy ball bearing

International Nuclear Information System (INIS)

Yu Xinshui; Chen Jianting; Wang Zaishu; Wang Ximei; Huang Chongming.

1986-01-01

The main technologies and experiences in developing a Cobalt-base alloy ball bearing are described. In the hardfacing of bearing races, a lower-hardness alloy of type St-6 is used rather than an alloy with hardness similar to that of the ball and finally the hardness of race is increased to match that of the ball by heat treatment. This improvement has certain advantages. The experience of whole developing technology indicates that strict control of the technology in the bearing-race hardfacing is the key problem in the quality assurance of bearings

Launch Creativity with Ping-Pong Ball Challenge

Science.gov (United States)

Kornoelje, Joanne; Roman, Harry T.

2011-01-01

Educators at Thomas A. Edison Middle School have worked together to bring invention information and activities to life. One activity in particular, Ping-Pong Ball Invention Challenge, has proven a great success. The Ping-Pong Ball Invention Challenge was inspired by the basic rules for PBS's "Design Squad"'s "Pop Fly" activity. In this article,…

Nonlinear dynamic model for skidding behavior of angular contact ball bearings

Science.gov (United States)

Han, Qinkai; Chu, Fulei

2015-10-01

A three-dimensional nonlinear dynamic model is proposed to predict the skidding behavior of angular contact ball bearings under combined load condition. The centrifugal and gyroscopic effects induced by ball rotation and revolution, Hertz contact between the ball and inner/outer races, discontinuous contact between the ball and cage and elastohydrodynamic lubrication are considered in the model. Through comparisons with the tested results of the reference, the dynamic model is verified. Based upon these, variations of ball slipping speed with time and space are discussed for the bearing under combined load condition. It is shown that radial load leads to the fluctuations in the slipping velocity of the ball contacting with inner/outer races, especially for the ball in load-decreasing regions. Adding the radial load would significantly increase the amplitude and range of slipping velocity, indicating that the skidding becomes more serious. As the ball still withstands contact load in the load-decreasing region, large slipping velocity would increase the temperature of both bearing and lubricant oil, intensify the wear and then might shorten the bearing service life. Therefore, the radial load should be considered carefully in the design and monitoring of rotating machinery.

Crystal Ball: On the Future High Energy Colliders

Energy Technology Data Exchange (ETDEWEB)

Shiltsev, Vladimir [Fermilab

2015-09-20

High energy particle colliders have been in the forefront of particle physics for more than three decades. At present the near term US, European and international strategies of the particle physics community are centered on full exploitation of the physics potential of the Large Hadron Collider (LHC) through its high-luminosity upgrade (HL-LHC). A number of next generation collider facilities have been proposed and are currently under consideration for the medium- and far-future of the accelerator-based high energy physics. In this paper we offer a uniform approach to evaluation of various accelerators based on the feasibility of their energy reach, performance reach and cost range. We briefly review such post-LHC options as linear e+e- colliders in Japan (ILC) or at CERN (CLIC), muon collider, and circular lepton or hadron colliders in China (CepC/SppC) and Europe (FCC). We conclude with a look into ultimate energy reach accelerators based on plasmas and crystals, and some perspectives for the far future of accelerator-based particle physics.

Random power series in the unit ball of Cn

International Nuclear Information System (INIS)

Shi Jihuai.

1989-07-01

The random power series in the unit disc has been studied by many authors. In this paper, we studied the random power series in the unit ball of C n and generalized some results in the unit disc to the unit ball, in particular, the result obtained recently by Duren has been generalized to the unit ball. The main tool used here is the generalized Salem-Zygmund's theorem. (author). 12 refs

Molecular Dynamic Simulation of Space and Earth-Grown Crystal Structures of Thermostable T1 Lipase Geobacillus zalihae Revealed a Better Structure.

Science.gov (United States)

Ishak, Siti Nor Hasmah; Aris, Sayangku Nor Ariati Mohamad; Halim, Khairul Bariyyah Abd; Ali, Mohd Shukuri Mohamad; Leow, Thean Chor; Kamarudin, Nor Hafizah Ahmad; Masomian, Malihe; Rahman, Raja Noor Zaliha Raja Abd

2017-09-25

Less sedimentation and convection in a microgravity environment has become a well-suited condition for growing high quality protein crystals. Thermostable T1 lipase derived from bacterium Geobacillus zalihae has been crystallized using the counter diffusion method under space and earth conditions. Preliminary study using YASARA molecular modeling structure program for both structures showed differences in number of hydrogen bond, ionic interaction, and conformation. The space-grown crystal structure contains more hydrogen bonds as compared with the earth-grown crystal structure. A molecular dynamics simulation study was used to provide insight on the fluctuations and conformational changes of both T1 lipase structures. The analysis of root mean square deviation (RMSD), radius of gyration, and root mean square fluctuation (RMSF) showed that space-grown structure is more stable than the earth-grown structure. Space-structure also showed more hydrogen bonds and ion interactions compared to the earth-grown structure. Further analysis also revealed that the space-grown structure has long-lived interactions, hence it is considered as the more stable structure. This study provides the conformational dynamics of T1 lipase crystal structure grown in space and earth condition.

Thermoelastoplastic Deformation of a Multilayer Ball

Science.gov (United States)

Murashkin, E. V.; Dats, E. P.

2017-09-01

The problem of centrally symmetric deformation of a multilayer elastoplastic ball in the process of successive accretion of preheated layers to its outer surface is considered in the framework of small elastoplastic deformations. The problems of residual stress formation in the elastoplastic ball with an inclusion and a cavity are solved under various mechanical boundary conditions on the inner surface and for prescribed thermal compression distributions. The graphs of residual stress and displacement fields are constructed.

Structure of fault stackings of molecular layers X-M-X in CdI2 polytypic crystals

International Nuclear Information System (INIS)

Palosz, B.; Przedmojski, J.

1984-01-01

The arrangements of molecular layers I-Cd-I, which may be regarded as 'faulted' for CdI 2 polytypic crystals, are analyzed. Tentative classification of faults into those which are intermediate structure between the basic polytypes 2H and 4H and faults occurring between different blocks of pure structure 4 H is proposed. The connection between some growth parameters and the structure of faults in CdI 2 crystals grown from solutions is discussed. It is shown that the geometrical classification of stacking faults used for layered inorganic crystals is not appropriate for the description of the faults existing in polytypic crystals of MX 2 type. The effect of weak external electric and magnetic fields on the polytypic structure of CdI 2 is analyzed. The experiments performed for several hundred of polytypes of CdI 2 showed that the external fields may, in some conditions, affect the organization of the polytypic structure of crystals very strongly. In particular, it was found that the external fields may change the period of polytype cells and that the relative number of hexagonal and rhombohedral polytypes differ very strongly for crystals grown in the absence and in the presence of external electric and magnetic fields. (author)

On the isoperimetric rigidity of extrinsic minimal balls

DEFF Research Database (Denmark)

Markvorsen, Steen; Palmer, V.

2003-01-01

We consider an m-dimensional minimal submanifold P and a metric R-sphere in the Euclidean space R-n. If the sphere has its center p on P, then it will cut out a well defined connected component of P which contains this center point. We call this connected component an extrinsic minimal R-ball of P....... The quotient of the volume of the extrinsic ball and the volume of its boundary is not larger than the corresponding quotient obtained in the space form standard situation, where the minimal submanifold is the totally geodesic linear subspace R-m. Here we show that if the minimal submanifold has dimension...... larger than 3, if P is not too curved along the boundary of an extrinsic minimal R-ball, and if the inequality alluded to above is an equality for the extrinsic minimal ball, then the minimal submanifold is totally geodesic....

A self-similar magnetohydrodynamic model for ball lightnings

International Nuclear Information System (INIS)

Tsui, K. H.

2006-01-01

Ball lightning is modeled by magnetohydrodynamic (MHD) equations in two-dimensional spherical geometry with azimuthal symmetry. Dynamic evolutions in the radial direction are described by the self-similar evolution function y(t). The plasma pressure, mass density, and magnetic fields are solved in terms of the radial label η. This model gives spherical MHD plasmoids with axisymmetric force-free magnetic field, and spherically symmetric plasma pressure and mass density, which self-consistently determine the polytropic index γ. The spatially oscillating nature of the radial and meridional field structures indicate embedded regions of closed field lines. These regions are named secondary plasmoids, whereas the overall self-similar spherical structure is named the primary plasmoid. According to this model, the time evolution function allows the primary plasmoid expand outward in two modes. The corresponding ejection of the embedded secondary plasmoids results in ball lightning offering an answer as how they come into being. The first is an accelerated expanding mode. This mode appears to fit plasmoids ejected from thundercloud tops with acceleration to ionosphere seen in high altitude atmospheric observations of sprites and blue jets. It also appears to account for midair high-speed ball lightning overtaking airplanes, and ground level high-speed energetic ball lightning. The second is a decelerated expanding mode, and it appears to be compatible to slowly moving ball lightning seen near ground level. The inverse of this second mode corresponds to an accelerated inward collapse, which could bring ball lightning to an end sometimes with a cracking sound

Structural and dynamical properties of Yukawa balls

International Nuclear Information System (INIS)

Block, D; Kroll, M; Arp, O; Piel, A; Kaeding, S; Ivanov, Y; Melzer, A; Henning, C; Baumgartner, H; Ludwig, P; Bonitz, M

2007-01-01

To study the structural and dynamical properties of finite 3D dust clouds (Yukawa balls) new diagnostic tools have been developed. This contribution describes the progress towards 3D diagnostics for measuring the particle positions. It is shown that these diagnostics are capable of investigating the structural and dynamical properties of Yukawa balls and gaining insight into their basic construction principles

Validity and Reliability of a Medicine Ball Explosive Power Test.

Science.gov (United States)

Stockbrugger, Barry A.; Haennel, Robert G.

2001-01-01

Evaluated the validity and reliability of a medicine ball throw test to evaluate explosive power. Data on competitive sand volleyball players who performed a medicine ball throw and a standard countermovement jump indicated that the medicine ball throw test was a valid and reliable way to assess explosive power for an analogous total-body movement…

Molecular beam studies of energy transfer in scattering from crystal surfaces

International Nuclear Information System (INIS)

Guthrie, W.L.

1983-01-01

The translational energy distributions and angular distributions of D 2 O produced from the reaction of incident D 2 and O 2 on a (111) platinum single crystal surface have been measured through the use of a molecular beam-surface scattering apparatus equipped with a time-of-flight spectrometer. The translation energies were measured over the surface temperature range T/sub s/ = 664 K - 913 K and at scattering angles of 7 0 and 40 0 from the surface normal. The D 2 O translational energy, , was found to be approximately half the equilibrium value over the temperature range examined, with /2k varying from 280 K to 480 K. These results are discussed in terms of a non-equilibrium desorption model. The two-photon ionization spectrometer was built to investigate the internal rotational and vibrational energy distributions of NO scattered from Pt(111) surfaces. The rotational energy distributions were measured over the crystal temperature range of T/sub s/ = 400 K - 1200 K. The translational energy distributions and angular distributions were measured using the time-of-flight spectrometer over the crystal temperature range of 400 K - 110 K and for beam translational energies of 0.046 eV, 0.11 eV and 0.24 eV, so that complete energy exchange information for translation, rotation and vibration is available for this gas-surface system. Significant energy transfer was observed in all three modes

Gas-discharge particle detector with ball-tipped anodes

International Nuclear Information System (INIS)

Travkin, V.I.; Khazins, D.M.

1987-01-01

A new gas-discharge particle detector, whose anode is a set of balls 2mm in diameter is investigated. The chamber is blowing down by the argon-methane-methylal gas mixture with the ratio 3:1:1. The detector operates in the self-quenching streamer mode, has high efficiency and a wide counting characteristic plateau. The maximum counting rate of particles at one ball is ∼ 2.5x10 4 s -1 . The ball-tipped anodes allow making reliable complex-shaped detectors. Two-coordinate detection of multiparticle events can be naturally organized in detectors like that

[Structure of crambin in solution, crystal and in the trajectories of molecular dynamics simulations].

Science.gov (United States)

Abaturov, L V; Nosova, N G

2013-01-01

The mechanisms of the three-dimensional crambin structure alterations in the crystalline environments and in the trajectories of the molecular dynamics simulations in the vacuum and crystal surroundings have been analyzed. In the crystalline state and in the solution the partial regrouping of remote intramolecular packing contacts, involved in the formation and stabilization of the tertiary structure of the crambin molecule, occurs in NMR structures. In the crystalline state it is initiated by the formation of the intermolecular contacts, the conformational influence of its appearance is distributed over the structure. The changes of the conformations and positions of the residues of the loop segments, where the intermolecular contacts of the crystal surroundings are preferably concentrated, are most observable. Under the influence of these contacts the principal change of the regular secondary structure of crambin is taking place: extension of the two-strand beta structure to the three-strand structure with the participation of the single last residue N46 of the C-terminal loop. In comparison with the C-terminal loop the more profound changes are observed in the conformation and the atomic positions of the backbone atoms and in the solvent accessibility of the residues of the interhelical loop. In the solution of the ensemble of the 8 NMR structures relative accessibility to the solvent differs more noticeably also in the region of the loop segments and rather markedly in the interhelical loop. In the crambin cryogenic crystal structures the positions of the atoms of the backbone and/or side chain of 14-18 of 46 residues are discretely disordered. The disorganizations of at least 8 of 14 residues occur directly in the regions of the intermolecular contacts and another 5 residues are disordered indirectly through the intramolecular contacts with the residues of the intermolecular contacts. Upon the molecular dynamics simulation in the vacuum surrounding as in the

Real-time detecting and tracking ball with OpenCV and Kinect

Science.gov (United States)

Osiecki, Tomasz; Jankowski, Stanislaw

2016-09-01

This paper presents a way to detect and track ball with using the OpenCV and Kinect. Object and people recognition, tracking are more and more popular topics nowadays. Described solution makes it possible to detect ball based on the range, which is set by the user and capture information about ball position in three dimensions. It can be store in the computer and use for example to display trajectory of the ball.

Evidence from mixed hydrate nucleation for a funnel model of crystallization

Science.gov (United States)

Hall, Kyle Wm.; Carpendale, Sheelagh; Kusalik, Peter G.

2016-01-01

The molecular-level details of crystallization remain unclear for many systems. Previous work has speculated on the phenomenological similarities between molecular crystallization and protein folding. Here we demonstrate that molecular crystallization can involve funnel-shaped potential energy landscapes through a detailed analysis of mixed gas hydrate nucleation, a prototypical multicomponent crystallization process. Through this, we contribute both: (i) a powerful conceptual framework for exploring and rationalizing molecular crystallization, and (ii) an explanation of phenomenological similarities between protein folding and crystallization. Such funnel-shaped potential energy landscapes may be typical of broad classes of molecular ordering processes, and can provide a new perspective for both studying and understanding these processes. PMID:27790987

Estructura temporal y gestual del kin-ball

Directory of Open Access Journals (Sweden)

Rafael Díaz Amate

2015-06-01

Full Text Available El objetivo de este estudio es analizar la estructura temporal del kin-ball y cuantificar el número de golpeos, jugadas, puntos y los tipos de contacto utilizados, en cada período y partido. Se han analizado un total de 13 partidos, correspondientes a la fase de grupos, semifinales y final del VII Campeonato de España de Kin-ball. Es un deporte caracterizado por la realización de esfuerzos interválicos de intensidad media-alta y de corta duración. Un partido de kin-ball tiene una duración media de 46 min aproximadamente, siendo el ratio tiempo de trabajo y tiempo de descanso de 1:1,51 y la duración media por punto de 12,07 s. Así, un partido de kin-ball tiene un volumen de 73 puntos con un total de 390 golpeos. Los tipos de golpeos utilizados determinan que es un deporte defensivo. Todos estos análisis ayudan a tener un mayor conocimiento de esta disciplina deportiva por parte de los entrenadores y jugadores para tener un entrenamiento más específico.

Carbon fiber structure for B.G.O. crystals of an electromagnetic calorimeter for energies around and above 2 GeV

International Nuclear Information System (INIS)

Anamateros, E.; Germenia, C.; Napoleone, T.

1991-01-01

This document describes a project to construct with composite material an Electromagnetic Calorimeter for a large, solid angle crystal ball for energies around and above 2 GeV, with thin walls (0.36 mm) and a complex figure like a 'Rugby Ball'. The contract was between the National Institute of Nuclear Physics (INFN) of Frascati, Genova, Catania, and Roma, and ITALCOMPOSITI - a joint venture between Agusta Group (50%) and ENI (50%) to research, produce and market advanced prepreg materials and composite structural components for aerospace, defense, energy, and transport applications. The contract concerns the design and the realization of the structure, which consists of 24 baskets containing 480 crystals of B.G.O. weighing about 4 Kg, each with full alveolus, including electronic systems

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach

Science.gov (United States)

Sun, Yang; Song, Huajing; Zhang, Feng; Yang, Lin; Ye, Zhuo; Mendelev, Mikhail I.; Wang, Cai-Zhuang; Ho, Kai-Ming

2018-02-01

The crystal nucleation from liquid in most cases is too rare to be accessed within the limited time scales of the conventional molecular dynamics (MD) simulation. Here, we developed a "persistent embryo" method to facilitate crystal nucleation in MD simulations by preventing small crystal embryos from melting using external spring forces. We applied this method to the pure Ni case for a moderate undercooling where no nucleation can be observed in the conventional MD simulation, and obtained nucleation rate in good agreement with the experimental data. Moreover, the method is applied to simulate an even more sluggish event: the nucleation of the B 2 phase in a strong glass-forming Cu-Zr alloy. The nucleation rate was found to be 8 orders of magnitude smaller than Ni at the same undercooling, which well explains the good glass formability of the alloy. Thus, our work opens a new avenue to study solidification under realistic experimental conditions via atomistic computer simulation.

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach.

Science.gov (United States)

Sun, Yang; Song, Huajing; Zhang, Feng; Yang, Lin; Ye, Zhuo; Mendelev, Mikhail I; Wang, Cai-Zhuang; Ho, Kai-Ming

2018-02-23

The crystal nucleation from liquid in most cases is too rare to be accessed within the limited time scales of the conventional molecular dynamics (MD) simulation. Here, we developed a "persistent embryo" method to facilitate crystal nucleation in MD simulations by preventing small crystal embryos from melting using external spring forces. We applied this method to the pure Ni case for a moderate undercooling where no nucleation can be observed in the conventional MD simulation, and obtained nucleation rate in good agreement with the experimental data. Moreover, the method is applied to simulate an even more sluggish event: the nucleation of the B2 phase in a strong glass-forming Cu-Zr alloy. The nucleation rate was found to be 8 orders of magnitude smaller than Ni at the same undercooling, which well explains the good glass formability of the alloy. Thus, our work opens a new avenue to study solidification under realistic experimental conditions via atomistic computer simulation.

Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

Energy Technology Data Exchange (ETDEWEB)

Wei Gu; Garcia, A.E.; Schoenborn, B.P. [Los Alamos National Laboratory, NM (United States)

1994-12-31

Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies.

Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

International Nuclear Information System (INIS)

Wei Gu; Garcia, A.E.; Schoenborn, B.P.

1994-01-01

Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies

Formation and stabilization of multiple ball-like flames at Earth gravity

KAUST Repository

Zhou, Zhen

2018-03-20

Near-limit low-Lewis-number premixed flame behavior is studied experimentally and numerically for flames of H–CH–air mixtures that are located in a 55 mm diameter tube and below a perforated plate in a downward mixture flow. A combustion regime diagram is experimentally identified in terms of equivalence ratio and ratio of H to CH (variation of fuel Lewis number). Planar flames, cell-like flames, distorted cap-like flames, and arrays of ball-like flames are progressively observed in the experiments as the equivalence ratio is decreased. The experimentally observed ball-like lean limit flames experience chaotic motion, which is accompanied by sporadic events of flame splitting and extinction, while the total number of simultaneously burning flamelets remains approximately the same. In separate experiments, the multiple ball-like lean limit flames are stabilized by creating a slightly non-uniform mixture flow field. The CH* chemiluminescence distributions of the lean limit flames are recorded, showing that the ball-like lean limit flame front becomes more uniform in intensity and its shape approaches a spherical one with the increase of H content in the fuel. Numerical simulations are performed for single representative flames of the array of stabilized flamelets observed in the experiments. The simulated ball-like lean limit flame is further contrasted with the single ball-like flame that forms in a narrow tube (13.5 mm inner diameter) with an iso-thermal wall. The numerical results show that the ball-like lean limit flames present in the array of ball-like flames are more affected by the buoyancy-induced recirculation zone, compared with that in the narrow tube, revealing why the shape of the ball-like flame in the array deviates more from a spherical one. All in all, the wall confinement is not crucial for the formation of ball-like flames at terrestrial gravity.

