WorldWideScience

Sample records for stressed crystal lattices

  1. 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.

  2. Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice

    Science.gov (United States)

    Nagatkin, A. N.; Dyshlovenko, P. E.

    2018-01-01

    The mathematical model of monolayer colloidal crystals of charged hard spheres in liquid electrolyte is proposed. The particles in the monolayer are arranged into the two-dimensional hexagonal crystal lattice. The model enables finding elastic constants of the crystals from the stress-strain dependencies. The model is based on the nonlinear Poisson-Boltzmann differential equation. The Poisson-Boltzmann equation is solved numerically by the finite element method for any spatial configuration. The model has five geometrical and electrical parameters. The model is used to study the crystal with particles comparable in size with the Debye length of the electrolyte. The first- and second-order elastic constants are found for a broad range of densities. The model crystal turns out to be stable relative to small uniform stretching and shearing. It is also demonstrated that the Cauchy relation is not fulfilled in the crystal. This means that the pair effective interaction of any kind is not sufficient to proper model the elasticity of colloids within the one-component approach.

  3. Partial rotational lattice order–disorder in stefin B crystals

    International Nuclear Information System (INIS)

    Renko, Miha; Taler-Verčič, Ajda; Mihelič, Marko; Žerovnik, Eva; Turk, Dušan

    2014-01-01

    Crystal lattice disorders are a phenomenon which may hamper the determination of macromolecular crystal structures. Using the case of the crystal structure of stefin B, identification of rotational order–disorder and structure determination are described. At present, the determination of crystal structures from data that have been acquired from twinned crystals is routine; however, with the increasing number of crystal structures additional crystal lattice disorders are being discovered. Here, a previously undescribed partial rotational order–disorder that has been observed in crystals of stefin B is described. The diffraction images revealed normal diffraction patterns that result from a regular crystal lattice. The data could be processed in space groups I4 and I422, yet one crystal exhibited a notable rejection rate in the higher symmetry space group. An explanation for this behaviour was found once the crystal structures had been solved and refined and the electron-density maps had been inspected. The lattice of stefin B crystals is composed of five tetramer layers: four well ordered layers which are followed by an additional layer of alternatively placed tetramers. The presence of alternative positions was revealed by the inspection of electron-density score maps. The well ordered layers correspond to the crystal symmetry of space group I422. In addition, the positions of the molecules in the additional layer are related by twofold rotational axes which correspond to space group I422; however, these molecules lie on the twofold axis and can only be related in a statistical manner. When the occupancies of alternate positions and overlapping are equal, the crystal lattice indeed fulfills the criteria of space group I422; when these occupancies are not equal, the lattice only fulfills the criteria of space group I4

  4. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.

    Science.gov (United States)

    Zakharov, Boris A; Michalchuk, Adam A L; Morrison, Carole A; Boldyreva, Elena V

    2018-03-28

    The thermosalient effect (crystal jumping on heating) attracts much attention as both an intriguing academic phenomenon and in relation to its potential for the development of molecular actuators but its mechanism remains unclear. 1,2,4,5-Tetrabromobenzene (TBB) is one of the most extensively studied thermosalient compounds that has been shown previously to undergo a phase transition on heating, accompanied by crystal jumping and cracking. The difference in the crystal structures and intermolecular interaction energies of the low- and high-temperature phases is, however, too small to account for the large stress that arises over the course of the transformation. The energy is released spontaneously, and crystals jump across distances that exceed the crystal size by orders of magnitude. In the present work, the anisotropy of lattice strain is followed across the phase transition by single-crystal X-ray diffraction, focusing on the structural evolution from 273 to 343 K. A pronounced lattice softening is observed close to the transition point, with the structure becoming more rigid immediately after the phase transition. The diffraction studies are further supported by theoretical analysis of pairwise intermolecular energies and zone-centre lattice vibrations. Only three modes are found to monotonically soften up to the phase transition, with complex behaviour exhibited by the remaining lattice modes. The thermosalient effect is delayed with respect to the structural transformation itself. This can originate from the martensitic mechanism of the transformation, and the accumulation of stress associated with vibrational switching across the phase transition. The finding of this study sheds more light on the nature of the thermosalient effect in 1,2