Study on torsional fretting wear behavior of a ball-on-socket contact configuration simulating an artificial cervical disk

International Nuclear Information System (INIS)

Wang, Song; Wang, Fei; Liao, Zhenhua; Wang, Qingliang; Liu, Yuhong; Liu, Weiqiang

2015-01-01

A ball-on-socket contact configuration was designed to simulate an artificial cervical disk in structure. UHMWPE (ultra high molecular weight polyethylene) hot pressed by powders and Ti6Al4V alloy were selected as the material combination of ball and socket. The socket surface was coated by a ~ 500 nm C-DLC (carbon ion implantation-diamond like carbon) mixed layer to improve its surface nano hardness and wear resistance. The torsional fretting wear behavior of the ball-on-socket model was tested at different angular displacements under 25% bovine serum lubrication with an axial force of 100 N to obtain more realistic results with that in vivo. The fretting running regimes and wear damage characteristics as well as wear mechanisms for both ball and socket were studied based on 2D (two dimension) optical microscope, SEM (scanning electron microscope) and 3D (three dimension) profiles. With the increase of angular displacement amplitude from 1° to 7°, three types of T-θ (Torsional torque-angular displacement amplitude) curves (i.e., linear, elliptical and parallelogram loops) corresponding to running regimes of PSR (partial slip regime), MR (mixed regime) and SR (slip regime) were observed and analyzed. Both the central region and the edge zone of the ball and socket were damaged. The worn surfaces were characterized by wear scratches and wear debris. In addition, more severe wear damage and more wear debris appeared on the central region of the socket at higher angular displacement amplitude. The dominant damage mechanism was a mix of surface scratch, adhesive wear and abrasive wear for the UHMWPE ball while that for the coated socket was abrasive wear by PE particles and some polishing and rolling process on the raised overgrown DLC grains. The frictional kinetic behavior, wear type, damage region and damage mechanism for the ball-on-socket model revealed significant differences with those of a ball-on-flat contact while showing better consistency with that of in

Study on torsional fretting wear behavior of a ball-on-socket contact configuration simulating an artificial cervical disk

Energy Technology Data Exchange (ETDEWEB)

Wang, Song [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China); Wang, Fei [School of Material Science and Engineering, China University of Mining and Technology, Xuzhou 221116 (China); Liao, Zhenhua [Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China); Biomechanics and Biotechnology Lab, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); Wang, Qingliang [School of Material Science and Engineering, China University of Mining and Technology, Xuzhou 221116 (China); Liu, Yuhong [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China); Liu, Weiqiang, E-mail: weiqliu@hotmail.com [Biomechanics and Biotechnology Lab, Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057 (China); State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

2015-10-01

A ball-on-socket contact configuration was designed to simulate an artificial cervical disk in structure. UHMWPE (ultra high molecular weight polyethylene) hot pressed by powders and Ti6Al4V alloy were selected as the material combination of ball and socket. The socket surface was coated by a ~ 500 nm C-DLC (carbon ion implantation-diamond like carbon) mixed layer to improve its surface nano hardness and wear resistance. The torsional fretting wear behavior of the ball-on-socket model was tested at different angular displacements under 25% bovine serum lubrication with an axial force of 100 N to obtain more realistic results with that in vivo. The fretting running regimes and wear damage characteristics as well as wear mechanisms for both ball and socket were studied based on 2D (two dimension) optical microscope, SEM (scanning electron microscope) and 3D (three dimension) profiles. With the increase of angular displacement amplitude from 1° to 7°, three types of T-θ (Torsional torque-angular displacement amplitude) curves (i.e., linear, elliptical and parallelogram loops) corresponding to running regimes of PSR (partial slip regime), MR (mixed regime) and SR (slip regime) were observed and analyzed. Both the central region and the edge zone of the ball and socket were damaged. The worn surfaces were characterized by wear scratches and wear debris. In addition, more severe wear damage and more wear debris appeared on the central region of the socket at higher angular displacement amplitude. The dominant damage mechanism was a mix of surface scratch, adhesive wear and abrasive wear for the UHMWPE ball while that for the coated socket was abrasive wear by PE particles and some polishing and rolling process on the raised overgrown DLC grains. The frictional kinetic behavior, wear type, damage region and damage mechanism for the ball-on-socket model revealed significant differences with those of a ball-on-flat contact while showing better consistency with that of in

Anti-collapse mechanism of CBM fuzzy-ball drilling fluid

Directory of Open Access Journals (Sweden)

Lihui Zheng

2016-03-01

Full Text Available Although fuzzy-ball drilling fluid has been successfully applied in CBM well drilling, it is necessary to study its anti-collapse mechanism so that adjustable coalbed sealing effects, controllable sealing strength, rational sealing cost and controllable reservoir damage degree can be realized. In this paper, laboratory measurement was performed on the uniaxial compressive strength of the plungers of No. 3 coalbed in the Qinshui Basin and the inlet pressure of Ø38 mm coal plunger displacement. The strengths of coal plungers were tested and compared after 2% potassium chloride solution, low-solids polymer drilling fluid and fuzzy-ball drilling fluid were injected into the coal plungers respectively. It is shown that coal strength rises by 38.46% after the fuzzy-ball drilling fluid is injected (in three groups; and that no fuzzy-ball drilling fluid is lost at the displacement pressures of 20.73 and 21.46 MPa, nor 2% potassium chloride solution is leaked at such pressures of 24.79 and 25.64 MPa after the plunger was sealed by the fuzzy-ball drilling fluid. This indicates that the fuzzy-ball drilling fluid can increase the formation resistance to fluid. Indoor microscopic observation was conducted on the sealing process of the fuzzy-ball drilling fluid in sand packs with coal cuttings of three grain sizes (60–80, 80–100 and 100–120 mesh. It is shown that the leakage pathways of different sizes are sealed by the vesicles in the form of accumulation, stretch and blockage. And there are vesicles at the inlet ends of the flowing pathways in the shape of beaded blanket. The impact force of drilling tools on the sidewalls is absorbed by the vesicles due to their elasticity and tenacity, so the sidewall instability caused by drilling tools is relieved. It is concluded that the main anti-collapse mechanisms of the CBM fuzzy-ball drilling fluid are to raise the coal strength, increase the formation resistance to fluid, and buffer the impact of

Long-Term Effects on Graphene Supercapacitors of Using a Zirconia Bowl and Zirconia Balls for Ball-Mill mixing of Active Materials

Science.gov (United States)

Song, Dae-Hoon; Kim, Jin-Young; Kahng, Yung Ho; Cho, Hoonsung; Kim, Eung-Sam

2018-04-01

Improving the energy storage performance of supercapacitor electrodes based on reduced graphene oxide (RGO) is one of the main subjects in this research field. However, when a zirconia bowl and zirconia balls were used for ball-mill mixing of the active materials for RGO supercapacitors, the energy storage performance deteriorated over time. Our study revealed that the source of the problem was the inclusion of zirconia bits from abrasion of the bowl and the balls during the ballmill mixing, which increased during a period of 1 year. We probed two solutions to this problem: 1) hydrofluoric (HF) acid treatment of the RGO supercapacitors and 2) use of a tempered steel bowl and tempered steel balls for the mixing. For both cases, the energy storage performance was restored to near the initial level, showing a specific capacitance ( C sp ) of 200 F/g. Our results should lead to progress in research on RGO supercapacitors.

Physical and Tribological Properties of Nitrided AISI 316 Stainless Steel Balls

Directory of Open Access Journals (Sweden)

Yang Shicai

2016-01-01

Full Text Available AISI 316 austenitic stainless steel balls (diameters 5.0 and 12.0 mm, typical hardness 250 HV0.3 and flat samples (20×20×2.0 mm were nitrided by a pulsed glow discharge Ar/N2 plasma. Hardness of the ball surfaces was analysed using Vickers indentation. Thermal stability of the nitrided balls (diameter 12.0 mm was studied using a furnace to heat them in air for 8 hours at temperatures up to 700.0°C and then, after cooling to room temperature, the surface hardness of the heated balls was re-measured. Scanning electron microscopy and X-ray diffraction were used to study the microstructures, composition and phase formation of the nitrided sublayers. Unlubricated pin-on-disc wear testing was used to evaluate the wear resistance of nitrided stainless steel balls (5.0 mm diameter and the results were compared with similar testing on hardened Cr-Steel balls (5 mm diameter with hardness of about 650 HV0.3. All the test results indicated that the nitrided AISI 316 austenitic stainless steel balls have advantages over the hardened Cr-Steel balls in terms of retaining high hardness after heat treatment and high resistance to sliding wear at room temperature under higher counterpart stress. These properties are expected to be beneficial for wide range of bearing applications.

Monte Carlo Optimization of Crystal Configuration for Pixelated Molecular SPECT Scanners

Energy Technology Data Exchange (ETDEWEB)

Mahani, Hojjat [Radiation Application Research School, Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Research Center for Molecular and Cellular Imaging, Tehran University of Medical Science, Tehran (Iran, Islamic Republic of); Raisali, Gholamreza [Radiation Application Research School, Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Kamali-Asl, Alireza [Radiation Medicine Department, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Ay, Mohammad Reza, E-mail: mohammadreza_ay@sina.tums.ac.ir [Research Center for Molecular and Cellular Imaging, Tehran University of Medical Science, Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Science, Tehran (Iran, Islamic Republic of)

2017-02-01

Resolution-sensitivity-PDA tradeoff is the most challenging problem in design and optimization of pixelated preclinical SPECT scanners. In this work, we addressed such a challenge from a crystal point-of-view by looking for an optimal pixelated scintillator using GATE Monte Carlo simulation. Various crystal configurations have been investigated and the influence of different pixel sizes, pixel gaps, and three scintillators on tomographic resolution, sensitivity, and PDA of the camera were evaluated. The crystal configuration was then optimized using two objective functions: the weighted-sum and the figure-of-merit methods. The CsI(Na) reveals the highest sensitivity of the order of 43.47 cps/MBq in comparison to the NaI(Tl) and the YAP(Ce), for a 1.5×1.5 mm{sup 2} pixel size and 0.1 mm gap. The results show that the spatial resolution, in terms of FWHM, improves from 3.38 to 2.21 mm while the sensitivity simultaneously deteriorates from 42.39 cps/MBq to 27.81 cps/MBq when pixel size varies from 2×2 mm{sup 2} to 0.5×0.5 mm{sup 2} for a 0.2 mm gap, respectively. The PDA worsens from 0.91 to 0.42 when pixel size decreases from 0.5×0.5 mm{sup 2} to 1×1 mm{sup 2} for a 0.2 mm gap at 15° incident-angle. The two objective functions agree that the 1.5×1.5 mm{sup 2} pixel size and 0.1 mm Epoxy gap CsI(Na) configuration provides the best compromise for small-animal imaging, using the HiReSPECT scanner. Our study highlights that crystal configuration can significantly affect the performance of the camera, and thereby Monte Carlo optimization of pixelated detectors is mandatory in order to achieve an optimal quality tomogram. - Highlights: • We optimized pixelated crystal configuration for the purpose of molecular SPECT imaging. • The weighted-sum and the figure-of-merit methods were used in order to search for an optimal crystal configuration. • The higher the pixel size, the poorer the resolution and simultaneously the higher the sensitivity and the PDA. • The

Monte Carlo Optimization of Crystal Configuration for Pixelated Molecular SPECT Scanners

International Nuclear Information System (INIS)

Mahani, Hojjat; Raisali, Gholamreza; Kamali-Asl, Alireza; Ay, Mohammad Reza

2017-01-01

Resolution-sensitivity-PDA tradeoff is the most challenging problem in design and optimization of pixelated preclinical SPECT scanners. In this work, we addressed such a challenge from a crystal point-of-view by looking for an optimal pixelated scintillator using GATE Monte Carlo simulation. Various crystal configurations have been investigated and the influence of different pixel sizes, pixel gaps, and three scintillators on tomographic resolution, sensitivity, and PDA of the camera were evaluated. The crystal configuration was then optimized using two objective functions: the weighted-sum and the figure-of-merit methods. The CsI(Na) reveals the highest sensitivity of the order of 43.47 cps/MBq in comparison to the NaI(Tl) and the YAP(Ce), for a 1.5×1.5 mm"2 pixel size and 0.1 mm gap. The results show that the spatial resolution, in terms of FWHM, improves from 3.38 to 2.21 mm while the sensitivity simultaneously deteriorates from 42.39 cps/MBq to 27.81 cps/MBq when pixel size varies from 2×2 mm"2 to 0.5×0.5 mm"2 for a 0.2 mm gap, respectively. The PDA worsens from 0.91 to 0.42 when pixel size decreases from 0.5×0.5 mm"2 to 1×1 mm"2 for a 0.2 mm gap at 15° incident-angle. The two objective functions agree that the 1.5×1.5 mm"2 pixel size and 0.1 mm Epoxy gap CsI(Na) configuration provides the best compromise for small-animal imaging, using the HiReSPECT scanner. Our study highlights that crystal configuration can significantly affect the performance of the camera, and thereby Monte Carlo optimization of pixelated detectors is mandatory in order to achieve an optimal quality tomogram. - Highlights: • We optimized pixelated crystal configuration for the purpose of molecular SPECT imaging. • The weighted-sum and the figure-of-merit methods were used in order to search for an optimal crystal configuration. • The higher the pixel size, the poorer the resolution and simultaneously the higher the sensitivity and the PDA. • The higher the pixel gap, the

Wear numbers for ball cup and journal bearings

NARCIS (Netherlands)

Ligterink, D.J.; Moes, H.

1980-01-01

A wear number is defined for ball cup bearings and for journal bearings where the cup and the cylindrical bearing are made of soft material. This dimensionless wear number provides a relation between the following five quantities: the radius of the ball or the length of the journal bearing in

Two balls and a string: from ordered motion to chaos

International Nuclear Information System (INIS)

Sacks, William; Mauger, Alain

2013-01-01

Two spherical balls are connected by a taught string passing through a small hole in a perfectly planar table: the first ball, subject to a central force, moves without friction on a two-dimensional plane, while the second ball moves only along the vertical axis directly below the hole. The pedagogical aspects of this novel two-body problem are given particular attention: Newton’s laws, central force motion, conservation laws, angular momentum, constraints, etc. The dynamics of the system is considered under various initial conditions wherein the ball on the table moves qualitatively in rotating ellipses or hypotrochoids. The conditions for closed or periodic orbits are examined. The more complex case of the inclined plane is then considered, revealing a rich variety of periodic, aperiodic and chaotic solutions as a function of the ball mass ratio and the plane inclination angle. The associated Poincaré phase-space maps are discussed. (paper)

Behavior of hollow balls containing granules bouncing repeatedly off the ground

Science.gov (United States)

Hu, Min; Mu, Qing-song; Luo, Ning; Li, Gang; Peng, Ning-bo

2013-07-01

An experimental study of the behavior of hollow balls filled with some granules (mung beans or millets) bouncing repeatedly off a static flat horizontal surface is presented. We observed that the bounce number of the ball is limited and decreases regularly with an increasing number of granules. Moreover, for two balls containing a different kind of granules, their bounce numbers are basically equal when the two balls have the same mass of granules. While there is no clear relationship between the first rebound height of one ball and the number of granules, there appears an exponential decay of the second rebound height with an increase of the granule number. Furthermore, a two-dimensional numerical model has been created to find out the law of the ball's rebound height and the dissipation law of the granule nested system. A generalized prediction equation to reasonably explain the law of the bounce number has also been proposed.

Dry grinding of talc in a stirred ball mill

Directory of Open Access Journals (Sweden)

Cayirli Serkan

2016-01-01

Full Text Available The aim of this work was to investigate micro fine size dry grindability of talc in a stirred ball mill. The effects of various parameters such as grinding time, stirrer speed, powder filling ratio and ball filling ratio were investigated. Alumina balls were used as grinding media. Experiments were carried out using the 24 full factorial design. The main and interaction effects were evaluated using the Yates method. Test results were evaluated on the basis of product size and surface area.

Synthesis, crystal structure, electrical properties, and sodium transport pathways of the new arsenate Na{sub 4}Co{sub 7}(AsO{sub 4}){sub 6}

Energy Technology Data Exchange (ETDEWEB)

Ben Smida, Youssef; Marzouki, Riadh [Université de Tunis El Manar, Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Campus Universitaire, 2092 Manar II, Tunis (Tunisia); Georges, Samuel [Université Grenoble Alpes, Laboratoire d’Electrochimie et de Physicochimie des Matériaux et des Interfaces LEPMI, F-38000 Grenoble (France); Kutteh, Ramzi [Bragg Institute, Australian Nuclear Science and Technology Organisation (ANSTO), New Illawarra Road, Lucas Heights, New South Wales 2234 (Australia); Avdeev, Maxim [Bragg Institute, Australian Nuclear Science and Technology Organisation (ANSTO), New Illawarra Road, Lucas Heights, New South Wales 2234 (Australia); School of Chemistry, University of Sydney, Sydney, New South Wales 2006 (Australia); Guesmi, Abderrahmen; Zid, Mohamed Faouzi [Université de Tunis El Manar, Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Campus Universitaire, 2092 Manar II, Tunis (Tunisia)

2016-07-15

A new sodium cobalt (II) arsenate Na{sub 4}Co{sub 7}(AsO{sub 4}){sub 6} has been synthesized by a solid-state reaction and its crystal structure determined from single crystal X-ray diffraction data. It crystallizes in the monoclinic system, space group C2/m, with a=10.7098(9) Å, b=14.7837(9) Å, c=6.6845(7) Å, and β=105.545(9)°. The structure is described as a three-dimensional framework built up of corner-edge sharing CoO{sub 6}, CoO{sub 4} and AsO{sub 4} polyhedra, with interconnecting channels along [100] in which the Na{sup +} cations are located. The densest ceramics with relative density of 94% was obtained by ball milling and optimization of sintering temperature, and its microstructure characterized by scanning electron microscopy. The electrical properties of the ceramics were studied over a temperature interval from 280 °C to 560 °C using the complex impedance spectroscopy over the range of 13 MHz–5 Hz. The ionic bulk conductivity value of the sample at 360 °C is 2.51 10{sup −5} S cm{sup −1} and the measured activation energy is Ea=1 eV. The sodium migration pathways in the crystal structure were investigated computationally using the bond valence site energy (BVSE) model and classical molecular dynamics (MD) simulations. - Graphical abstract: Correlation between crystal structure, microstructure and ionic conductivity . Display Omitted - Highlights: • A new arsenate Na{sub 4}Co{sub 7}(AsO{sub 4}){sub 6} was prepared by solid state reaction. • Its crystal structure was determined by powder X-ray diffraction. • Na{sup +} ionic conductivity was probed by complex impedance spectroscopy. • Na{sup +} conduction pathways were modeled by bond-valence method and molecular dynamics.

Crucial role of molecular planarity on the second order nonlinear optical property of pyridine based chalcone single crystals

Science.gov (United States)

Menezes, Anthoni Praveen; Jayarama, A.; Ng, Seik Weng

2015-05-01

An efficient nonlinear optical material 2E-3-(4-bromophenyl)-1-(pyridin-3-yl) prop-2-en-1-one (BPP) was synthesized and single crystals were grown using slow evaporation solution growth technique at room temperature. Grown crystal had prismatic morphology and its structure was confirmed by various spectroscopic studies, elemental analysis, and single crystal X-ray diffraction (XRD) technique. The single crystal XRD of the crystal showed that BPP crystallizes in monoclinic system with noncentrosymmetric space group P21 and the cell parameters are a = 5.6428(7) Å, b = 3.8637(6) Å, c = 26.411(2) Å, β = 97.568(11) deg and v = 575.82(12) Å3. The UV-Visible spectrum reveals that the crystal is optically transparent and has high optical energy band gap of 3.1 eV. The powder second harmonic generation efficiency (SHG) of BPP is 6.8 times that of KDP. From thermal analysis it is found that the crystal melts at 139 °C and decomposes at 264 °C. High optical transparency down to blue region, higher powder SHG efficiency and better thermal stability than that of urea makes this chalcone derivative a promising candidate for SHG applications. Furthermore, effect of molecular planarity on SHG efficiency and role of pyridine ring adjacent to carbonyl group in forming noncentrosymmetric crystal systems of chalcone family is also discussed.

Advances in nonlinear polymers and inorganic crystals, liquid crystals, and laser media

International Nuclear Information System (INIS)

Musikant, S.

1987-01-01

These proceedings collect papers on laser materials. Topics include: solid state lasers, fracture mechanics in laser materials, optical second harmonic generation, nonlinear optics, molecular crystals, crystal-phase transformation, and materials for laser fusion reactors

Determination of the boundary conditions of the grinding load in ball mills

Science.gov (United States)

Sharapov, Rashid R.

2018-02-01

The prospects of application in ball mills for grinding cement clinker with inclined partitions are shown. It is noted that ball mills with inclined partitions are more effective. An algorithm is proposed for calculating the power consumed by a ball mill with inclined inter-chamber partitions in which an axial movement of the ball load takes place. The boundary conditions in which the ball load is located are determined. The equations of bounding the grinding load are determined. The behavior of a grinding load is considered in view of the characteristic cross sections. The coordinates of the centers of gravity of the grinding load with a definite step and the shape of the cross sections are determined. It is theoretically shown that grinding load in some parts of the ball mill not only consumes, but also helps to rotate the ball mill. Methods for calculating complex analytical expressions for determining the coordinates of the centers of gravity of the grinding load under the conditions of its longitudinal motion have developed. The carried out researches allow to approach from the general positions to research of behavior of a grinding load in the ball mills equipped with various in-mill devices.

Temperature-mediated polymorphism in molecular crystals: The impact on crystal packing and charge transport

KAUST Repository

Stevens, Loah A.; Goetz, Katelyn P.; Fonari, Alexandr; Shu, Ying; Williamson, Rachel M.; Bredas, Jean-Luc; Coropceanu, Veaceslav P.; Jurchescu, Oana D.; Collis, Gavin E.

2015-01-01

We report a novel synthesis to ultra high purity 7,14-bis((trimethylsilyl)ethynyl)dibenzo[b,def]-chrysene (TMS-DBC) and the use of this material in the growth of single crystals by solution and vapor deposition techniques. We observe that the substrate temperature has a dramatic impact on the crystal growth, producing two distinct polymorphs of TMS-DBC; low temperature (LT) fine red needles and high temperature (HT) large yellow platelets. Single crystal X-ray crystallography confirms packing structures where the LT crystals form a 1D slipped-stack structure, while the HT crystals adopt a 2D brickwork motif. These polymorphs also represent a rare example where both are extremely stable and do not interconvert to the other crystal structure upon solvent or thermal annealing. Single crystal organic field-effect transistors of the LT and HT crystals show that the HT 2D brickwork motif produces hole mobilities as high as 2.1 cm2 V-1 s-1, while the mobility of the 1D structure is significantly lower, at 0.028 cm2 V-1 s-1. Electronic-structure calculations indicate that the superior charge transport in the brickwork polymorph in comparison to the slipped-stack polymorph is due to the presence of an increased dimensionality of the charge migration pathways.

Temperature-mediated polymorphism in molecular crystals: The impact on crystal packing and charge transport

KAUST Repository

Stevens, Loah A.

2015-01-13

We report a novel synthesis to ultra high purity 7,14-bis((trimethylsilyl)ethynyl)dibenzo[b,def]-chrysene (TMS-DBC) and the use of this material in the growth of single crystals by solution and vapor deposition techniques. We observe that the substrate temperature has a dramatic impact on the crystal growth, producing two distinct polymorphs of TMS-DBC; low temperature (LT) fine red needles and high temperature (HT) large yellow platelets. Single crystal X-ray crystallography confirms packing structures where the LT crystals form a 1D slipped-stack structure, while the HT crystals adopt a 2D brickwork motif. These polymorphs also represent a rare example where both are extremely stable and do not interconvert to the other crystal structure upon solvent or thermal annealing. Single crystal organic field-effect transistors of the LT and HT crystals show that the HT 2D brickwork motif produces hole mobilities as high as 2.1 cm2 V-1 s-1, while the mobility of the 1D structure is significantly lower, at 0.028 cm2 V-1 s-1. Electronic-structure calculations indicate that the superior charge transport in the brickwork polymorph in comparison to the slipped-stack polymorph is due to the presence of an increased dimensionality of the charge migration pathways.

Historiografia del “Ball de Torrent”: De la moixiganga barroca al quadre de balls populars valencians (1692-1929

Directory of Open Access Journals (Sweden)

Raül Sanchis Francés

2013-06-01

Full Text Available Resum: El Ball de Torrent és una moixiganga dramàtica popular escenificada a la ciutat de València i altres indrets del País Valencià des de finals del segle XVII fins a principis del segle XX. Estava organitzada per agrupacions gremials, juntes d’hospitals o clavaris de festes i protagonitzada per personatges agrupats en comparses que representaven una paròdia sobre les relacions entre les estructures de poder i les classes populars. Tot i la variabilitat segons el moment històric, es conforma com una mescla de quadres amb danses, música i jocs teatrals. El ball interacciona de diverses formes amb algunes festes valencianes i és, probablement, una de les mostres de teatre de carrer més nostrades i menys estudiades de la València Moderna. En aquest article es realitza una revisió bibliogràfica crítica i una primera anàlisi historiogràfica.Paraules clau: Ball de Torrent, Dansa i música tradicional, Teatre, Moixiganga, Festa valencianaAbstract: Ball de Torrent (Dance of Torrent is a popular dramatic masquerade staged in Valencia since the late seventeenth century to the early twentieth. It was organized by guilds, hospital managements or festival organizers. The actors were grouped in associations representing a parody on the relationships between power structures and popular classes. Despite the variability depending on the historical period, it consisted of a mixture of episodes or scenes with dance, music and theatre games. Any Festivals in Valencia are connected with the Ball de Torrent. It’s probably one of the most interesting samples of street theatre and studied under of the Modern Valencia. This paper analyses historical sources to review and critique bibliography.Keywords: Dance of Torrent, Traditional Dance and Music, Theatre, Masquerade, Feasts of Valencia

Thermal Analysis of Ball screw Systems by Explicit Finite Difference Method

Energy Technology Data Exchange (ETDEWEB)

Min, Bog Ki [Hanyang Univ., Seoul (Korea, Republic of); Park, Chun Hong; Chung, Sung Chong [KIMM, Daejeon (Korea, Republic of)

2016-01-15

Friction generated from balls and grooves incurs temperature rise in the ball screw system. Thermal deformation due to the heat degrades positioning accuracy of the feed drive system. To compensate for the thermal error, accurate prediction of the temperature distribution is required first. In this paper, to predict the temperature distribution according to the rotational speed, solid and hollow cylinders are applied for analysis of the ball screw shaft and nut, respectively. Boundary conditions such as the convective heat transfer coefficient, friction torque, and thermal contact conductance (TCC) between balls and grooves are formulated according to operating and fabrication conditions of the ball screw. Explicit FDM (finite difference method) is studied for development of a temperature prediction simulator. Its effectiveness is verified through numerical analysis.

The goalkeeper influence on ball possession effectiveness in futsal

Directory of Open Access Journals (Sweden)

Vicente-Vila Pedro

2016-06-01

Full Text Available The aim of this study was to identify which variables were the best predictors of success in futsal ball possession when controlling for space and task related indicators, situational variables and the participation of the goalkeeper as a regular field player or not (5 vs. 4 or 4 vs. 4. The sample consisted of 326 situations of ball possession corresponding to 31 matches played by a team from the Spanish Futsal League during the 2010–2011, 2011–2012 and 2012–2013 seasons. Multidimensional qualitative data obtained from 10 ordered categorical variables were used. Data were analysed using chi-square analysis and multiple logistic regression analysis. Overall, the highest ball possession effectiveness was achieved when the goalkeeper participated as a regular field player (p<0.01, the duration of the ball possession was less than 10 s (p<0.01, the ball possession ended in the penalty area (p<0.01 and the defensive pressure was low (p<0.01. The information obtained on the relative effectiveness of offensive playing tactics can be used to improve team’s goal-scoring and goal preventing abilities.

An investigation of the generation and properties of laboratory-produced ball lightning

Science.gov (United States)

Oreshko, A. G.

2015-06-01

The experiments revealed that ball lightning is a self-confining quasi-neutral in a whole plasma system that rotates around its axis. Ball lightning has a structure of a spherical electric domain, consisting of a kernel with excess negative charge and an external spherical layer with excess positive charge. The excess of charges of one sort and the lack of charges of the other sort in the kernel or in the external spherical layer significantly reduces the possibility of electron capture by means of an electric field, created by the nearest ions and leads to a drastic slowdown of recombination process. Direct proof has been obtained that inside of ball lightning - in an external spherical layer that rotates around the axis - there is a circular current of sub-relativistic particles. This current creates and maintains its own poloidal magnetic field of ball lightning, i.e. it carries out the function of magnetic dynamo. The kernel of ball lightning is situated in a region with minimum values of induction of the magnetic field. The inequality of positive and negative charges in elements of ball lightning also significantly reduces losses of the charged plasma on bremsstrahlung. Ball lightning generation occurs in a plasmic vortex. The ball lightning energy in the region of its generation significantly differs from the ball lightning energy, which is drifting in space. The axial component of kinetic energy of particles slightly exceeds 100 keV and the rotational component of the ions energy is a bit greater than 1 MeV. Ball lightning is `embedded' in atmosphere autonomous accelerator of charged particles of a cyclotron type due to self-generation of strong crossed electric and magnetic fields. A discussion of the conditions of stability and long-term existence of ball lightning is given.

Synthesis and Self-Assembly of the "Tennis Ball" Dimer and Subsequent Encapsulation of Methane. An Advanced Organic Chemistry Laboratory Experiment

Science.gov (United States)

Hof, Fraser; Palmer, Liam C.; Rebek, Julius, Jr.

2001-11-01

While important to the biological and materials sciences, noncovalent interactions, self-folding, and self-assembly often receive little discussion in the undergraduate chemistry curriculum. The synthesis and NMR characterization of a molecular "tennis ball" in an advanced undergraduate organic chemistry laboratory is a simple and effective way to introduce the relevance of these concepts. In appropriate solvents, the monomer dimerizes through a seam of eight hydrogen bonds with encapsulation of a guest molecule and symmetry reminiscent of a tennis ball. The entire experiment can be completed in three lab periods, however large-scale synthetic preparation of the starting monomer by a teaching assistant would reduce the laboratory to a single lab period for NMR studies.

An aerodynamic analysis of recent FIFA world cup balls

Science.gov (United States)

Kiratidis, Adrian L.; Leinweber, Derek B.

2018-05-01

Drag and lift coefficients of recent FIFA world cup balls are examined. We fit a novel functional form to drag coefficient curves and in the absence of empirical data provide estimates of lift coefficient behaviour via a consideration of the physics of the boundary layer. Differences in both these coefficients for recent balls, which result from surface texture modification, can significantly alter trajectories. Numerical simulations are used to quantify the effect these changes have on the flight paths of various balls. Altitude and temperature variations at recent world cup events are also discussed. We conclude by quantifying the influence these variations have on the three most recent world cup balls, the Brazuca, the Jabulani and the Teamgeist. While our paper presents findings of interest to the professional sports scientist, it remains accessible to students at the undergraduate level.

Electrostatic charge bounds for ball lightning models

International Nuclear Information System (INIS)

Stephan, Karl D

2008-01-01

Several current theories concerning the nature of ball lightning predict a substantial electrostatic charge in order to account for its observed motion and shape (Turner 1998 Phys. Rep. 293 1; Abrahamson and Dinniss 2000 Nature 403 519). Using charged soap bubbles as a physical model for ball lightning, we show that the magnitude of charge predicted by some of these theories is too high to allow for the types of motion commonly observed in natural ball lightning, which includes horizontal motion above the ground and movement near grounded conductors. Experiments show that at charge levels of only 10-15 nC, 3-cm-diameter soap bubbles tend to be attracted by induced charges to the nearest grounded conductor and rupture. We conclude with a scaling rule that can be used to extrapolate these results to larger objects and surroundings

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

International Nuclear Information System (INIS)

Zoest, J.M. van.

1986-01-01

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

Numerical study of Q-ball formation in gravity mediation

International Nuclear Information System (INIS)

Hiramatsu, Takashi; Kawasaki, Masahiro; Takahashi, Fuminobu

2010-01-01

We study Q-ball formation in the expanding universe on 1D, 2D and 3D lattice simulations. We obtain detailed Q-ball charge distributions, and find that the distribution is peaked at Q 3D peak ≅ 1.9 × 10 −2 (|Φ in |/m) 2 , which is greater than the existing result by about 60%. Based on the numerical simulations, we discuss how the Q-ball formation proceeds. Also we make a comment on possible deviation of the charge distributions from what was conjectured in the past

Measurements of the Motion of Plasma Filaments in a Plasma Ball

International Nuclear Information System (INIS)

Campanell, M.; Laird, J.; Provost, T.; Vasquez, S.; Zweben, S.J.

2010-01-01

Measurements were made of the motion of the filamentary structures in a plasma ball using high speed cameras and other optical detectors. These filaments traverse the ball radially at ∼106 cm/sec at the driving frequency of ∼26 kHz, and drift upward through the ball at ∼1 cm/sec. Varying the applied high voltage and frequency caused the number, length, and diameter of the filaments to change. A custom plasma ball was constructed to observe the effects of varying gas pressure and species on the filament structures.

Measurements of the Motion of Plasma Filaments in a Plasma Ball

Energy Technology Data Exchange (ETDEWEB)

Campanell, M.; Laird, J.; Provost, T.; Vasquez, S.; Zweben, S. J.

2010-01-26

Measurements were made of the motion of the filamentary structures in a plasma ball using high speed cameras and other optical detectors. These filaments traverse the ball radially at ~106 cm/sec at the driving frequency of ~26 kHz, and drift upward through the ball at ~1 cm/sec. Varying the applied high voltage and frequency caused the number, length, and diameter of the filaments to change. A custom plasma ball was constructed to observe the effects of varying gas pressure and species on the filament structures.

Supermassive dark-matter Q-balls in galactic centers?

Energy Technology Data Exchange (ETDEWEB)

Troitsky, Sergey [Institute for Nuclear Research of the Russian Academy of Sciences,60th October Anniversary Prospect 7a, Moscow 117312 (Russian Federation); Moscow Institute for Physics and Technology,Institutskii per. 9, 141700, Dolgoprudny, Moscow Region (Russian Federation)

2016-11-11

Though widely accepted, it is not proven that supermassive compact objects (SMCOs) residing in galactic centers are black holes. In particular, the Milky Way’s SMCO can be a giant nontopological soliton, Q-ball, made of a scalar field: this fits perfectly all observational data. Similar but tiny Q-balls produced in the early Universe may constitute, partly or fully, the dark matter. This picture explains in a natural way, why our SMCO has very low accretion rate and why the observed angular size of the corresponding radio source is much smaller than expected. Interactions between dark-matter Q-balls may explain how SMCOs were seeded in galaxies and resolve well-known problems of standard (non-interacting) dark matter.

Polycyclic aromatic hydrocarbons (PAHs) and hopanes in stranded tar-balls on the coasts of peninsular Malaysia: applications of biomarkers for identifying sources of oil pollution

International Nuclear Information System (INIS)

Zakaria, Mohamad Pauzi; Okuba, Tomoaki; Takada, Hideshige

2001-01-01

Malaysian coasts are subjected to various threats of petroleum pollution including routine and accidental oil spill from tankers, spillage of crude oils from inland and offshore oil fields, and run-off from land-based human activities. Due to its strategic location, the Straits of Malacca serves as a major shipping lane. This paper expands the utility of biomarker compounds, hopanes, in identifying the source of tar-balls stranded on Malaysian coasts. 20 tar-ball samples collected from the east and west coast were analysed for hopanes and polycylic aromatic hydrocarbons (PAHs). Four of the 13 tar-ball samples collected from the west coast of Peninsular Malaysia were identified as the Middle East crude oil (MECO) based on their biomarker signatures, suggesting tanker-derived sources significantly contributing the petroleum pollution in the Straits of Malacca. The tar-balls found on the east cost seem to originate from the offshore oil platforms in the South China Sea. The presence of South East Asian crude oil (SEACO) tar-balls on the west coast carry several plausible explanations. Some of the tar-balls could have been transported via sea currents from the east coast. The tankers carrying SEACO to other countries could have accidentally spilt the oil as well. Furthermore, discharge of tank washings and ballast water from the tankers were suggested based on the abundance in higher molecular weight n-alkanes and the absence of unresolved complex mixture (UCM) in the tar-ball samples. The other possibilities are that the tar-balls may have originated from the Sumatran oil fields and spillage of domestic oil from oil refineries in Port Dickson and Malacca. The results of PAHs analysis suggest that all the tar-ball samples have undergone various extent of weathering through evaporation, dissolution and photo-oxidation. (Author)

Polycyclic aromatic hydrocarbon (PAHs) and hopanes in stranded tar-balls on the coasts of Peninsular Malaysia: applications of biomarkers for identifying sources of oil pollution.

Science.gov (United States)

Zakaria, M P; Okuda, T; Takada, H

2001-12-01

Malaysian coasts are subjected to various threats of petroleum pollution including routine and accidental oil spill from tankers, spillage of crude oils from inland and off-shore oil fields, and run-off from land-based human activities. Due to its strategic location, the Straits of Malacca serves as a major shipping lane. This paper expands the utility of biomarker compounds, hopanes, in identifying the source of tar-balls stranded on Malaysian coasts. 20 tar-ball samples collected from the east and west coast were analyzed for hopanes and polycyclic aromatic hydrocarbons (PAHs). Four of the 13 tar-ball samples collected from the west coast of Peninsular Malaysia were identified as the Middle East crude oil (MECO) based on their biomarker signatures, suggesting tanker-derived sources significantly contributing the petroleum pollution in the Straits of Malacca. The tar-balls found on the east coast seem to originate from the offshore oil platforms in the South China Sea. The presence of South East Asian crude oil (SEACO) tar-balls on the west coast carry several plausible explanations. Some of the tar-balls could have been transported via sea currents from the east coast. The tankers carrying SEACO to other countries could have accidentally spilt the oil as well. Furthermore, discharge of tank washings and ballast water from the tankers were suggested based on the abundance in higher molecular weight n-alkanes and the absence of unresolved complex mixture (UCM) in the tar-ball samples. The other possibilities are that the tar-balls may have been originated from the Sumatran oil fields and spillage of domestic oil from oil refineries in Port Dickson and Malacca. The results of PAHs analysis suggest that all the tar-ball samples have undergone various extent of weathering through evaporation, dissolution and photooxidation.

Synthesis and properties of large crystal of aluminum-deficient ultrasil molecular sieve materials

International Nuclear Information System (INIS)

Durrani, J.; Akhtar, J.; Chughtai, N.A.; Arif, M.; Saeed, K.; Ahmed, M.; Siddique, M.

2003-01-01

Large crystals of aluminum-deficient and silica rich molecular sieve materials such as Silicalite-I, Silicalite-II ZSM11-B and ZSM11-Fe have been synthesized hydro thermally from the aqueous silicate gel of (R/sub 2/O -SiO/sub 2/- B/sub 2/O/sub 3/ -Fe/sub 2/O/ sub 3/ -H/sub 2/O) using PTFE-lined stainless digestion bomb. The term R is a alkyl group. The synthesized materials were identified for crystallinity, thermal stability, phase, crystal structure, morphology and unit cell dimensions using thermogravimetry (TG/DTA), differential scanning calorimetric(DSC), X-ray diffraction (XRD), scanning electron microscopy (SEM) and other analytical techniques. All product materials were found to be white crystalline and crysto-graphically pure. Surface area and particle size distribution of materials were also ascertained. /sup 57/Fe Mossbauer spectroscopic studies on as-synthesized and calcined samples have confirmed the uniform dispersion of Fe/sup 3+/ ions in the tetrahedral framework of ZSM11-Fe material. (author)

Structure Design and Performance Analysis of High-Speed Miniature Ball Bearing

Science.gov (United States)

Li, Songsheng; Zhang, Guoye; Chen, Bin; Shen, Yuan

2017-07-01

The working performances of miniature ball bearings are obviously affected by its’ geometric structure parameters. In this paper, quasi-static analysis theory is applied in the design of miniature ball bearings. Firstly, it is studied the influence of geometry structure, preload and rotating speed on the dynamic performance of bearing. Secondly, bearing dynamic characteristics are analyzed which include the bearing stiffness and Spin to roll Ratio. Lastly, the contact stress and bearing life are calculated. The results indicate that structure parameters play an importance role in bearing’s dynamic performances. Miniature ball bearings which have lager ball number, bigger ball diameter and smaller inner race groove radius can get better performances while velocity and preload have great impact on the bearing life. So that parameters of miniature bearing should be chosen cautiously.

Unsolved problems of crystallization and melting of flexible macromolecules

International Nuclear Information System (INIS)

Wunderlich, B.

1992-01-01

The thermodynamics, kinetics, and computer simulations of crystallization and melting is discussed. The thermodynamics is shown to be well understood, although for many specific crystals not enough details for full description are available. Experiments on the crystallization kinetics of poly(ethylene) and poly(oxyethylene) in the presence of crystal nuclei as a function of molecular mass revealed that with increasing mass, the crystallization behavior deviates increasingly from that of small, rigid molecules. Instead of showing a continuously changing, linear crystallization rate with temperature through the equilibrium melting temperature, T m 0 , these flexible macromolecules show a region of practically zero crystallization rate between T m 0 and about (T m 0 - 15) K, creating a temperature region of metastability in the melt that cannot be broken by nucleation with pregrown crystals. Molecular Nucleation was proposed as a cooperative process to be of overriding importance for the description of polymer crystallization, and to be at the center of segregation of molecules of lower molecular mass by growing crystal fronts. Initial efforts to model sufficiently large crystals using Monte Carlo and molecular dynamics methods are presented. Some of the short-time intermediates in the melting, crystallization, and annealing processes seem to have little similarity to commonly assumed models of crystallization and melting and are presented as discussion topics

Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of chlorite dismutase: a detoxifying enzyme producing molecular oxygen

Energy Technology Data Exchange (ETDEWEB)

Geus, Daniël C. de, E-mail: d.de.geus@chem.leidenuniv.nl; Thomassen, Ellen A. J.; Feltz, Clarisse L. van der; Abrahams, Jan Pieter [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands)

2008-08-01

Preliminary X-ray data collection and analysis for crystals of chlorite dismutase, a haem-based enzyme that very effectively reduces chlorite to chloride while producing molecular oxygen, is reported to 2.1 Å resolution. Chlorite dismutase, a homotetrameric haem-based protein, is one of the key enzymes of (per)chlorate-reducing bacteria. It is highly active (< 2 kU mg{sup −1}) in reducing the toxic compound chlorite to the innocuous chloride anion and molecular oxygen. Chlorite itself is produced as the intermediate product of (per)chlorate reduction. The chlorite dismutase gene in Azospira oryzae strain GR-1 employing degenerate primers has been identified and the active enzyme was subsequently overexpressed in Escherichia coli. Chlorite dismutase was purified, proven to be active and crystallized using sitting drops with PEG 2000 MME, KSCN and ammonium sulfate as precipitants. The crystals belonged to space group P2{sub 1}2{sub 1}2 and were most likely to contain six subunits in the asymmetric unit. The refined unit-cell parameters were a = 164.46, b = 169.34, c = 60.79 Å. The crystals diffracted X-rays to 2.1 Å resolution on a synchrotron-radiation source and a three-wavelength MAD data set has been collected. Determination of the chlorite dismutase structure will provide insights into the active site of the enzyme, for which no structures are currently available.

Neural extrapolation of motion for a ball rolling down an inclined plane.

Science.gov (United States)

La Scaleia, Barbara; Lacquaniti, Francesco; Zago, Myrka

2014-01-01

It is known that humans tend to misjudge the kinematics of a target rolling down an inclined plane. Because visuomotor responses are often more accurate and less prone to perceptual illusions than cognitive judgments, we asked the question of how rolling motion is extrapolated for manual interception or drawing tasks. In three experiments a ball rolled down an incline with kinematics that differed as a function of the starting position (4 different positions) and slope (30°, 45° or 60°). In Experiment 1, participants had to punch the ball as it fell off the incline. In Experiment 2, the ball rolled down the incline but was stopped at the end; participants were asked to imagine that the ball kept moving and to punch it. In Experiment 3, the ball rolled down the incline and was stopped at the end; participants were asked to draw with the hand in air the trajectory that would be described by the ball if it kept moving. We found that performance was most accurate when motion of the ball was visible until interception and haptic feedback of hand-ball contact was available (Experiment 1). However, even when participants punched an imaginary moving ball (Experiment 2) or drew in air the imaginary trajectory (Experiment 3), they were able to extrapolate to some extent global aspects of the target motion, including its path, speed and arrival time. We argue that the path and kinematics of a ball rolling down an incline can be extrapolated surprisingly well by the brain using both visual information and internal models of target motion.

Neural extrapolation of motion for a ball rolling down an inclined plane.

Directory of Open Access Journals (Sweden)

Barbara La Scaleia

Full Text Available It is known that humans tend to misjudge the kinematics of a target rolling down an inclined plane. Because visuomotor responses are often more accurate and less prone to perceptual illusions than cognitive judgments, we asked the question of how rolling motion is extrapolated for manual interception or drawing tasks. In three experiments a ball rolled down an incline with kinematics that differed as a function of the starting position (4 different positions and slope (30°, 45° or 60°. In Experiment 1, participants had to punch the ball as it fell off the incline. In Experiment 2, the ball rolled down the incline but was stopped at the end; participants were asked to imagine that the ball kept moving and to punch it. In Experiment 3, the ball rolled down the incline and was stopped at the end; participants were asked to draw with the hand in air the trajectory that would be described by the ball if it kept moving. We found that performance was most accurate when motion of the ball was visible until interception and haptic feedback of hand-ball contact was available (Experiment 1. However, even when participants punched an imaginary moving ball (Experiment 2 or drew in air the imaginary trajectory (Experiment 3, they were able to extrapolate to some extent global aspects of the target motion, including its path, speed and arrival time. We argue that the path and kinematics of a ball rolling down an incline can be extrapolated surprisingly well by the brain using both visual information and internal models of target motion.

Ball lightning dynamics and stability at moderate ion densities

International Nuclear Information System (INIS)

Morrow, R

2017-01-01

A general mechanism is presented for the dynamics and structure of ball lightning and for the maintenance of the ball lightning structure for several seconds. Results are obtained using a spherical geometry for air at atmospheric pressure, by solving the continuity equations for electrons, positive ions and negative ions coupled with Poisson’s equation. A lightning strike can generate conditions in the lightning channel with a majority of positive nitrogen ions, and a minority of negative oxygen ions and electrons. The calculations are initiated with electrons included; however, at the moderate ion densities chosen the electrons are rapidly lost to form negative ions, and after 1 µ s their influence on the ion dynamics is negligible. Further development after 1 µ s is followed using a simpler set of equations involving only positive ions and negative ions, but including ion diffusion. The space-charge electric field generated by the majority positive ions drives them from the centre of the distribution and drives the minority negative ions and electrons towards the centre of the distribution. In the central region the positive and negative ion distributions eventually overlap exactly and their space-charge fields cancel resulting in zero electric field, and the plasma ball formed is quite stable for a number of seconds. The formation of such plasma balls is not critically dependent on the initial diameter of the ion distributions, or the initial density of minority negative ions. The ion densities decrease relatively slowly due to mutual neutralization of positive and negative ions. The radiation from this neutralization process involving positive nitrogen ions and negative oxygen ions is not sufficient to account for the reported luminosity of ball lightning and some other source of luminosity is shown to be required; the plasma ball model used could readily incorporate other ions in order to account for the luminosity and range of colours reported for ball

Contribution of Visual Information about Ball Trajectory to Baseball Hitting Accuracy.

Directory of Open Access Journals (Sweden)

Takatoshi Higuchi

Full Text Available The contribution of visual information about a pitched ball to the accuracy of baseball-bat contact may vary depending on the part of trajectory seen. The purpose of the present study was to examine the relationship between hitting accuracy and the segment of the trajectory of the flying ball that can be seen by the batter. Ten college baseball field players participated in the study. The systematic error and standardized variability of ball-bat contact on the bat coordinate system and pitcher-to-catcher direction when hitting a ball launched from a pitching machine were measured with or without visual occlusion and analyzed using analysis of variance. The visual occlusion timing included occlusion from 150 milliseconds (ms after the ball release (R+150, occlusion from 150 ms before the expected arrival of the launched ball at the home plate (A-150, and a condition with no occlusion (NO. Twelve trials in each condition were performed using two ball speeds (31.9 m·s-1 and 40.3 m·s-1. Visual occlusion did not affect the mean location of ball-bat contact in the bat's long axis, short axis, and pitcher-to-catcher directions. Although the magnitude of standardized variability was significantly smaller in the bat's short axis direction than in the bat's long axis and pitcher-to-catcher directions (p < 0.001, additional visible time from the R+150 condition to the A-150 and NO conditions resulted in a further decrease in standardized variability only in the bat's short axis direction (p < 0.05. The results suggested that there is directional specificity in the magnitude of standardized variability with different visible time. The present study also confirmed the limitation to visual information is the later part of the ball trajectory for improving hitting accuracy, which is likely due to visuo-motor delay.

Knee Angle and Stride Length in Association with Ball Speed in Youth Baseball Pitchers

Directory of Open Access Journals (Sweden)

Bart van Trigt

2018-05-01

Full Text Available The purpose of this study was to determine whether stride length and knee angle of the leading leg at foot contact, at the instant of maximal external rotation of the shoulder, and at ball release are associated with ball speed in elite youth baseball pitchers. In this study, fifty-two elite youth baseball pitchers (mean age 15.2 SD (standard deviation 1.7 years pitched ten fastballs. Data were collected with three high-speed video cameras at a frequency of 240 Hz. Stride length and knee angle of the leading leg were calculated at foot contact, maximal external rotation, and ball release. The associations between these kinematic variables and ball speed were separately determined using generalized estimating equations. Stride length as percentage of body height and knee angle at foot contact were not significantly associated with ball speed. However, knee angles at maximal external rotation and ball release were significantly associated with ball speed. Ball speed increased by 0.45 m/s (1 mph with an increase in knee extension of 18 degrees at maximal external rotation and 19.5 degrees at ball release. In conclusion, more knee extension of the leading leg at maximal external rotation and ball release is associated with higher ball speeds in elite youth baseball pitchers.

Dynamic analysis of double-row self-aligning ball bearings due to applied loads, internal clearance, surface waviness and number of balls

Science.gov (United States)

Zhuo, Yaobin; Zhou, Xiaojun; Yang, Chenlong

2014-11-01

In this paper, a three degrees of freedom (dof) model was established for a double-row self-aligning ball bearing (SABB) system, and was applied to study the dynamic behavior of the system during starting process and constant speed rotating process. A mathematical model was developed concerning stiffness and damping characteristics of the bearing, as well as three-dimensional applied load, rotor centrifugal force, etc. Balls and races were all considered as nonlinear springs, and the contact force between ball and race was calculated based on classic Hertzian elastic contact deformation theory and deformation compatibility theory. The changes of each ball's contact force and loaded angle of each row were taken into account. In order to solve the nonlinear dynamical equilibrium equations of the system, these equations were rewritten as differential equations and the fourth order Runge-Kutta method was used to solve the equations iteratively. In order to verify accuracy of the dynamical model and correctness of the numerical solution method, a kind of SABB-BRF30 was chosen for case studies. The effects of several important governing parameters, such as radial and axial applied loads, normal internal, inner and outer races waviness, and number of balls were investigated. These parametric studies led to a complete characterization of the shaft-bearing system vibration transmission. The research provided a theoretical reference for new type bearing design, shaft-bearing system kinetic analysis, optimal design, etc.

An overview of Ball Aerospace cryogen storage and delivery systems

International Nuclear Information System (INIS)

Marquardt, J; Keller, J; Mills, G; Schmidt, J

2015-01-01

Starting on the Gemini program in the 1960s, Beech Aircraft (now Ball Aerospace) has been designing and manufacturing dewars for a variety of cryogens including liquid hydrogen and oxygen. These dewars flew on the Apollo, Skylab and Space Shuttle spacecraft providing fuel cell reactants resulting in over 150 manned spaceflights. Since Space Shuttle, Ball has also built the liquid hydrogen fuel tanks for the Boeing Phantom Eye unmanned aerial vehicle. Returning back to its fuel cell days, Ball has designed, built and tested a volume-constrained liquid hydrogen and oxygen tank system for reactant delivery to fuel cells on unmanned undersea vehicles (UUVs). Herein past history of Ball technology is described. Testing has been completed on the UUV specific design, which will be described. (paper)

A Novel Generic Ball Recognition Algorithm Based on Omnidirectional Vision for Soccer Robots

Directory of Open Access Journals (Sweden)

Hui Zhang

2013-11-01

Full Text Available It is significant for the final goal of RoboCup to realize the recognition of generic balls for soccer robots. In this paper, a novel generic ball recognition algorithm based on omnidirectional vision is proposed by combining the modified Haar-like features and AdaBoost learning algorithm. The algorithm is divided into offline training and online recognition. During the phase of offline training, numerous sub-images are acquired from various panoramic images, including generic balls, and then the modified Haar-like features are extracted from them and used as the input of the AdaBoost learning algorithm to obtain a classifier. During the phase of online recognition, and according to the imaging characteristics of our omnidirectional vision system, rectangular windows are defined to search for the generic ball along the rotary and radial directions in the panoramic image, and the learned classifier is used to judge whether a ball is included in the window. After the ball has been recognized globally, ball tracking is realized by integrating a ball velocity estimation algorithm to reduce the computational cost. The experimental results show that good performance can be achieved using our algorithm, and that the generic ball can be recognized and tracked effectively.

Mechanochemical Ring-Opening Polymerization of Lactide: Liquid-Assisted Grinding for the Green Synthesis of Poly(lactic acid) with High Molecular Weight.

Science.gov (United States)

Ohn, Nuri; Shin, Jihoon; Kim, Sung Sik; Kim, Jeung Gon

2017-09-22

Mechanochemical polymerization of lactide is carried out by using ball milling. Mechanical energy from collisions between the balls and the vessel efficiently promotes an organic-base-mediated metal- and solvent-free solid-state polymerization. Investigation of the parameters of the ball-milling synthesis revealed that the degree of lactide ring-opening polymerization could be modulated by the ball-milling time, vibration frequency, mass of the ball media, and liquid-assisted grinding. Liquid-assisted grinding was found to be an especially important factor for achieving a high degree of mechanochemical polymerization. Although polymer-chain scission from the strong collision energy prevented mechanical-force-driven high-molecular-weight polymer synthesis, the addition of only a small amount of liquid enabled sufficient energy dissipation and poly(lactic acid) was thereby obtained with a molecular weight of over 1×10 5  g mol -1 . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The head tracks and gaze predicts: how the world's best batters hit a ball.

Directory of Open Access Journals (Sweden)

David L Mann

Full Text Available Hitters in fast ball-sports do not align their gaze with the ball throughout ball-flight; rather, they use predictive eye movement strategies that contribute towards their level of interceptive skill. Existing studies claim that (i baseball and cricket batters cannot track the ball because it moves too quickly to be tracked by the eyes, and that consequently (ii batters do not - and possibly cannot - watch the ball at the moment they hit it. However, to date no studies have examined the gaze of truly elite batters. We examined the eye and head movements of two of the world's best cricket batters and found both claims do not apply to these batters. Remarkably, the batters coupled the rotation of their head to the movement of the ball, ensuring the ball remained in a consistent direction relative to their head. To this end, the ball could be followed if the batters simply moved their head and kept their eyes still. Instead of doing so, we show the elite batters used distinctive eye movement strategies, usually relying on two predictive saccades to anticipate (i the location of ball-bounce, and (ii the location of bat-ball contact, ensuring they could direct their gaze towards the ball as they hit it. These specific head and eye movement strategies play important functional roles in contributing towards interceptive expertise.

Micro-ball lens structure fabrication based on drop on demand printing the liquid mold

Energy Technology Data Exchange (ETDEWEB)

Zhu, Xiaoyang, E-mail: zhuxy1026@163.com; Zhu, Li, E-mail: zhuli@njust.edu.cn; Chen, Hejuan; Yang, Lijun; Zhang, Weiyi

2016-01-15

Graphical abstract: - Highlights: • The glycerol micro-ball droplet was introduced to be as liquid mold to fabricate micro-ball lens. • A molding process was used to fabricate the micro-ball lens and the scales of them can be controlled. • The accurate molding process is mainly attributed to the ultrahigh adhesion of the treated substrate. • The micro-ball lenses with contact angle of 120° and 150° were fabricated, analyzed and discussed. - Abstract: In this paper, we demonstrated a simple micro-ball lens array (MBLA) fabrication method using a drop-on-demand (DOD) droplet printing technique and liquid mold. The micro-ball droplet array on the hydrophobic surface is used as the liquid mold to fabricate the MBLA. The ultrahigh adhesion force between the micro-ball droplet and the substrate is ascribed to the Wenzel state of the micro-ball droplet, while the replication process with low position error is attributed to the ultrahigh adhesion force between the micro-ball droplet and the substrate and the high viscosity of the micro-ball droplet and polydimethylsiloxane (PDMS) liquid. The micro-ball lenses (MBLs) with a contact angle of 120° and 150° were fabricated and the important fabrication details were discussed. The optical performance and scanning electron microscope (SEM) data of the MBLs showed that the MBLs had high quality surface morphology and good optical performance.

Predicting brain acceleration during heading of soccer ball

Science.gov (United States)

Taha, Zahari; Hasnun Arif Hassan, Mohd; Azri Aris, Mohd; Anuar, Zulfika

2013-12-01

There has been a long debate whether purposeful heading could cause harm to the brain. Studies have shown that repetitive heading could lead to degeneration of brain cells, which is similarly found in patients with mild traumatic brain injury. A two-degree of freedom linear mathematical model was developed to study the impact of soccer ball to the brain during ball-to-head impact in soccer. From the model, the acceleration of the brain upon impact can be obtained. The model is a mass-spring-damper system, in which the skull is modelled as a mass and the neck is modelled as a spring-damper system. The brain is a mass with suspension characteristics that are also defined by a spring and a damper. The model was validated by experiment, in which a ball was dropped from different heights onto an instrumented dummy skull. The validation shows that the results obtained from the model are in a good agreement with the brain acceleration measured from the experiment. This findings show that a simple linear mathematical model can be useful in giving a preliminary insight on what human brain endures during a ball-to-head impact.

The methodology of composing the exercises system with fit balls.

Directory of Open Access Journals (Sweden)

Voronov N.P.

2011-02-01

Full Text Available The original methodology of composing the exercises system with fit balls was considered. More than 10 publications were analysed. On the lesson with fit balls the problem was revealed. In the experiment took part 30 students at the age from 18 till 21. All the famous exercises were systematized. As a result, a big attractiveness and assimilability of the proposed complex was revealed. The effectiveness of the complex of physical exercises with fit balls for students was proved.

Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

Science.gov (United States)

de Pablo, Juan

2015-03-01

Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

Constructing Molecular Models with Low-Cost Toy Beads

Science.gov (United States)

Ng, Pun-hon; Wong, Siu-ling; Mak, Se-yuen

2012-01-01

In teaching the science of the nano world, ball-and-stick molecular models are frequently used as 3D representations of molecules. Unlike a chemical formula, a molecular model allows us to visualise the 3D shape of the molecule and the relative positions of its atoms, the bonds between atoms and why a pair of mirror isomers with the same atoms,…

Stimulated leaks found with SmartBall tool

Energy Technology Data Exchange (ETDEWEB)

Anon.

2011-05-15

Pure Technologies has developed a SmartBall leak detection tool which can be used in oil and gas pipelines. This tool contains acoustic sensors which listen for leaks and other problems in pipelines. Pig tracking units are used to track the tool along with receivers positioned on the pipe. With these technologies, SmartBall is able to detect small leaks that conventional methods would not detect and to assess their location accurately. Two runs on a Petrobras pipeline in Brazil highlighted the effectiveness of this technology, detecting three simulated leaks as small as 240mL/min. In addition, this system can give an estimation of the leak rate and traverse non piggable pipelines. Software is then used to analyze data and generate a report giving the size and location of the leaks identified. SmartBall is a technology capable of detecting small leaks and locating them in all sorts of oil and gas pipelines.

Petrography and microanalysis of Pennsylvanian coal-ball concretions (Herrin Coal, Illinois Basin, USA): Bearing on fossil plant preservation and coal-ball origins

Science.gov (United States)

Siewers, Fredrick D.; Phillips, Tom L.

2015-11-01

Petrographic analyses of 25 coal balls from well-studied paleobotanical profiles in the Middle Pennsylvanian Herrin Coal (Westphalian D, Illinois Basin) and five select coal balls from university collections, indicate that Herrin Coal-ball peats were permineralized by fibrous and non-fibrous carbonates. Fibrous carbonates occur in fan-like to spherulitic arrays in many intracellular (within tissue) pores, and are best developed in relatively open extracellular (between plant) pore spaces. Acid etched fibrous carbonates appear white under reflected light and possess a microcrystalline texture attributable to abundant microdolomite. Scanning electron microscopy, X-ray diffraction, and electron microprobe analysis demonstrate that individual fibers have a distinct trigonal prism morphology and are notable for their magnesium content (≈ 9-15 mol% MgCO3). Non-fibrous carbonates fill intercrystalline spaces among fibers and pores within the peat as primary precipitates and neomorphic replacements. In the immediate vicinity of plant cell walls, non-fibrous carbonates cut across fibrous carbonates as a secondary, neomorphic phase attributed to coalification of plant cell walls. Dolomite occurs as diagenetic microdolomite associated with the fibrous carbonate phase, as sparite replacements, and as void-filling cement. Maximum dolomite (50-59 wt.%) is in the top-of-seam coal-ball zone at the Sahara Mine, which is overlain by the marine Anna Shale. Coal-ball formation in the Herrin Coal began with the precipitation of fibrous high magnesium calcite. The trigonal prism morphology of the carbonate fibers suggests rapid precipitation from super-saturated, meteoric pore waters. Carbonate precipitation from marine waters is discounted on the basis of stratigraphic, paleobotanical, and stable isotopic evidence. Most non-fibrous carbonate is attributable to later diagenetic events, including void-fill replacements, recrystallization, and post-depositional fracture fills. Evidence

Effect of ball-milling to the surface morphology of CaCO3

Science.gov (United States)

Sulimai, N. H.; Rani, Rozina Abdul; Khusaimi, Z.; Abdullah, S.; Salifairus, M. J.; Alrokayan, Salman; Khan, Haseeb; Rusop, M.

2018-05-01

Calcium Carbonate can be synthesized in many approaches. This work studied on the physical changes to Calcium Carbonate (CaCO3) by ball-milling activity in different parameters; number of ball; collision duration; revolution per minute (RPM). Zirconia balls were used in the work because it has the best durability to withstand ball-milling conditions set. Industrial grade CaCO3 particles that were run in aforementioned parameters were characterized by Field Emission Scanning Electron Microscope (FE-SEM) to study the physical changes on the size and surface of the CaCO3. They were also characterized with Fourier Transform Infra-red Spectroscopy (FTIR) were fingerprint of CaCO3 regions were identified and any changes in the band position and intensity were discussed. Number of Zirconia balls and collision duration is directly proportional to the absorbance intensity whereas it is inversely proportional for the rpm. The best number of parameters producing the highest Absorbance is 100 Zirconia balls in duration of 1 hour and 100rpm.

Temperature sensitivity of void nucleation and growth parameters for single crystal copper: a molecular dynamics study

International Nuclear Information System (INIS)

Rawat, S; Chavan, V M; Warrier, M; Chaturvedi, S

2011-01-01

The effect of temperature on the void nucleation and growth is studied using the molecular dynamics (MD) code LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). Single crystal copper is triaxially expanded at 5 × 10 9  s −1 strain rate keeping the temperature constant. It is shown that the nucleation and growth of voids at these atomistic scales follows a macroscopic nucleation and growth (NAG) model. As the temperature increases there is a steady decrease in the nucleation and growth thresholds. As the melting point of copper is approached, a double-dip in the pressure–time profile is observed. Analysis of this double-dip shows that the first minimum corresponds to the disappearance of the long-range order due to the creation of stacking faults and the system no longer has a FCC structure. There is no nucleation of voids at this juncture. The second minimum corresponds to the nucleation and incipient growth of voids. We present the sensitivity of NAG parameters to temperature and the analysis of double-dip in the pressure–time profile for single crystal copper at 1250 K

Effect of Molecular Flexibility on the Nematic-to-Isotropic Phase Transition for Highly Biaxial Molecular Non-Symmetric Liquid Crystal Dimers

Science.gov (United States)

Sebastián, Nerea; López, David Orencio; Diez-Berart, Sergio; de la Fuente, María Rosario; Salud, Josep; Pérez-Jubindo, Miguel Angel; Ros, María Blanca

2011-01-01

In this work, a study of the nematic (N)–isotropic (I) phase transition has been made in a series of odd non-symmetric liquid crystal dimers, the α-(4-cyanobiphenyl-4’-yloxy)-ω-(1-pyrenimine-benzylidene-4’-oxy) alkanes, by means of accurate calorimetric and dielectric measurements. These materials are potential candidates to present the elusive biaxial nematic (NB) phase, as they exhibit both molecular biaxiality and flexibility. According to the theory, the uniaxial nematic (NU)–isotropic (I) phase transition is first-order in nature, whereas the NB–I phase transition is second-order. Thus, a fine analysis of the critical behavior of the N–I phase transition would allow us to determine the presence or not of the biaxial nematic phase and understand how the molecular biaxiality and flexibility of these compounds influences the critical behavior of the N–I phase transition. PMID:28824100

The head tracks and gaze predicts: how the world's best batters hit the ball

NARCIS (Netherlands)

Mann, D.L.; Spratford, W.; Abernethy, B.

2013-01-01

Hitters in fast ball-sports do not align their gaze with the ball throughout ball-flight; rather, they use predictive eye movement strategies that contribute towards their level of interceptive skill. Existing studies claim that (i) baseball and cricket batters cannot track the ball because it moves

Structural, vibrational and theoretical studies of anilinium trichloroacetate: New hydrogen bonded molecular crystal with nonlinear optical properties

Science.gov (United States)

Tanak, H.; Pawlus, K.; Marchewka, M. K.; Pietraszko, A.

2014-01-01

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm-1 and 3600-80 cm-1 regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system. The optimized molecular structure, vibrational wavenumbers, IR intensities and Raman activities have been calculated by using density functional method (B3LYP) with 6-311++G(d,p) as higher basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. DSC measurements on powder samples do not indicate clearly on the occurrence of phase transitions in the temperature 113-293 K. The Kurtz and Perry powder reflection technique appeared to be very effective in studies of second-order nonlinear optical properties of the molecule. The non-linear optical properties are also addressed theoretically. The predicted NLO properties of the title compound are much greater than ones of urea. In addition, DFT calculations of the title compound, molecular electrostatic potential, frontier orbitals and thermodynamic properties were also performed at 6-311++G(d,p) level of theory. For title crystal the SHG efficiency was estimated by Kurtz-Perry method to be deff = 0.70 deff (KDP).

The Energy Cost of Running with the Ball in Soccer.

Science.gov (United States)

Piras, Alessandro; Raffi, Milena; Atmatzidis, Charalampos; Merni, Franco; Di Michele, Rocco

2017-11-01

Running with the ball is a soccer-specific activity frequently used by players during match play and training drills. Nevertheless, the energy cost (EC) of on-grass running with the ball has not yet been determined. The purpose of this study was therefore to assess the EC of constant-speed running with the ball, and to compare it with the EC of normal running. Eight amateur soccer players performed two 6- min runs at 10 km/h on artificial turf, respectively with and without the ball. EC was measured with indirect calorimetry and, furthermore, estimated with a method based on players' accelerations measured with a GPS receiver. The EC measured with indirect calorimetry was higher in running with the ball (4.60±0.42 J/kg/m) than in normal running (4.19±0.33 J/kg/m), with a very likely moderate difference between conditions. Instead, a likely small difference was observed between conditions for EC estimated from GPS data (4.87±0.07 vs. 4.83±0.08 J/kg/m). This study sheds light on the energy expenditure of playing soccer, providing relevant data about the EC of a typical soccer-specific activity. These findings may be a reference for coaches to precisely determine the training load in drills with the ball, such as soccer-specific circuits or small-sided games. © Georg Thieme Verlag KG Stuttgart · New York.

GaN Schottky diodes with single-crystal aluminum barriers grown by plasma-assisted molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Tseng, H. Y.; Yang, W. C.; Lee, P. Y.; Lin, C. W.; Cheng, Kai-Yuan; Hsieh, K. C.; Cheng, K. Y., E-mail: kycheng@ee.nthu.edu.tw [Department of Electrical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Hsu, C.-H. [Division of Scientific Research, National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China)

2016-08-22

GaN-based Schottky barrier diodes (SBDs) with single-crystal Al barriers grown by plasma-assisted molecular beam epitaxy are fabricated. Examined using in-situ reflection high-energy electron diffractions, ex-situ high-resolution x-ray diffractions, and high-resolution transmission electron microscopy, it is determined that epitaxial Al grows with its [111] axis coincident with the [0001] axis of the GaN substrate without rotation. In fabricated SBDs, a 0.2 V barrier height enhancement and 2 orders of magnitude reduction in leakage current are observed in single crystal Al/GaN SBDs compared to conventional thermal deposited Al/GaN SBDs. The strain induced piezoelectric field is determined to be the major source of the observed device performance enhancements.

Effect of Chain Conformation on the Single-Molecule Melting Force in Polymer Single Crystals: Steered Molecular Dynamics Simulations Study.

Science.gov (United States)

Feng, Wei; Wang, Zhigang; Zhang, Wenke

2017-02-28

Understanding the relationship between polymer chain conformation as well as the chain composition within the single crystal and the mechanical properties of the corresponding single polymer chain will facilitate the rational design of high performance polymer materials. Here three model systems of polymer single crystals, namely poly(ethylene oxide) (PEO), polyethylene (PE), and nylon-66 (PA66) have been chosen to study the effects of chain conformation, helical (PEO) versus planar zigzag conformation (PE, PA66), and chain composition (PE versus PA66) on the mechanical properties of a single polymer chain. To do that, steered molecular dynamics simulations were performed on those polymer single crystals by pulling individual polymer chains out of the crystals. Our results show that the patterns of force-extension curve as well as the chain moving mode are closely related to the conformation of the polymer chain in the single crystal. In addition, hydrogen bonds can enhance greatly the force required to stretch the polymer chain out of the single crystal. The dynamic breaking and reformation of multivalent hydrogen bonds have been observed for the first time in PA66 at the single molecule level.

The coefficient of restitution of pressurized balls: a mechanistic model

Science.gov (United States)

Georgallas, Alex; Landry, Gaëtan

2016-01-01

Pressurized, inflated balls used in professional sports are regulated so that their behaviour upon impact can be anticipated and allow the game to have its distinctive character. However, the dynamics governing the impacts of such balls, even on stationary hard surfaces, can be extremely complex. The energy transformations, which arise from the compression of the gas within the ball and from the shear forces associated with the deformation of the wall, are examined in this paper. We develop a simple mechanistic model of the dependence of the coefficient of restitution, e, upon both the gauge pressure, P_G, of the gas and the shear modulus, G, of the wall. The model is validated using the results from a simple series of experiments using three different sports balls. The fits to the data are extremely good for P_G > 25 kPa and consistent values are obtained for the value of G for the wall material. As far as the authors can tell, this simple, mechanistic model of the pressure dependence of the coefficient of restitution is the first in the literature. *%K Coefficient of Restitution, Dynamics, Inflated Balls, Pressure, Impact Model

In Vitro Antimicrobial Activity of Gel Containing the Herbal Ball Extract against Propionibacterium acnes

Directory of Open Access Journals (Sweden)

Chutima Jantarat

2018-02-01

Full Text Available The herbal ball has been used as a Thai traditional medicine for relieving many diseases including acne. However, the application process of the herbal ball in practice is complicated and time consuming. The objective of this work was to utilize an herbal ball extract to formulate a gel to reach a more favorable use of the herbal ball for acne treatment. An herbal ball consisting of Andrographis paniculata, Centella asiatica, the Benchalokawichian remedy and the stem bark powder of Hesperethusa crenulata was prepared. The obtained herbal ball was steamed and squeezed to obtain the extract. Gel formulations containing the herbal ball extract at concentrations of 0.1, 1 and 5% w/w were prepared based on a carbomer gel. The herbal ball extract had antioxidant (EC50 = 219.27 ± 36.98 μg/mL and anti Propionibacterium acnes activities (minimum inhibitory concentration (MIC and minimum bactericidal concentration (MBC = 31.25 μg/mL. The 5% w/w gel formulation had antimicrobial activity against P. acnes, showing an inhibition zone value of 10.00 ± 1.00 mm. This indicates that the developed gel formulation has potential for acne treatment. In comparison to the traditional method of herbal ball usage, the application of herbal ball extract in the form of gel should be more convenient to use.

Inulin crystal initiation via a glucose-fructose cross-link of adjacent polymer chains: atomic force microscopy and static molecular modelling.

Science.gov (United States)

Cooper, Peter D; Rajapaksha, K Harinda; Barclay, Thomas G; Ginic-Markovic, Milena; Gerson, Andrea R; Petrovsky, Nikolai

2015-03-06

Semi-crystalline microparticles of inulin (MPI) have clinical utility as potent human vaccine adjuvants but their relevant surface structure and crystal assembly remain undefined. We show inulin crystal surfaces to resemble multi-layered, discoid radial spherulites resulting from very rapid formation of complex tertiary structures, implying directed crystal initiation. Physical and in silico molecular modelling of unit cells confirm steric feasibility of initiation by hydrogen-bonded cross-linking of terminal glucose to a fructose of another chain, mimicking bonding in sucrose crystals. A strong, chelate-like dual H-bond is proposed to compel the known antiparallel alignment of inulin chains. Such cross-linking would require one extra fructose per chain in the native inulin crystal, as observed. Completion of five H-bonded internal ring-domains would 'lock in' each new 6-fructose structural unit of each antiparallel helix pair to create a new isoform. All known properties of inulin isoforms follow readily from these concepts. Copyright © 2014 Elsevier Ltd. All rights reserved.

A necrotic lung ball caused by co-infection with Candida and Streptococcus pneumoniae

Directory of Open Access Journals (Sweden)

Yokoyama T

2011-12-01

Full Text Available Toshinobu Yokoyama, Jun Sasaki, Keita Matsumoto, Chie Koga, Yusuke Ito, Yoichiro Kaku, Morihiro Tajiri, Hiroki Natori, Masashi HirokawaDivision of Respirology, Neurology and Rheumatology, Department of Internal Medicine, Kurume University School of Medicine, Kurume, JapanIntroduction: A necrotic lung ball is a rare radiological feature that is sometimes seen in cases of pulmonary aspergillosis. This paper reports a rare occurrence of a necrotic lung ball in a young male caused by Candida and Streptococcus pneumoniae.Case report: A 28-year-old male with pulmonary candidiasis was found to have a lung ball on computed tomography (CT of the chest. The patient was treated with ß-lactams and itraconazole and then fluconazole, which improved his condition (as found on a following chest CT scan and serum ß-D-glucan level. The necrotic lung ball was suspected to have been caused by co-infection with Candida and S. pneumoniae.Conclusion: A necrotic lung ball can result from infection by Candida and/or S. pneumoniae, indicating that physicians should be aware that patients may still have a fungal infection of the lungs that could result in a lung ball, even when they do not have either Aspergillus antibodies or antigens.Keywords: lung ball, necrotic lung ball, Candida, Streptococcus pneumoniae

Soccer ball lift coefficients via trajectory analysis

International Nuclear Information System (INIS)

Goff, John Eric; Carre, Matt J

2010-01-01

We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin parameters that have not been obtained by today's wind tunnels. Our trajectory analysis technique is not only a valuable tool for professional sports scientists, it is also accessible to students with a background in undergraduate-level classical mechanics.

Soccer ball lift coefficients via trajectory analysis

Energy Technology Data Exchange (ETDEWEB)

Goff, John Eric [Department of Physics, Lynchburg College, Lynchburg, VA 24501 (United States); Carre, Matt J, E-mail: goff@lynchburg.ed [Department of Mechanical Engineering, University of Sheffield, Sheffield S1 3JD (United Kingdom)

2010-07-15

We performed experiments in which a soccer ball was launched from a machine while two high-speed cameras recorded portions of the trajectory. Using the trajectory data and published drag coefficients, we extracted lift coefficients for a soccer ball. We determined lift coefficients for a wide range of spin parameters, including several spin parameters that have not been obtained by today's wind tunnels. Our trajectory analysis technique is not only a valuable tool for professional sports scientists, it is also accessible to students with a background in undergraduate-level classical mechanics.

Molecular Dynamics Study on Nucleation Behavior and Lamellar Mergence of Polyethylene Globule Crystallization

Science.gov (United States)

Yang, Xiaozhen; Wang, Simiao

2012-02-01

The site order parameter (SOP) has been adopted to analyze various order structure formation and distribution during the crystallization of a multi-chain polyethylene globule simulated by molecular dynamics. We found that the nucleation relies on crystallinity fluctuation with increase of amplitude, and the baby nucleus in the fluctuation suddenly appears with different shape and increasing size. In the growth stage, a number of lamellar mergence was observed and their selective behaviors were suggested to be related to the orientation difference between the merging lamellae. We obtained that SOP distribution of all atoms in the system during crystallization appears with two peaks: one for the amorphous phase and the other for the crystalline phase. Mesomorphic structures with medium orders locate between the two peaks as an order promotion pathway. Obtained data show that the medium order structure fluctuates at the growth front and does not always be available; the medium order structure existing at the front is not always good for developing. It is possibly caused by chain entanglement.

Properties of the Sodium Naproxen-Lactose-Tetrahydrate Co-Crystal upon Processing and Storage

DEFF Research Database (Denmark)

Sovago, Ioana; Wang, Wenbo; Qiu, Danwen

2016-01-01

naproxen-lactose-tetrahydrate co-crystal and the co-amorphous mixture of sodium, naproxen, and lactose was investigated. The structure of the co-crystal is described using single-crystal X-ray diffraction. The structural analysis revealed a monoclinic lattice, space group P21, with the asymmetric unit...... containing one molecule of lactose, one of naproxen, sodium, and four water molecules. Upon heating, it was observed that the co-crystal transforms into a co-amorphous system due to the loss of its crystalline bound water. Dehydration and co-amorphization were studied using synchrotron X-ray radiation...... and thermogravimetric analysis (TGA). Subsequently, different processing techniques (ball milling, spray drying, and dehydration) were used to prepare the co-amorphous mixture of sodium, naproxen, and lactose. X-ray powder diffraction (XRPD) revealed the amorphous nature of the mixtures after preparation. Differential...

Crystal structure and vibrational spectra of piperazinium bis(4-hydroxybenzenesulphonate) molecular-ionic crystal

Science.gov (United States)

Marchewka, M. K.; Pietraszko, A.

2008-02-01

The piperazinium bis(4-hydroxybenzenesulphonate) crystallizes from water solution at room temperature in P2 1/ c space group of monoclinic system. The crystals are built up of doubly protonated piperazinium cations and ionized 4-hydroxybenzenesulphonate anions that interact through weak hydrogen bonds of O-H⋯O and N-H⋯O type. Mutual orientation of anions is determined by non-conventional hydrogen bonds of C-H⋯π type. Room temperature powder FT IR and FT Raman measurements were carried out. The vibrational spectra are in full agreement with the structure obtained from X-ray crystallography. The big single crystals of the title salt can be grown.

Visual Illusions and the Control of Ball Placement in Goal-Directed Hitting

Science.gov (United States)

Caljouw, Simone R.; Van der Kamp, John; Savelsbergh, Geert J. P.

2010-01-01

When hitting, kicking, or throwing balls at targets, online control in the target area is impossible. We assumed this lack of late corrections in the target area would induce an effect of a single-winged Muller-Lyer illusion on ball placement. After extensive practice in hitting balls to different landing locations, participants (N = 9) had to hit…

Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II Complex

Directory of Open Access Journals (Sweden)

Hakan Arslan

2011-01-01

Full Text Available Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II complex has been synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, with a = 13.046(2 Å, b = 13.135(2 Å, c = 13.179(2 Å, α= 67.083(4°, β= 67.968(4°, γ = 84.756(4° and Dcalc =1.330 g/cm3 for Z = 2. The crystal structure confirms that the complex is a mononuclear copper(II complex and the 2,2-diphenyl-N-(di-n-propyl-carbamothioylacetamide ligand is a bidentate chelating ligand, coordinating to the copper atom through the thiocarbonyl and carbonyl groups. This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11°, O1-Cu1-S1: 93.85(9°, O2-Cu1-S2: 94.20(9° and S1-Cu1-S2: 91.21(4°. The title molecule shows a cis-arrangement and C–O, C–S and C–N bond lengths of the complex suggest considerable electronic delocalization in the chelate rings.

Linearly convergent stochastic heavy ball method for minimizing generalization error

KAUST Repository

Loizou, Nicolas; Richtarik, Peter

2017-01-01

In this work we establish the first linear convergence result for the stochastic heavy ball method. The method performs SGD steps with a fixed stepsize, amended by a heavy ball momentum term. In the analysis, we focus on minimizing the expected loss

IceCube potential for detecting Q-ball dark matter in gauge mediation

International Nuclear Information System (INIS)

Kasuya, Shinta; Kawasaki, Masahiro; Yanagida, Tsutomu T.

2015-01-01

We study Q-ball dark matter in gauge-mediated supersymmetry breaking, and seek the possibility of detection in the IceCube experiment. We find that the Q balls would be the dark matter in the parameter region different from that for gravitino dark matter. In particular, the Q ball is a good dark matter candidate for low reheating temperature, which may be suitable for the Affleck–Dine baryogenesis and/or nonthermal leptogenesis. Dark matter Q balls are detectable by IceCube-like experiments in the future, which is a peculiar feature compared to the case of gravitino dark matter

An assessment of dioxin levels in processed ball clay from the United States

Energy Technology Data Exchange (ETDEWEB)

Ferrario, J.; Byrne, C. [USEPA, Stennis Space Ctr. Mississippi (United States); Schaum, J. [USEPA, Washington, DC (United States)

2004-09-15

Introduction The presence of dioxin-like compounds in ball clay was discovered in 1996 as a result of an investigation to determine the sources of elevated levels of dioxin found in two chicken fat samples from a national survey of poultry. The investigation indicated that soybean meal added to chicken feed was the source of dioxin contamination. Further investigation showed that the dioxin contamination came from the mixing of a natural clay known as ''ball clay'' with the soybean meal as an anti-caking agent. The FDA subsequently discontinued the use of contaminated ball clay as an anti-caking agent in animal feeds. The source of the dioxins found in ball clay has yet to be established. A comparison of the characteristic dioxin profile found in ball clay to those of known anthropogenic sources from the U.S.EPA Source Inventory has been undertaken, and none of those examined match the features found in the clays. These characteristic features together with the fact that the geologic formations in which the clays are found are ancient suggest a natural origin for the dioxins. The plasticity of ball clays makes them an important commercial resource for a variety of commercial uses. The percentage of commercial uses of ball clay in 2000 included: 29% for floor and wall tile, 24% for sanitary ware, 10% pottery, and 37% for other industrial and commercial uses. The total mining of ball clay in the U.S. for 2003 was 1.12 million metric tons. EPA is examining the potential for the environmental release of dioxins from the processing/use of ball clays and evaluating potential exposure pathways. Part of this overall effort and the subject of this study includes the analysis of dioxin levels found in commercially available ball clays commonly used in ceramic art studios.

Numerical simulation and analysis of ball valve three-dimensional flow based on CFD

International Nuclear Information System (INIS)

Zhang, S C; Zhang, Y L; Fang, Z M

2012-01-01

The new rotor oil-gas mixture pump that added ball valves in its export is a kind of innovative products, which can better adapt to the oil and gas mixed condition. In order to explore the rule of flow field in the export ball valve of new rotor oil-gas mixture pump, established the 3 d model of ball valve flow field was established. Using the FLUENT software, combining the standard k-ε turbulent model with multiphase flow technology and adopting the SIMPLE algorithm to simulate the 3 d gas-liquid two phase flow field in export ball valve of new rotor oil-gas mixture pump. In the different conditions that the volume of gas rate was 25%, 50%, 75%, through analyzing the velocity field, stress field and the distribution of the liquid and gas with the ball valve open height respectively at 3mm, 5mm, 7mm. Discussed how open height and different volume of gas rate to influence the field in export ball valve in the process of gas-liquid mixing was discussed. The simulation results showed that the greater the open height, the smaller the difference pressure of ball valve; the gap velocity decreasing with the open height increasing. The gas is mainly distributed in the vicinity of the valve ball in the process of gas-liquid mixing. The gas liquid ratio has a little effect on the gap velocity in the same open height. The results showed the flow field forms in the ball valve directly, to a certain degree, it had released the rules of gas-liquid flow in the valve and provided the theoretical guidance for design and optimization of the new rotor oil-gas mixture pump export ball valve.

Crystallization and preliminary characterization of three different crystal forms of human saposin C heterologously expressed in Pichia pastoris

International Nuclear Information System (INIS)

Schultz-Heienbrok, Robert; Remmel, Natascha; Klingenstein, R.; Rossocha, Maksim; Sandhoff, Konrad; Saenger, Wolfram; Maier, Timm

2006-01-01

Three different crystal forms were obtained of human saposin C. The structures could not be determined by molecular replacement using known solution structures of the protein as search models, supporting the notion of a highly flexible protein. The amphiphilic saposin proteins (A, B, C and D) act at the lipid–water interface in lysosomes, mediating the hydrolysis of membrane building blocks by water-soluble exohydrolases. Human saposin C activates glucocerebrosidase and β-galactosylceramidase. The protein has been expressed in Pichia pastoris, purified and crystallized in three different crystal forms, diffracting to a maximum resolution of 2.5 Å. Hexagonal crystals grew from 2-propanol-containing solution and contain a single molecule in the asymmetric unit according to the Matthews coefficient. Orthorhombic and tetragonal crystals were both obtained with pentaerythritol ethoxylate and are predicted to contain two molecules in the asymmetric unit. Attempts to determine the respective crystal structures by molecular replacement using either the known NMR structure of human saposin C or a related crystal structure as search models have so far failed. The failure of the molecular-replacement method is attributed to conformational changes of the protein, which are known to be required for its biological activity. Crystal structures of human saposin C therefore might be the key to mapping out the conformational trajectory of saposin-like proteins

Size doesn't really matter: ambiguity aversion in Ellsberg urns with few balls.

Science.gov (United States)

Pulford, Briony D; Colman, Andrew M

2008-01-01

When attempting to draw a ball of a specified color either from an urn containing 50 red balls and 50 black balls or from an urn containing an unknown ratio of 100 red and black balls, a majority of decision makers prefer the known-risk urn, and this ambiguity aversion effect violates expected utility theory. In an experimental investigation of the effect of urn size on ambiguity aversion, 149 participants showed similar levels of aversion when choosing from urns containing 2, 10, or 100 balls. The occurrence of a substantial and significant ambiguity aversion effect even in the smallest urn suggests that influential theoretical interpretations of ambiguity aversion may need to be reconsidered.

Space Shuttle Orbital Maneuvering Subsystem (OMS) Engine Propellant Leakage Ball-Valve Shaft Seals

Science.gov (United States)

Lueders, Kathy; Buntain, Nick; Fries, Joseph (Technical Monitor)

1999-01-01

Evidence of propellant leakage across ball-valve shaft seals has been noted during the disassembly of five flight engines and one test engine at the NASA Lyndon B. Johnson Space Center, White Sands Test Facility. Based on data collected during the disassembly of these five engines, the consequences of propellant leakage across the ball-valve shaft seals can be divided into four primary areas of concern: Damage to the ball-valve pinion shafts, damage to sleeved bearings inside the ball-valve and actuator assemblies, degradation of the synthetic rubber o-rings used in the actuator assemblies, and corrosion and degradation to the interior of the actuator assemblies. The exact time at which leakage across the ball-valve shaft seals occurs has not been determined, however, the leakage most likely occurs during engine firings when, depending on the specification used, ball-valve cavity pressures range as high as 453 to 550 psia. This potential pressure range for the ball-valve cavities greatly exceeds the acceptance leakage test pressure of 332 psia. Since redesign and replacement of the ball-valve shaft seals is unlikely, the near term solution to prevent damage that occurs from shaft-seal leakage is to implement a routine overhaul and maintenance program for engines in the fleet. Recommended repair, verification, and possible preventative maintenance measures are discussed in the paper.

Biaxial testing for nuclear grade graphite by ball on three balls assessment

International Nuclear Information System (INIS)

Mohd Reusmaazran Yusof; Yusof Abdullah

2012-01-01

Nuclear grade (high-purity) graphite for fuel element and moderator material in Advanced Gas Cooling Reactors (AGR) displays large scatter in strength and a non-linear stress-strain response from the damage accumulation. These responses can be characterized as quasi-brittle behaviour. Current assessments of fracture in core graphite components are based on the linear elastic approximation and thus represent a major assumption. The quasi-brittle behaviour gives challenge to assess the real nuclear graphite component. The selected test method would help to bridge the gap between microscale to macro-scale in real reactor component. The small scale tests presented here can contribute some statistical data to manifests the failure in real component. The evaluation and choice of different solution design of biaxial test will be discussed in this paper. The ball on-three ball test method was used for assessment test follows by numerous of analytical method. The results shown that biaxial strength of the EY9 grade graphite depends on the method used for evaluation. Some of the analytical methods use to calculate biaxial strength were found not to be valid and therefore should not be used to assess the mechanical properties of nuclear graphite. (author)

CFD Study of Drag and Lift of Sepak Takraw Ball at Different Face Orientations

Directory of Open Access Journals (Sweden)

Abdul Syakir Abdul Mubin

2015-01-01

Full Text Available There have been a significant number of researches on computational fluid dynamic (CFD analysis of balls used in sports such as golf balls, tennis balls, and soccer balls. Sepak takraw is a high speed court game predominantly played in Southeast Asia using mainly the legs and head. The sepak takraw ball is unique because it is not enclosed and made of woven plastic. Hence a study of its aerodynamicswould give insight into its behaviour under different conditions of play. In this study the dynamics of the fluid around a static sepak takraw ball was investigated at different wind speeds for three different orientations using CFD. It was found that although the drag did not differ very much, increasing the wind velocity causes an increase in drag. The lift coefficientvaries as the velocity increases and does not show a regular pattern. The drag and lift coefficients are influenced by the orientation of the sepak takraw ball.

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

KAUST Repository

Sun, Haitao

2016-05-16

We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal-phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials.

Exact solutions, energy, and charge of stable Q-balls

Energy Technology Data Exchange (ETDEWEB)

Bazeia, D.; Marques, M.A. [Universidade Federal da Paraiba, Departamento de Fisica, Joao Pessoa, PB (Brazil); Menezes, R. [Universidade Federal da Paraiba, Departamento de Ciencias Exatas, Rio Tinto, PB (Brazil); Universidade Federal de Campina Grande, Departamento de Fisica, Campina Grande, PB (Brazil)

2016-05-15

In this work we deal with nontopological solutions of the Q-ball type in two spacetime dimensions. We study models of current interest, described by a Higgs-like and other, similar potentials which unveil the presence of exact solutions. We use the analytic results to investigate how to control the energy and charge to make the Q-balls stable. (orig.)

Attempted - to -Phase Conversion of Croconic Acid via Ball Milling

Science.gov (United States)

2017-05-18

ARL-TN-0824 MAY 2017 US Army Research Laboratory Attempted α- to β-Phase Conversion of Croconic Acid via Ball Milling by...Laboratory Attempted α- to β-Phase Conversion of Croconic Acid via Ball Milling by Steven W Dean, Rose A Pesce-Rodriguez, and Jennifer A Ciezak...

Crystallization and preliminary X-ray characterization of a thermostable low-molecular-weight 1,4-β-d-glucan glucohydrolase from an alkalothermophilic Thermomonospora sp

Energy Technology Data Exchange (ETDEWEB)

Manikandan, K. [Department of Physics, Indian Institute of Science, Bangalore 560 012 (India); Jagtap, S.; Rao, M. [Division of Biochemical Sciences, National Chemical Laboratory, Pune 411 008 (India); Ramakumar, S., E-mail: ramak@physics.iisc.ernet.in [Department of Physics, Indian Institute of Science, Bangalore 560 012 (India); Bioinformatics Centre, Indian Institute of Science, Bangalore 560 012 (India)

2006-04-01

A low-molecular-weight cellulase from an alkalothermophilic Thermomonospora sp. has been crystallized. A diffraction data set has been collected to 2.3 Å resolution. Cellulases catalyze the hydrolysis of β-1,4-glycosidic linkages within cellulose, the most abundant organic polymer on earth. The cellulase (TSC; EC 3.2.1.4) from an alkalothermophilic Thermomonospora sp. has a low molecular weight of 14.2 kDa. It is optimally active at 323 K and stable over the wide pH range of 5–9. Moreover, it has bifunctional activity against cellulose and xylan polymers. In this study, TSC was purified from the native source and crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the orthorhombic space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 49.9, b = 79.5, c = 99.7 Å, and diffract to better than 2.3 Å resolution.

Crystallization and preliminary X-ray characterization of a thermostable low-molecular-weight 1,4-β-d-glucan glucohydrolase from an alkalothermophilic Thermomonospora sp

International Nuclear Information System (INIS)

Manikandan, K.; Jagtap, S.; Rao, M.; Ramakumar, S.

2006-01-01

A low-molecular-weight cellulase from an alkalothermophilic Thermomonospora sp. has been crystallized. A diffraction data set has been collected to 2.3 Å resolution. Cellulases catalyze the hydrolysis of β-1,4-glycosidic linkages within cellulose, the most abundant organic polymer on earth. The cellulase (TSC; EC 3.2.1.4) from an alkalothermophilic Thermomonospora sp. has a low molecular weight of 14.2 kDa. It is optimally active at 323 K and stable over the wide pH range of 5–9. Moreover, it has bifunctional activity against cellulose and xylan polymers. In this study, TSC was purified from the native source and crystallized by the hanging-drop vapour-diffusion method. The crystals belong to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 49.9, b = 79.5, c = 99.7 Å, and diffract to better than 2.3 Å resolution

Study of memory effects in polymer dispersed liquid crystal films

International Nuclear Information System (INIS)

Han, Jinwoo

2006-01-01

In this work, we have studied the memory effects in polymer dispersed liquid crystal films. We found that optical responses, such as the memory effects, of the films depended strongly on the morphology. For example, memory effects were observed for films with polymer ball morphologies; however, only weak hysteresis effects were observed for films with droplet morphologies. In particular, a stronger memory effect was observed for films with more complicated polymer ball structures. Coincidentally, T TE , the temperature at which the memory state is thermally erased, was generally higher for the films exhibiting a stronger memory effect. In addition, studies of the temporal evolution of the films show that the memory effects become stronger after films have been kept on the shelf for a period of time. This change is likely to be associated with a modification of surface anchoring properties at the LC-polymer interface.

Development of Stick and Ball Sports on Gateball

Directory of Open Access Journals (Sweden)

Indriyanti

2017-10-01

Full Text Available The purpose of this research is to make product design development of stick and ball sports in gateball. The approach used in this study is a method of Research and Development. The subject of this research is the Central Java on gateball club event gateball in Semarang and Yogyakarta. Experts and expert expert gateball expert in mechanical engineering. The data analysis phase the work field, and the data analysis stage include observation, observation, interviews, and documentation of the test kefektifan products, expert judgment expert expert gateball and expert mechanical engineering expert. The results of this research are stick and ball exercise for beginner players gateball gateball. The result of the validator 3 expert expert from the expert gateball and expert mechanical engineering product validation data beginning the first phase obtained a score above 73 definitions of the criteria of “good”, on the second stage of the product validation data obtained a score above the 81 criteria for “excellent”. The results of the interviews to the development of gateball players 19 stick and ball gateball can not be used to play in a match and can be used for subsequent exercises but for beginners a product development tool model stick and ball gateball “ INC. “can be used to enhance the ability of basic techniques in motion game for players, gateball.

Investigation of a Ball Screw Feed Drive System Based on Dynamic Modeling for Motion Control

Directory of Open Access Journals (Sweden)

Yi-Cheng Huang

2017-06-01

Full Text Available This paper examines the frequency response relationship between the ball screw nut preload, ball screw torsional stiffness variations and table mass effect for a single-axis feed drive system. Identification for the frequency response of an industrial ball screw drive system is very important for the precision motion when the vibration modes of the system are critical for controller design. In this study, there is translation and rotation modes of a ball screw feed drive system when positioning table is actuated by a servo motor. A lumped dynamic model to study the ball nut preload variation and torsional stiffness of the ball screw drive system is derived first. The mathematical modeling and numerical simulation provide the information of peak frequency response as the different levels of ball nut preload, ball screw torsional stiffness and table mass. The trend of increasing preload will indicate the abrupt peak change in frequency response spectrum analysis in some mode shapes. This study provides an approach to investigate the dynamic frequency response of a ball screw drive system, which provides significant information for better control performance when precise motion control is concerned.

High anisotropic NdFeB submicro/nanoflakes prepared by surfactant-assisted ball milling at low temperature

Science.gov (United States)

An, Xiaoxin; Jin, Kunpeng; Abbas, Nadeem; Fang, Qiuli; Wang, Fang; Du, Juan; Xia, Weixing; Yan, Aru; Liu, J. Ping; Zhang, Jian

2017-11-01

Hard magnetic NdFeB submicro/nanoflakes were successfully prepared by surfactant-assisted ball milling at low temperature (SABMLT) by specially using 2-methyl pentane and trioctylamine (TOA) as solvent and surfactant, respectively. Influences of the amount of TOA and milling temperature on the crystal structure, morphology and magnetic performances of the as-prepared NdFeB powders were investigated systematically. There is significant difference on morphology between the NdFeB powders milled at room and low temperature. The NdFeB powders with flaky morphology could be obtained even with a small amount of TOA by SABMLT, which could not be achieved by surfactant-assisted ball milling at room temperature (SABMRT). The better crystallinity, better grain alignment, higher coercivity, larger saturation magnetization and remanence ratio were achieved in the samples prepared by SABMLT. Furthermore, the final NdFeB powders prepared by SABMLT possessed a lower amount of residual TOA than those prepared by SABMRT. It was demonstrated that SABMLT is a promising way to fabricate rare-earth-transition metal nanoflakes with high anisotropy for permanent magnetic materials. The effective method of preparing NdFeB flakes by lowering temperature will be also useful to fabricate flakes of other functional materials.

Crystallization and molecular-replacement studies of the monoclonal antibody mAbR310 specific for the (R)-HNE-modified protein

International Nuclear Information System (INIS)

Ito, Sohei; Tatsuda, Emi; Ishino, Kousuke; Suzuki, Kenichiro; Sakai, Hiroshi; Uchida, Koji

2006-01-01

Antigen-free Fab fragment of mAbR310, which recognizes (R)-HNE modified protein, has been crystallized. Initial phases have been obtained by molecular replacement. 4-Hydroxy-2-nonenal (HNE), a major racemic product of lipid peroxidation, reacts with histidine to form a stable HNE–histidine Michael addition-type adduct possessing three chiral centres in the cyclic hemiacetal structure. Monoclonal antibodies against HNE-modified protein have been widely used for assessing oxidative stress in vitro and in vivo. Here, the purification, crystallization and preliminary crystallographic analysis of a Fab fragment of novel monoclonal antibody R310 (mAbR310), which recognizes (R)-HNE-modified protein, are reported. The Fab fragment of mAbR310 was obtained by digestion with papain, purified and crystallized. Using hanging-drop vapour-diffusion crystallization techniques, crystals of mAbR310 Fab were obtained. The crystal belongs to the monoclinic space group C2 (unit-cell parameters a = 127.04, b = 65.31, c = 64.29 Å, β = 118.88°) and diffracted X-rays to a resolution of 1.84 Å. The asymmetric unit contains one molecule of mAbR310, with a corresponding crystal volume per protein weight of 2.51 Å 3 Da −1 and a solvent content of 51.0%

To What Degree Does Handling Concrete Molecular Models Promote the Ability to Translate and Coordinate between 2D and 3D Molecular Structure Representations? A Case Study with Algerian Students

Science.gov (United States)

Mohamed-Salah, Boukhechem; Alain, Dumon

2016-01-01

This study aims to assess whether the handling of concrete ball-and-stick molecular models promotes translation between diagrammatic representations and a concrete model (or vice versa) and the coordination of the different types of structural representations of a given molecular structure. Forty-one Algerian undergraduate students were requested…

Surface modification of titanium hydride with epoxy resin via microwave-assisted ball milling

International Nuclear Information System (INIS)

Ning, Rong; Chen, Ding; Zhang, Qianxia; Bian, Zhibing; Dai, Haixiong; Zhang, Chi

2014-01-01

Highlights: • TiH 2 was modified with epoxy resin by microwave-assisted ball milling. • The epoxy ring was opened under the coupling effect of microwave and ball milling. • Microwave-assisted ball milling improved the compatibility of TiH 2 with epoxy. - Abstract: Surface modification of titanium hydride with epoxy resin was carried out via microwave-assisted ball milling and the products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), thermo-gravimetry (TG) and Fourier transform infrared spectroscopy (FT-IR). A sedimentation test was performed to investigate the compatibility of the modified nano titanium hydride with the epoxy resin. The results show that the epoxy resin molecules were grafted on the surface of nano titanium hydride particles during the microwave-assisted ball milling process, which led to the improvement of compatibility between the nanoparticles and epoxy resin. According to the FT-IR, the grafting site was likely to be located around the epoxy group due to the fact that the epoxy ring was opened. However, compared with microwave-assisted ball milling, the conventional ball milling could not realize the surface modification, indicating that the coupling effect of mechanical force and microwave played a key role during the process

Visual strategies underpinning the development of visual-motor expertise when hitting a ball

NARCIS (Netherlands)

Sarpeshkar, Vishnu; Abernethy, B.; Mann, D.L.

2017-01-01

It is well known that skilled batters in fast-ball sports do not align their gaze with the ball throughout ball-flight, but instead adopt a unique sequence of eye and head movements that contribute toward their skill. However, much of what we know about visual-motor behavior in hitting is based on

Ball tip method for thoracic pedicle screw placement in patients with adolescent idiopathic scoliosis

International Nuclear Information System (INIS)

Watanabe, Kota; Matsumoto, Morio; Iizuka, Shingo

2008-01-01

The purpose of this study was to evaluate the efficacy of ball tip method for thoracic pedicle screw placements in idiopathic scoliosis patients. 24 patients with adolescent idiopathic scoliosis were included in this study. Conventional method was performed in 12 patients. Ball tip method was performed in 12 patients. Accuracy of the pedicle screw placement was evaluated based on the postoperative CT. In the ball tip method, a probe which was consisted of ball tip with flexible shaft was used. After removing of cortical bone at a starting point, the probe was inserted manually or sometimes with gently tapping by hammer. During the maneuver, the probe will gradually progress into cancellous bone in the pedicle, without perforating cortical bone in the pedicle. Following expansion of the hole by a rigid gear shift probe, screw was placed in the pedicle. 65.1% of screws were located within pedicle in the conventional group and 86.5% in the ball tip group. 5.3% of screws were located out of pedicle within 2 mm in the conventional group and 8.2% in the ball tip group. 15.8% of screws were located out of pedicle beyond 2 mm and 1.8% in the ball tip group. The ball tip method enhanced the accuracy of thoracic pedicle screw placements in adolescent idiopathic scoliosis patients. The ball tip method may be effective for accurate pedicle screw placement in patients with adolescent idiopathic scoliosis. (author)

Ball Bearings Equipped for In Situ Lubrication on Demand

Science.gov (United States)

Marchetti, Mario; Jones, William R., Jr.; Pepper, Stephen V.; Jansen, Mark; Predmore, Roamer

2005-01-01

In situ systems that provide fresh lubricants to ball/race contacts on demand have been developed to prolong the operational lives of ball bearings. These systems were originally intended to be incorporated into ball bearings in mechanisms that are required to operate in outer space for years, in conditions in which lubricants tend to deteriorate and/or evaporate. These systems may also be useful for similarly prolonging bearing lifetimes on Earth. Reservoirs have been among the means used previously to resupply lubricants. Lubricant- resupply reservoirs are bulky and add complexity to bearing assemblies. In addition, such a reservoir cannot be turned on or off as needed: it supplies lubricant continuously, often leading to an excess of lubricant in the bearing. A lubricator of the present type includes a porous ring cartridge attached to the inner or the outer ring of a ball bearing (see Figure 1). Oil is stored in the porous cartridge and is released by heating the cartridge: Because the thermal expansion of the oil exceeds that of the cartridge, heating causes the ejection of some oil. A metal film can be deposited on a face of the cartridge to serve as an electrical-resistance heater. The heater can be activated in response to a measured increase in torque that signals depletion of oil from the bearing/race contacts. Because the oil has low surface tension and readily wets the bearing-ring material, it spreads over the bearing ring and eventually reaches the ball/race contacts. The Marangoni effect (a surface-tension gradient associated with a temperature gradient) is utilized to enhance the desired transfer of lubricant to the ball/race contacts during heating. For a test, a ball bearing designed for use at low speed was assembled without lubricant and equipped with a porous-ring lubricator, the resistance heater of which consumed a power of less than 1 W when triggered on by a torque-measuring device. In the test, a load of 20 lb (.89 N) was applied and the

New Q-ball solutions in gauge-mediation, Affleck-Dine baryogenesis and gravitino dark matter

International Nuclear Information System (INIS)

Doddato, Francesca; McDonald, John

2012-01-01

Affleck-Dine (AD) baryogenesis along a d = 6 flat direction in gauge-mediated supersymmetry-breaking (GMSB) models can produce unstable Q-balls which naturally have field strength similar to the messenger scale. In this case a new kind of Q-ball is formed, intermediate between the gravity-mediated and gauge-mediated types. We study in detail these new Q-ball solutions, showing how their properties interpolate between standard gravity-mediated and gauge-mediated Q-balls as the AD field becomes larger than the messenger scale. It is shown that E/Q for the Q-balls can be greater than the nucleon mass but less than the MSSM-LSP mass, leading to Q-ball decay primarily to Standard Model fermions. More significantly, if E/Q is greater than the MSSM-LSP mass, decaying Q-balls can provide a natural source of non-thermal MSSM-LSPs, which can subsequently decay to gravitino dark matter without violating nucleosynthesis constraints. The model therefore provides a minimal scenario for baryogenesis and gravitino dark matter in the gauge-mediated MSSM, requiring no new fields

Durability Tests of Ball Valve Prototype with Flowmeter Operation

Science.gov (United States)

Rogula, J.; Romanik, G.

2018-02-01

The results of the investigation of the prototypical ball valve are presented in this article. The innovation of the tested valve is a ball with a built-in measuring orifice. The valve has been subjected to durability tests. Leakage under three temperatures: ambient, -30°C and +100°C was analyzed. Sealing elements of the valve were tested for roughness and deviation of shape before and after the cycles of operation. Ball valve operation means cycles of open/close. It was planned to perform 1000 cycles at each temperature condition accordingly. Tests of the valve were performed under gas pressure equal to 10 MPa. The research was carried out under the Operational Program "Intelligent Development" (POIR 01.01.01-00-0013 / 15 "Development of devices for measurement of media flow on industrial trunk-lines".

Geometrical origin of chaoticity in the bouncing ball billiard

International Nuclear Information System (INIS)

Mátyás, L.; Barna, I.F.

2011-01-01

Highlights: ► We study the possible separation of neighouring trajectories in the bouncing ball billiard. ► In a certain interval of frequencies semianalitical evaluations are possible. ► One may find a lower bound for the maximal Lyapunov exponent in case of a resonance. - Abstract: We present a study of the chaotic behaviour of the bouncing ball billiard. The work is realised on the purpose of finding at least certain causes of separation of the neighbouring trajectories. Having in view the geometrical construction of the system, we report a clear origin of chaoticity of the bouncing ball billiard. By this we claim that in case when the floor is made of arc of circles – in a certain interval of frequencies – one can give semi-analytical estimates on chaotic behaviour.

Analysis on Sealing Reliability of Bolted Joint Ball Head Component of Satellite Propulsion System

Science.gov (United States)

Guo, Tao; Fan, Yougao; Gao, Feng; Gu, Shixin; Wang, Wei

2018-01-01

Propulsion system is one of the important subsystems of satellite, and its performance directly affects the service life, attitude control and reliability of the satellite. The Paper analyzes the sealing principle of bolted joint ball head component of satellite propulsion system and discuss from the compatibility of hydrazine anhydrous and bolted joint ball head component, influence of ground environment on the sealing performance of bolted joint ball heads, and material failure caused by environment, showing that the sealing reliability of bolted joint ball head component is good and the influence of above three aspects on sealing of bolted joint ball head component can be ignored.

Predicting Crystallization of Amorphous Drugs with Terahertz Spectroscopy

DEFF Research Database (Denmark)

Sibik, Juraj; Löbmann, Korbinian; Rades, Thomas

2015-01-01

of the crystallization. We determine the onset temperature Tβ above which the JG relaxation contributes to the fast molecular dynamics and analytically quantify the level of this contribution. We then show there is a strong correlation between the increase in the fast molecular dynamics and onset of crystallization...

Noninvasive medical management of fungus ball uropathy in a premature infant.

Science.gov (United States)

Alkalay, A L; Srugo, I; Blifeld, C; Komaiko, M S; Pomerance, J J

1991-09-01

Unilateral renal obstruction secondary to fungus balls is described in a premature infant. Noninvasive medical management, which included amphotericin B and 5-flucytosine therapy and forced diuresis, resulted in disappearance of fungus balls and resolution of the obstruction.

Plasma balls in large-N gauge theories and localized black holes

International Nuclear Information System (INIS)

Aharony, Ofer; Minwalla, Shiraz; Wiseman, Toby

2006-01-01

We argue for the existence of plasma balls-metastable, nearly homogeneous lumps of gluon plasma at just above the deconfinement energy density-in a class of large-N confining gauge theories that undergo first-order deconfinement transitions. Plasma balls decay over a time scale of order N 2 by thermally radiating hadrons at the deconfinement temperature. In gauge theories that have a dual description that is well approximated by a theory of gravity in a warped geometry, we propose that plasma balls map to a family of classically stable finite-energy black holes localized in the IR. We present a conjecture for the qualitative nature of large-mass black holes in such backgrounds and numerically construct these black holes in a particular class of warped geometries. These black holes have novel properties; in particular, their temperature approaches a nonzero constant value at large mass. Black holes dual to plasma balls shrink as they decay by Hawking radiation; towards the end of this process, they resemble ten-dimensional Schwarzschild black holes, which we propose are dual to small plasma balls. Our work may find practical applications in the study of the physics of localized black holes from a dual viewpoint

Mechanically Induced Graphite-Nanodiamonds-Phase Transformations During High-Energy Ball Milling

Science.gov (United States)

El-Eskandarany, M. Sherif

2017-05-01

Due to their unusual mechanical, chemical, physical, optical, and biological properties, nearly spherical-like nanodiamonds have received much attention as desirable advanced nanomaterials for use in a wide spectrum of applications. Although, nanodiamonds can be successfully synthesized by several approaches, applications of high temperature and/or high pressure may restrict the real applications of such strategic nanomaterials. Distinct from the current preparation approaches used for nanodiamonds preparation, here we show a new process for preparing ultrafine nanodiamonds (3-5 nm) embedded in a homogeneous amorphous-carbon matrix. Our process started from high-energy ball milling of commercial graphite powders at ambient temperature under normal atmospheric helium gas pressure. The results have demonstrated graphite-single wall carbon nanotubes-amorphous-carbon-nanodiamonds phase transformations carried out through three subsequent stages of ball milling. Based on XRD and RAMAN analyses, the percentage of nanodiamond phase + C60 (crystalline phase) produced by ball milling was approximately 81%, while the amorphous phase amount was 19%. The pressure generated on the powder together the with temperature increase upon the ball-powder-ball collision is responsible for the phase transformations occurring in graphite powders.

RadBall Technology Testing and MCNP Modeling of the Tungsten Collimator.

Science.gov (United States)

Farfán, Eduardo B; Foley, Trevor Q; Coleman, J Rusty; Jannik, G Timothy; Holmes, Christopher J; Oldham, Mark; Adamovics, John; Stanley, Steven J

2010-01-01

The United Kingdom's National Nuclear Laboratory (NNL) has developed a remote, non-electrical, radiation-mapping device known as RadBall(™), which can locate and quantify radioactive hazards within contaminated areas of the nuclear industry. RadBall(™) consists of a colander-like outer shell that houses a radiation-sensitive polymer sphere. The outer shell works to collimate radiation sources and those areas of the polymer sphere that are exposed react, becoming increasingly more opaque, in proportion to the absorbed dose. The polymer sphere is imaged in an optical-CT scanner, which produces a high resolution 3D map of optical attenuation coefficients. Subsequent analysis of the optical attenuation matrix provides information on the spatial distribution of sources in a given area forming a 3D characterization of the area of interest. RadBall(™) has no power requirements and can be positioned in tight or hard-to reach locations. The RadBall(™) technology has been deployed in a number of technology trials in nuclear waste reprocessing plants at Sellafield in the United Kingdom and facilities of the Savannah River National Laboratory (SRNL). This study focuses on the RadBall(™) testing and modeling accomplished at SRNL.

Characterization of ion Coulomb crystals in a linear Paul trap

International Nuclear Information System (INIS)

Okada, K.; Takayanagi, T.; Wada, M.; Ohtani, S.; Schuessler, H. A.

2010-01-01

We describe a simple and fast method for simulating observed images of ion Coulomb crystals. In doing so, cold elastic collisions between Coulomb crystals and virtual very light atoms are implemented in a molecular dynamics (MD) simulation code. Such an approach reproduces the observed images of Coulomb crystals by obtaining density plots of the statistics of existence of each ion. The simple method has the advantage of short computing time in comparison with previous calculation methods. As a demonstration of the simulation, the formation of a planar Coulomb crystal with a small number of ions has been investigated in detail in a linear ion trap both experimentally and by simulation. However, also large Coulomb crystals including up to 1400 ions have been photographed and simulated to extract the secular temperature and the number of ions. For medium-sized crystals, a comparison between experiments and calculations has been performed. Moreover, an MD simulation of the sympathetic cooling of small molecular ions was performed in order to test the possibility of extracting the temperature and the number of refrigerated molecular ions from crystal images of laser-cooled ions. Such information is basic to studying ultracold ion-molecule reactions using ion Coulomb crystals including sympathetically cooled molecular ions.

Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement

International Nuclear Information System (INIS)

Dahms, Sven O.; Kuester, Miriam; Streb, Carsten; Roth, Christian; Sträter, Norbert; Than, Manuel E.

2013-01-01

A new approach is presented that allows the efficient localization and orientation of heavy-atom cluster compounds used in experimental phasing by a molecular replacement procedure. This permits the calculation of meaningful phases up to the highest resolution of the diffraction data. Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradecabromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome

A ball diameter-measuring instrument in a gauge block interferometer

NARCIS (Netherlands)

Kotte, G.J.W.L.; Haitjema, H.; Decker, J.E.; Brown, N.

1998-01-01

An instrument for the measurement of ball diameters in the 0.5-20 mm range in a gauge block interferometer is realized. The measurement principle is that the ball is positioned between an optical flat and a calibrated gauge block. The total length is measured in a gauge block relative to the optical

DIFFERENCES IN TECHNICAL MOVEMENT PRECISION WITH BALL TO NEW AGES SOCCER PLAYERS

Directory of Open Access Journals (Sweden)

Sami Sermaxhaj

2015-05-01

Full Text Available The primary goal of this research is to compare the accuracy of the collision of the ball to players of both age groups U-17 and U-19. The research was conducted on a sample of 100 young soccer players Kosovo divided into two groups: the first group comprised of 50 young players U17 and second group comprised of 50 young soccer players U-19. To assess the precision of the attack on the ball all the players they have subjected technical demonstration testing in four tests: (T-JUGGL, T-PASI, T-KROS, T-SHOOT. Through T-test method are proven differences in favor of players U-19 to U-17 in all tests of precision technical movements with the ball, but statistically significant differences are shown in the collision test at the gateway (T-SHOOT and the test ball juggling (T-JUGGL . The results obtained show us that more experienced players U-19 have a better precision in demonstrating the technical movements with the ball, compared to U-17 players. Assuming that the training process is very important to voice learning, mastering demonstration, acquisition, and precise technical movements with the ball, because the precision peak levels is very significant.

Study of Complexities in Bouncing Ball Dynamical System

Directory of Open Access Journals (Sweden)

Lal Mohan SAHA

2016-04-01

Full Text Available Evolutionary motions in a bouncing ball system consisting of a ball having a free fall in the Earth’s gravitational field have been studied systematically. Because of nonlinear form of the equations of motion, evolutions show chaos for certain set of parameters for certain initial conditions. Bifurcation diagram has been drawn to study regular and chaotic behavior. Numerical calculations have been performed to calculate Lyapunov exponents, topological entropies and correlation dimension as measures of complexity. Numerical results are shown through interesting graphics.

Crystallization of carbohydrate oxidase from Microdochium nivale

International Nuclear Information System (INIS)

Dušková, Jarmila; Dohnálek, Jan; Skálová, Tereza; Østergaard, Lars Henrik; Fuglsang, Claus Crone; Kolenko, Petr; Štěpánková, Andrea; Hašek, Jindřich

2009-01-01

Industrially used carbohydrate oxidase was successfully crystallized in several forms, diffraction data suitable for structural analysis were collected. Microdochium nivale carbohydrate oxidase was produced by heterologous recombinant expression in Aspergillus oryzae, purified and crystallized. The enzyme crystallizes with varying crystal morphologies depending on the crystallization conditions. Several different crystal forms were obtained using the hanging-drop vapour-diffusion method, two of which were used for diffraction measurements. Hexagon-shaped crystals (form I) diffracted to 2.66 Å resolution, with unit-cell parameters a = b = 55.7, c = 610.4 Å and apparent space group P6 2 22. Analysis of the data quality showed almost perfect twinning of the crystals. Attempts to solve the structure by molecular replacement did not give satisfactory results. Recently, clusters of rod-shaped crystals (form II) were grown in a solution containing PEG MME 550. These crystals belonged to the monoclinic system C2, with unit-cell parameters a = 132.9, b = 56.6, c = 86.5 Å, β = 95.7°. Data sets were collected to a resolution of 2.4 Å. The structure was solved by the molecular-replacement method. Model refinement is currently in progress

Patient satisfaction of tooth supported overdentures utilizing ball attachments

OpenAIRE

Nassar, Hossam I.

2016-01-01

Statement of problem: Teeth retained overdenture therapy is an alternative treatment rarely used in cases with few remaining teeth. Purpose: The aim of this study was to evaluate the patient satisfaction associated with teeth retained maxillary and mandibular overdentures utilizing ready made ball attachment. Materials and methods: Thirty patients treated with teeth retained overdenture utilizing ready made ball attachment. Participants completed a series of questionnaires (OHIP-14 ques...

Hydroamination reactions of alkynes with ortho-substituted anilines in ball mills: synthesis of benzannulated N-heterocycles by a cascade reaction.

Science.gov (United States)

Weiße, Maik; Zille, Markus; Jacob, Katharina; Schmidt, Robert; Stolle, Achim

2015-04-20

It was demonstrated that ortho-substituted anilines are prone to undergo hydroamination reactions with diethyl acetylenedicarboxylate in a planetary ball mill. A sequential coupling of the intermolecular hydroamination reaction with intramolecular ring closure was utilized for the syntheses of benzooxazines, quinoxalines, and benzothiazines from readily available building blocks, that is, electrophilic alkynes and anilines with OH, NH, or SH groups in the ortho position. For the heterocycle formation, it was shown that several stress conditions were able to initiate the reaction in the solid state. Processing in a ball mill seemed to be advantageous over comminution with mortar and pestle with respect to process control. In the latter case, significant postreaction modification occurred during solid-state analysis. Cryogenic milling proved to have an adverse effect on the molecular transformation of the reagents. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Introduction to crystal growth and characterization

CERN Document Server

Benz, Klaus-Werner

2014-01-01

This new textbook provides for the first time a comprehensive treatment of the basics of contemporary crystallography and crystal growth in a single volume. The reader will be familiarized with the concepts for the description of morphological and structural symmetry of crystals. The architecture of crystal structures of selected inorganic and molecular crystals is illustrated. The main crystallographic databases as data sources of crystal structures are described. Nucleation processes, their kinetics and main growth mechanism will be introduced in fundamentals of crystal growth. Some phase d

A new ball launching system with controlled flight parameters for catching experiments.

Science.gov (United States)

d'Avella, A; Cesqui, B; Portone, A; Lacquaniti, F

2011-03-30

Systematic investigations of sensorimotor control of interceptive actions in naturalistic conditions, such as catching or hitting a ball moving in three-dimensional space, requires precise control of the projectile flight parameters and of the associated visual stimuli. Such control is challenging when air drag cannot be neglected because the mapping of launch parameters into flight parameters cannot be computed analytically. We designed, calibrated, and experimentally validated an actuated launching apparatus that can control the average spatial position and flight duration of a ball at a given distance from a fixed launch location. The apparatus was constructed by mounting a ball launching machine with adjustable delivery speed on an actuated structure capable of changing the spatial orientation of the launch axis while projecting balls through a hole in a screen hiding the apparatus. The calibration procedure relied on tracking the balls with a motion capture system and on approximating the mapping of launch parameters into flight parameters by means of polynomials functions. Polynomials were also used to estimate the variability of the flight parameters. The coefficients of these polynomials were obtained using the launch and flight parameters of 660 launches with 65 different initial conditions. The relative accuracy and precision of the apparatus were larger than 98% for flight times and larger than 96% for ball heights at a distance of 6m from the screen. Such novel apparatus, by reliably and automatically controlling desired ball flight characteristics without neglecting air drag, allows for a systematic investigation of naturalistic interceptive tasks. Copyright © 2011 Elsevier B.V. All rights reserved.

Kinase inhibition by the Jamaican ball moss, Tillandsia recurvata L.

Science.gov (United States)

Lowe, Henry I C; Watson, Charah T; Badal, Simone; Toyang, Ngeh J; Bryant, Joseph

2012-10-01

This research was undertaken in order to investigate the inhibitory potential of the Jamaican ball moss, Tillandsia recurvata against several kinases. The inhibition of these kinases has emerged as a potential solution to restoring the tight regulation of normal cellular growth, the loss of which leads to cancer cell formation. Kinase inhibition was investigated using competition binding (to the ATP sites) assays, which have been previously established and authenticated. Four hundred and fifty one kinases were tested against the Jamaican ball moss extract and a dose-response was tested on 40 kinases, which were inhibited by more than 35% compared to the control. Out of the 40 kinases, the Jamaican ball moss selectively inhibited 5 (CSNK2A2, MEK5, GAK, FLT and DRAK1) and obtained Kd(50)s were below 20 μg/ml. Since MEK5 and GAK kinases have been associated with aggressive prostate cancer, the inhibitory properties of the ball moss against them, coupled with its previously found bioactivity towards the PC-3 cell line, makes it promising in the arena of drug discovery towards prostate cancer.

Acoustic monitoring of a ball sinking in vibrated granular sediments

Science.gov (United States)

van den Wildenberg, Siet; Léopoldès, Julien; Tourin, Arnaud; Jia, Xiaoping

2017-06-01

We develop an ultrasound probing to investigate the dynamics of a high density ball sinking in 3D opaque dense granular suspensions under horizontal weak vibrations. We show that the motion of the ball in these horizontally vibrated glass bead packings saturated by water is consistent with the frictional rheology. The extracted stress-strain relation evidences an evolution of flow behaviour from frictional creep to inertial regimes. Our main finding is that weak external vibration primarily affects the yield stress and controls the depth of sinking via vibration-induced sliding at the grain contact. Also, we observe that the extracted rheological parameters depend on the size of the probing ball, suggesting thus a non-local rheology.

Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

Science.gov (United States)

Bukkuru, S.; Bhardwaj, U.; Warrier, M.; Rao, A. D. P.; Valsakumar, M. C.

2017-02-01

Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values "r" to the lattice constant "a" lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods.

Reduced graphene oxide synthesis by high energy ball milling

Energy Technology Data Exchange (ETDEWEB)

Mondal, O. [Department of Physics, M.U.C Women' s College, Burdwan 713104 (India); Mitra, S. [MLS Prof' s Unit, Indian Association for the Cultivation of Science, Kolkata 700032 (India); Pal, M. [CSIR-Central Glass and Ceramic Research Institute, Kolkata 700032 (India); Datta, A. [University School of Basic and Applied Science (USBAS), Guru Gobind Singh Indraprastha University, New Delhi 110075 (India); Dhara, S. [Surface and Nanoscience Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India); Chakravorty, D., E-mail: mlsdc@iacs.res.in [MLS Prof' s Unit, Indian Association for the Cultivation of Science, Kolkata 700032 (India)

2015-07-01

Graphene oxide is transformed to reduced graphene oxide by high energy ball milling in inert atmosphere. The process of ball milling introduces defects and removes oxygen functional groups, thereby creating the possibility of fine tuning the band gap of all intermediate stages of the structural evolution. A limit of the backbone sp{sup 2} network structure has been found which should be able to accommodate defects, before amorphization sets in. The amorphization of graphene oxide is achieved rather quickly in comparison to that of graphite. From thermogravimetric and differential scanning calorimetric analysis along with Fourier transform infrared (FTIR) and Raman spectroscopic studies, it is found that the number of oxygen-containing groups decreases at a faster rate than that of aromatic double bonds with increasing ball milling time with a maximum limit of 3 h. Several characterization techniques (FTIR, Raman, UV–Visible and X-ray photoelectron spectroscopy) have confirmed that the material synthesized is, indeed, reduced graphene oxide. - Highlights: • Graphene oxide is transformed to reduced graphene oxide by high energy ball milling in inert atmosphere. • Fine tuning the band gap by introducing defects and removing oxygen functional groups. • Introduction of excess defects leads to amorphization. • Photoluminescence has been observed in the UV-blue region.

Effect of process variables on synthesis of MgB2 by a high energy ball mill

Directory of Open Access Journals (Sweden)

Kurama Haldun

2016-01-01

Full Text Available The discovery of superconductivity of MgB2 in 2001, with a critical temperature of 39 K, offered the promise of important large-scale applications at around 20 K. Except than the other featured synthesis methods, mechanical activation performed by high energy ball mills, as bulk form synthesis or as a first step of wire and thin film productions, has considered as an effective alternative production route in recent years. The process of mechanical activation (MA starts with mixing the powders in the right proportion and loading the powder mixture into the mill with the grinding media. The milled powder is then consolidated into a bulk shape and heat-treated to obtain desired microstructure and properties. Thus, the important components of the MA process are the raw materials, mill type and process variables. During the MA process, heavy deformation of particles occure. This is manifested by the presence of a variety of crystal defects such as dislocations, vacancies, stacking faults and increased number of particle boundaries. The presence of this defect structure enhances the diffusivity of solute hence the critical currents and magnetic flux pinning ability of MgB2 are improved. The aim of the present study is to determine the effects of process variables such as ball-to-powder mass ratio, size of balls, milling time, annealing temperature and contribution of process control agent (toluene on the product size, morphology and conversion level of precursor powders to MgB2 after subsequent heat treatment. The morphological analyses of the samples were performed by a high vacuum electron microscope ZEISS SUPRA VP 50. The phase compositions of the samples were performed with an Rigaku-Rint 2200 diffractometer, with nickel filtered Cu Kα radiation and conversion level. The MgB2 phase wt % was calculated by the Rietveld refinement method. The obtained results were discussed according to the process variables to find out their affect on the structure

Fabrication and Study of Micro Monolithic Tungsten Ball Tips for Micro/Nano-CMM Probes

Directory of Open Access Journals (Sweden)

Ruijun Li

2018-03-01

Full Text Available Micro ball tips with high precision, small diameter, and high stiffness stems are required to measure microstructures with high aspect ratio. Existing ball tips cannot meet such demands because of their weak qualities. This study used an arc-discharge melting method to fabricate a micro monolithic tungsten ball tip on a tungsten stylus. The principles of arc discharge and surface tension phenomenon were introduced. The experimental setup was designed and established. Appropriate process parameters, such as impulse voltage, electro discharge time, and discharge gap were determined. Experimental results showed that a ball tip of approximately 60 µm in diameter with less than 0.6 µm roundness error and 0.6 µm center offset could be realized on a 100 µm-diameter tungsten wire. The fabricated micro ball tip was installed on a homemade probe, touched by high-precision gauge blocks in different directions. A repeatability of 41 nm (K = 2 was obtained. Several interesting phenomena in the ball-forming process were also discussed. The proposed method could be used to fabricate a monolithic probe ball tip, which is necessary for measuring microstructures.

A Tsunami Ball Approach to Storm Surge and Inundation: Application to Hurricane Katrina, 2005

Directory of Open Access Journals (Sweden)

Steven N. Ward

2009-01-01

Full Text Available Most analyses of storm surge and inundation solve equations of continuity and momentum on fixed finite-difference/finite-element meshes. I develop a completely new approach that uses a momentum equation to accelerate bits or balls of water over variable depth topography. The thickness of the water column at any point equals the volume density of balls there. In addition to being more intuitive than traditional methods, the tsunami ball approach has several advantages. (a By tracking water balls of fixed volume, the continuity equation is satisfied automatically and the advection term in the momentum equation becomes unnecessary. (b The procedure is meshless in the finite-difference/finite-element sense. (c Tsunami balls care little if they find themselves in the ocean or inundating land. (d Tsunami ball calculations of storm surge can be done on a laptop computer. I demonstrate and calibrate the method by simulating storm surge and inundation around New Orleans, Louisiana caused by Hurricane Katrina in 2005 and by comparing model predictions with field observations. To illustrate the flexibility of the tsunami ball technique, I run two “What If” hurricane scenarios—Katrina over Savannah, Georgia and Katrina over Cape Cod, Massachusetts.

Solid lubricant mass contact transfer technology usage for vacuum ball bearings longevity increasing

Science.gov (United States)

Arzymatov, B.; Deulin, E.

2016-07-01

A contact mass transfer technological method of solid lubricant deposition on components of vacuum ball bearings is presented. Physics-mathematical model of process contact mass transfer is being considered. The experimental results of ball bearings covered with solid lubricant longevity in vacuum are presented. It is shown that solid lubricant of contact mass transfer method deposition is prospective for ball bearing longevity increasing.

Analisis Perbandingan Experiential Value antara Hong Tang dan Black Ball serta Hubungannya dengan Customer Satisfaction

Directory of Open Access Journals (Sweden)

Annetta Gunawan

2014-11-01

Full Text Available Black Ball and Hong Tang are two pioneers of Taiwanese dessert sellers in Jakarta. Both of them have product offering characteristics that are alike and have the same target market. From the initial observation, the researcher found that even though Black Ball has more outlets than Hong Tang, but Black Ball seems to be less popular than Hong Tang. The consumers’ preferences are varied, there are some consumers prefer Hong Tang, but there are also those who choose Black Ball, because of the food quality, the service provided, and also the experiences they get during the consumption process. Therefore, both Black Ball and Hong Tang have to consider about the experiential value to be offered to their customers, in order to increase their customer satisfaction, so that they can sustainably survive in the midst of challenging competition. The objectives of this research are to examine whether there is any difference of experiential value dimensions and customer satisfaction between Hong Tang and Black Ball and to examine the relationship between experiential value dimensions and customer satisfaction of Hong Tang and Black Ball. The result of this research concludes that there is no difference of all experiential value dimensions and customer satisfaction between Hong Tang and Black Ball and there is a strong and significant relationship between all experiential value dimensions and customer satisfaction of Hong Tang and Black Ball.

Strong dielectric liquid crystal polymer (Part 3)

Energy Technology Data Exchange (ETDEWEB)

Kurata, Hideaki; Shibasaki, Akira

1988-11-01

Influence of change of molecular parameters on liquid crystal condition is studied to get the correlation between molecular structure of liquid crystal and phase structure or visco-elastic properties. Eight kinds of biphenyl type liquid crystals with polyacrilate main chain and triphenyl type liquid crystals were used as samples. Followings were found by a ploarizing microscope and X-ray diffraction: Phases are transferred from isotropic phase S/sub A/ phase S/sup *//sub C/ phase S/sub 1/ phase to solid on temperature desending sequence. Degree of polymerization changes only these transfer point but spacer length affects not only transfer points and layer distance but also liquid crystal structure itself. Visco-elasticity of isotropic phase shows Newtonian viscosity and is affected by the main chain length. Macroscopic and microscopic structures influence on viscoelasticity in S/sub A/ phase and S/sup *//sub C/ phase. Two rapid rises of viscoelasticity are found in low molecular weight liquid crystal when S/sub A/ transfer and S/sub A/ to S/sup *//sub C/ transfer occur by temperature desending from the isotropic phase. Viscoelastic behavior is contributed by the properties of domain itself and interaction between domains, and the interaction is changed by polymerization. 6 references, 13 figures, 1 table.

Optimum condition determination of Rirang uranium ores grinding using ball mill

International Nuclear Information System (INIS)

Affandi, Kosim; Waluyo, Sugeng; Sarono, Budi; Sujono; Muhammad

2002-01-01

The grinding experiment on Rirang Uranium ore has been carried out with the aim is to find out the optimum condition of wet grinding using ball mill to produce particle size -325, -200 and -100 mesh. This will be used for decomposition feed the test was done by examine the parameters comparison of ore's weight against ball's weight and time of grinding. The test shown that the product of particle size -325 meshes was achieved optimum condition at the comparison ore's weight: ball = 1:3, grinding time 150 minutes, % solid 60, speed rotation of ball mill 60 rpm and recovery of grinding was 93.51 % of -325 mesh. The product of particle size -200 mesh was achieved optimum condition at comparison ore's weight: ball = 1:2, time of grinding 60 minutes, the fraction of + 200 mesh was regrind, the recovery of grinding 6.82% at particle size of (-200 + 250) mesh, 5.75 % at (-250 + 325)m mesh and, 47.93 % -325 mesh. The product of particle size -100 mesh was achieved the optimum condition at comparison ore's weight: ball = 1:2, time of grinding at 30 minutes particle size +100 mesh regrinding using mortar grinder, recovery of grinding 30.10% at particle size (-100 + 150) m, 12.28 % at (-150 + 200) mesh, 15.92 % at (-200 + 250) mesh, 12.44 % at (-250 + 325) mesh and 29.26 % -325 mesh. The determination of specific gravity of Rirang uranium ore was between 4.15 - 4.55 g/cm 3

Kicking velocity and effect on match performance when using a smaller, lighter ball in women's football

DEFF Research Database (Denmark)

Andersen, Thomas B.; Krustrup, Peter; Bendiksen, Mads

2016-01-01

The present study evaluated the effect of a smaller, lighter ball on kicking speed and technical-tactical and physical match performance in high-level adult female footballers. In the laboratory test setting, the peak ball velocity was 6% higher with the new ball (NB) than the standard ball (SB...

Ball lightning. What nature is trying to tell the plasma research community

International Nuclear Information System (INIS)

Roth, J.R.

1995-01-01

Ball lightning has been extensively observed in atmospheric air, usually in association with thunderstorms, by untrained observers who were not in a position to make careful observations. These chance sightings have been documented by polling observers, who constitute perhaps 5% of the adult U.S. population. Unfortunately, ball lightning is not accessible to scientific analysis because it cannot be reproduced in the laboratory under controlled conditions. Natural ball lightning has been observed to last longer than 90 s and to have diameters from 1 cm to several meters. The energy density of a few lightning balls has been observed to be as high as 20000 J/cm 3 , well above the limit of chemical energy storage of, for example, TNT at 2000 J/cm 3 . Such observations suggest a plasma-related phenomenon with significant magnetic energy storage. If this is the case, ball lightning should have very interesting implications for fusion research, industrial plasma engineering, and military applications, as well as being of great theoretical and practical interest to the plasma research community. 20 refs., 15 figs., 2 tabs

Formation Mechanism and Characteristics Research of Ball Lightning Based on Vortex Model

International Nuclear Information System (INIS)

Li Zicheng; Yang Guohua

2011-01-01

The strange characteristics of ball lightning are considered as a question hard to explain. In order to solve the problem, in this paper a complete model of plasma vortex is presented for the ball lightning. By ideal MHD equations, through imposing disturbance to plasma column, the possibility of sausage and kink instability of the lightning channel is analyzed from the perspective the minimum potential energy. The conclusion is that the kink instability (m = 1) is most prone to occur. And when instability occurs, because of the difference of the magnetic field in the twisted area, the magnetic pressure makes the trend further and therefore forming the plasma vortex that may eventually turn into ball lightning if the energy of the vortex is large enough. The existence of the vortex makes ball lightning have a short period of time stability. By the proposed model, the ball lightning features that are hard to understand in the past are explained. In this paper, the reason for bead lightning is also explained from the perspective of the sausage instability. (physics of gases, plasmas, and electric discharges)

Simulation of Trajectories of Tar Ball Transport to the Goa Coast

Digital Repository Service at National Institute of Oceanography (India)

Suneel, V.; Vethamony, P.; VinodKumar, K.; Babu, M.T.; Prasad, V.S.R.

Arrival of tar balls to the Goa coast during pre- and southwest monsoon seasons has been a regular phenomenon in the past few years. In one such event, we observed tar ball deposits along the Goa coast during August 2010, April 2011 and May 2011...

Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

International Nuclear Information System (INIS)

Bukkuru, S.; Bhardwaj, U.; Warrier, M.; Rao, A.D.P.; Valsakumar, M.C.

2017-01-01

Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values “r” to the lattice constant “a” lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods. - Highlights: • Max-Space Clustering (MSC) method is developed to identify interstitials in crystals. • MSC provides a structured way to identify the temperature dependent cut-off radius. • It is compared with widely used sphere methods and found to be better. • MSC coupled with graph tree optimization can be used to obtain diffusion trajectory. • Cascade simulations of Fe, W are carried out and results are compared with various methods.

Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Bukkuru, S., E-mail: srinivasaraobukkuru@gmail.com [Dept. of Nuclear Physics, Andhra University, Visakhapatnam 530003 (India); Bhardwaj, U., E-mail: haptork@gmail.com [Computational Analysis Division, BARC, Visakhapatnam 530012, Andhra Pradesh (India); Warrier, M., E-mail: manoj.warrier@gmail.com [Computational Analysis Division, BARC, Visakhapatnam 530012, Andhra Pradesh (India); Rao, A.D.P., E-mail: adp_rao_99@yahoo.com [Dept. of Nuclear Physics, Andhra University, Visakhapatnam 530003 (India); Valsakumar, M.C., E-mail: mc.valsakumar@gmail.com [IIT Palakkad, Kozhippara P.O., Palakkad 678557, Kerala (India)

2017-02-15

Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values “r” to the lattice constant “a” lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods. - Highlights: • Max-Space Clustering (MSC) method is developed to identify interstitials in crystals. • MSC provides a structured way to identify the temperature dependent cut-off radius. • It is compared with widely used sphere methods and found to be better. • MSC coupled with graph tree optimization can be used to obtain diffusion trajectory. • Cascade simulations of Fe, W are carried out and results are compared with various methods.

Development of Nanostructured Water Treatment Membranes Based on Thermotropic Liquid Crystals: Molecular Design of Sub-Nanoporous Materials.

Science.gov (United States)

Sakamoto, Takeshi; Ogawa, Takafumi; Nada, Hiroki; Nakatsuji, Koji; Mitani, Masato; Soberats, Bartolome; Kawata, Ken; Yoshio, Masafumi; Tomioka, Hiroki; Sasaki, Takao; Kimura, Masahiro; Henmi, Masahiro; Kato, Takashi

2018-01-01

Supply of safe fresh water is currently one of the most important global issues. Membranes technologies are essential to treat water efficiently with low costs and energy consumption. Here, the development of self-organized nanostructured water treatment membranes based on ionic liquid crystals composed of ammonium, imidazolium, and pyridinium moieties is reported. Membranes with preserved 1D or 3D self-organized sub-nanopores are obtained by photopolymerization of ionic columnar or bicontinuous cubic liquid crystals. These membranes show salt rejection ability, ion selectivity, and excellent water permeability. The relationships between the structures and the transport properties of water molecules and ionic solutes in the sub-nanopores in the membranes are examined by molecular dynamics simulations. The results suggest that the volume of vacant space in the nanochannel greatly affects the water and ion permeability.

Molecular and crystal structure of the antibiotic enniatin B, a secondary microbial metabolite

International Nuclear Information System (INIS)

Zhukhlistova, N.E.; Tishchenko, G.N.; Tolstykh, I.V.; Zenkova, V.A.

1999-01-01

Single crystals of the secondary microbial metabolite C 33 H 57 N 3 O 9 ·1(2/3)H 2 O with the known molecular weight were studied by the method of X-ray diffraction analysis, where a=b=15.102(3) A, c=14.548(3) A, sp. gr.R3, R=0.057. In the course of the structure determination, it was established that the substance is a natural antibiotic, namely, enniatin B. The conformation of its molecule is similar to that of the known synthetic antibiotic. The main difference between the natural and synthesized forms reduces to the different numbers of water molecules and their arrangement in the cavity of the antibiotic molecule

A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

Science.gov (United States)

Hoheisel, Tobias N.; Schrettl, Stephen; Marty, Roman; Todorova, Tanya K.; Corminboeuf, Clémence; Sienkiewicz, Andrzej; Scopelliti, Rosario; Schweizer, W. Bernd; Frauenrath, Holger

2013-04-01

Packing constraints and precise placement of functional groups are the reason that organic molecules in the crystalline state often display unusual physical or chemical properties not observed in solution. Here we report a single-crystal-to-single-crystal dimerization of a bromodiacetylene that involves unusually large atom displacements as well as the cleavage and formation of several bonds. Density functional theory computations support a mechanism in which the dimerization is initiated by a [2 + 1] photocycloaddition favoured by the nature of carbon-carbon short contacts in the crystal structure. The reaction proceeded up to the theoretical degree of conversion without loss of crystallinity, and it was also performed on a preparative scale with good yield. Moreover, it represents the first synthetic pathway to (E)-1,2-dibromo-1,2-diethynylethenes, which could serve as synthetic intermediates for the preparation of molecular carbon scaffolds. Our findings both extend the scope of single-crystal-to-single-crystal reactions and highlight their potential as a synthetic tool for complex transformations.

Intercepting virtual balls approaching under different gravity conditions: evidence for spatial prediction.

Science.gov (United States)

Russo, Marta; Cesqui, Benedetta; La Scaleia, Barbara; Ceccarelli, Francesca; Maselli, Antonella; Moscatelli, Alessandro; Zago, Myrka; Lacquaniti, Francesco; d'Avella, Andrea

2017-10-01

To accurately time motor responses when intercepting falling balls we rely on an internal model of gravity. However, whether and how such a model is also used to estimate the spatial location of interception is still an open question. Here we addressed this issue by asking 25 participants to intercept balls projected from a fixed location 6 m in front of them and approaching along trajectories with different arrival locations, flight durations, and gravity accelerations (0 g and 1 g ). The trajectories were displayed in an immersive virtual reality system with a wide field of view. Participants intercepted approaching balls with a racket, and they were free to choose the time and place of interception. We found that participants often achieved a better performance with 1 g than 0 g balls. Moreover, the interception points were distributed along the direction of a 1 g path for both 1 g and 0 g balls. In the latter case, interceptions tended to cluster on the upper half of the racket, indicating that participants aimed at a lower position than the actual 0 g path. These results suggest that an internal model of gravity was probably used in predicting the interception locations. However, we found that the difference in performance between 1 g and 0 g balls was modulated by flight duration, the difference being larger for faster balls. In addition, the number of peaks in the hand speed profiles increased with flight duration, suggesting that visual information was used to adjust the motor response, correcting the prediction to some extent. NEW & NOTEWORTHY Here we show that an internal model of gravity plays a key role in predicting where to intercept a fast-moving target. Participants also assumed an accelerated motion when intercepting balls approaching in a virtual environment at constant velocity. We also show that the role of visual information in guiding interceptive movement increases when more time is available. Copyright © 2017 the American Physiological

The dialogue between data and model: passive stability and relaxation behavior in a ball bouncing task

NARCIS (Netherlands)

Dijkstra, T.M.H.; Katsumata, H.; Rugy, A. de; Sternad, D.

2004-01-01

We investigate the skill of rhythmically bouncing a ball on a racket with a focus on the mathematical modeling of the stability of performance. As a first step we derive the deterministic ball bouncing map as a Poincar´e section of a sinusoidally driven bouncing ball. Subsequently, we show the ball

The correct "ball bearings" data.

Science.gov (United States)

Caroni, C

2002-12-01

The famous data on fatigue failure times of ball bearings have been quoted incorrectly from Lieblein and Zelen's original paper. The correct data include censored values, as well as non-fatigue failures that must be handled appropriately. They could be described by a mixture of Weibull distributions, corresponding to different modes of failure.

Evaluation of safety balls and faceguards for prevention of injuries in youth baseball.

Science.gov (United States)

Marshall, Stephen W; Mueller, Frederick O; Kirby, Daniel P; Yang, Jingzhen

2003-02-05

Safety balls and faceguards are widely used in youth baseball, but their effectiveness in reducing injury is unknown. To evaluate the association of the use of faceguards and safety balls and injuries in youth baseball. Ecological study using a national database of compensated insurance claims maintained by Little League Baseball Incorporated, combined with data on the number of participants in Little League and data from a census of protective equipment usage for youth aged 5 to 18 years participating in Little League Baseball in the United States during 1997-1999. Rate of injury and injury rate ratio comparing users with nonusers of protective equipment. A total of 6 744 240 player-seasons of follow-up and 4233 compensated injury claims were available for analysis. The absolute incidence of compensated injury per 100 000 player-seasons was 28.02 (95% confidence interval [CI], 26.76-29.29) for ball-related injury and 2.71 (95% CI, 2.32-3.11) for facial injury. Overall, use of safety balls was associated with a reduced risk of ball-related injury (adjusted rate ratio, 0.77; 95% CI, 0.64-0.93). This reduction was essentially due to 1 type of safety ball, known as the reduced-impact ball (adjusted rate ratio, 0.72; 95% CI, 0.57-0.91). Use of faceguards reduced the risk of facial injury (adjusted rate ratio, 0.65; 95% CI, 0.43-0.98). Metal and plastic guards appeared to be equally effective. Safety balls appeared to be more effective in the minor division (ages 7-12 years) than in the regular division (ages 9-12 years). Reduced-impact balls and faceguards were associated with a reduced risk of injury in youth baseball. These findings support increased usage of these items; however, it should be noted that the absolute incidence of injury in youth baseball is low and that these equipment items do not prevent all injuries.

Effects of impurities on crystal growth in fructose crystallization

Science.gov (United States)

Chu, Y. D.; Shiau, L. D.; Berglund, K. A.

1989-10-01

The influence of impurities on the crystallization of anhydrous fructose from aqueous solution was studied. The growth kinetics of fructose crystals in the fructose-water-glucose and fructose-water-difructose dianhydrides systems were investigated using photomicroscopic contact nucleation techniques. Glucose is the major impurity likely to be present in fructose syrup formed during corn wet milling, while several difructose dianhydrides are formed in situ under crystallization conditions and have been proposed as a cause in the decrease of overall yields. Both sets of impurities were found to cause inhibition of crystal growth, but the mechanisms responsible in each case are different. It was found that the presence of glucose increases the solubility of fructose in water and thus lowers the supersaturation of the solution. This is probably the main effect responsible for the decrease of crystal growth. Since the molecular structures of difructose dianhydrides are similar to that of fructose, they are probably "tailor-made" impurities. The decrease of crystal growth is probably caused by the incorporation of these impurities into or adsorption to the crystal surface which would accept fructose molecules in the orientation that existed in the difructose dianhydride.

Between Traditions: Stephen Ball and the Critical Sociology of Education

Science.gov (United States)

Apple, Michael W.

2013-01-01

Stephen Ball's work has deservedly received a good deal of attention. In this article, I detail a number of tasks in which the critical sociologist of education--as a "public intellectual"--should engage. I then place Ball's work within these tasks and evaluate his contributions to them. In the process, I show that one of the…

Phosphorescence Control Mediated by Molecular Rotation and Aurophilic Interactions in Amphidynamic Crystals of 1,4-Bis[tri-(p-fluorophenyl)phosphane-gold(I)-ethynyl]benzene.

Science.gov (United States)

Jin, Mingoo; Chung, Tim S; Seki, Tomohiro; Ito, Hajime; Garcia-Garibay, Miguel A

2017-12-13

Here we present a structural design aimed at the control of phosphorescence emission as the result of changes in molecular rotation in a crystalline material. The proposed strategy includes the use of aurophilic interactions, both as a crystal engineering tool and as a sensitive emission probe, and the use of a dumbbell-shaped architecture intended to create a low packing density region that permits the rotation of a central phenylene. Molecular rotor 1, with a central 1,4-diethynylphenylene rotator linked to two gold(I) triphenylphosphane complexes, was prepared and its structure confirmed by single-crystal X-ray diffraction, which revealed chains mediated by dimeric aurophilic interactions. We showed that green-emitting crystals exhibit reversible luminescent color changes between 298 and 193 K, which correlate with changes in rotational motion determined by variable-temperature solid-state 2 H NMR spin-echo experiments. Fast two-fold rotation with a frequency of ca. 4.00 MHz (τ = 0.25 μs) at 298 K becomes essentially static below 193 K as emission steadily changes from green to yellow in this temperature interval. A correlation between phosphorescence lifetimes and rotational frequencies is interpreted in terms of conformational changes arising from rotation of the central phenylene, which causes a change in electronic communication between the gold-linked rotors, as suggested by DFT studies. These results and control experiments with analogue 2, possessing a hindered tetramethylphenylene that is unable to rotate in the crystal, suggest that the molecular rotation can be a useful tool for controlling luminescence in the crystalline state.

Structural changes in polytetrafluoroethylene molecular chains upon sliding against steel

NARCIS (Netherlands)

Shen, J.T.; Pei, Y.T.; Hosson, J.Th.M. De

In this work, the influence of dry sliding between a steel counterpart ball and polytetrafluoroethylene (PTFE) plate sample on the transformation of PTFE molecular structure is investigated. With X-ray diffraction, differential scanning calorimetry, Fourier transform infrared (FT-IR) spectroscopy

CVD carbon powders modified by ball milling

Directory of Open Access Journals (Sweden)

Kazmierczak Tomasz

2015-09-01

Full Text Available Carbon powders produced using a plasma assisted chemical vapor deposition (CVD methods are an interesting subject of research. One of the most interesting methods of synthesizing these powders is using radio frequency plasma. This method, originally used in deposition of carbon films containing different sp2/sp3 ratios, also makes possible to produce carbon structures in the form of powder. Results of research related to the mechanical modification of these powders have been presented. The powders were modified using a planetary ball mill with varying parameters, such as milling speed, time, ball/powder mass ratio and additional liquids. Changes in morphology and particle sizes were measured using scanning electron microscopy and dynamic light scattering. Phase composition was analyzed using Raman spectroscopy. The influence of individual parameters on the modification outcome was estimated using statistical method. The research proved that the size of obtained powders is mostly influenced by the milling speed and the amount of balls. Powders tend to form conglomerates sized up to hundreds of micrometers. Additionally, it is possible to obtain nanopowders with the size around 100 nm. Furthermore, application of additional liquid, i.e. water in the process reduces the graphitization of the powder, which takes place during dry milling.

Geometric modeling in the problem of ball bearing accuracy

Science.gov (United States)

Glukhov, V. I.; Pushkarev, V. V.; Khomchenko, V. G.

2017-06-01

The manufacturing quality of ball bearings is an urgent problem for machine-building industry. The aim of the research is to improve the geometric specifications accuracy of bearings based on evidence-based systematic approach and the method of adequate size, location and form deviations modeling of the rings and assembled ball bearings. The present work addressed the problem of bearing geometric specifications identification and the study of these specifications. The deviation from symmetric planar of rings and bearings assembly and mounting width are among these specifications. A systematic approach to geometric specifications values and ball bearings tolerances normalization in coordinate systems will improve the quality of bearings by optimizing and minimizing the number of specifications. The introduction of systematic approach to the international standards on rolling bearings is a guarantee of a significant increase in accuracy of bearings and the quality of products where they are applied.

Validation of single ball rolling contact fatigue machine dynamics

Energy Technology Data Exchange (ETDEWEB)

Allison, Bryan [SKF Aeroengine, Falconer (United States)

2017-01-15

Single ball test machines are a common method for accelerated rolling contact fatigue testing of bearing materials. Historically, it has always been assumed that the force applied by the retaining bars is negligible, without any data to support this claim. In this study, strain gauges were placed on the retaining bars to determine the load experienced by the retaining bars. This value was then compared to the applied load. It was found that a load of approximately 4 N was transferred to the retainer by the test ball during steady state operation, when a 8385 N load was applied to the ball via the rings. A simulation of the system was also created and successfully predicted the expected loads with reasonable accuracy. This information, as well as the technique of strain gauging the retaining bars, may be useful in the development of similar testing machinery.

Identification of sources of tar balls deposited along the Goa coast, India, using fingerprinting techniques

International Nuclear Information System (INIS)

Suneel, V.; Vethamony, P.; Zakaria, M.P.; Naik, B.G.; Prasad, K.V.S.R.

2013-01-01

Highlights: ► This is first fingerprinting study in India on identification of source of tar balls. ► Tar balls were formed from tanker-wash spills and they resemble floating tar ball. ► δ 13 C values of Bombay High crude oil and the present tar balls do not match. ► Compound specific stable carbon isotope analysis confirmed the source of tar balls. ► Source is confirmed as the South East Asian Crude Oil and not the Bombay High crude. -- Abstract: Deposition of tar balls along the coast of Goa, India is a common phenomenon during the southwest monsoon. Representative tar ball samples collected from various beaches of Goa and one Bombay High (BH) crude oil sample were subjected to fingerprint analysis based on diagnostic ratios of n-alkane, biomarkers of pentacyclic tri-terpanes and compound specific stable carbon isotope (δ 13 C) analysis to confirm the source. The results were compared with the published data of Middle East Crude Oil (MECO) and South East Asian Crude Oil (SEACO). The results revealed that the tar balls were from tanker-wash derived spills. The study also confirmed that the source is not the BH, but SEACO. The present study suggests that the biomarkers of alkanes and hopanes coupled with stable carbon isotope analysis act as a powerful tool for tracing the source of tar balls, particularly when the source specific biomarkers fail to distinguish the source

Decay rates of Gaussian-type I-balls and Bose-enhancement effects in 3+1 dimensions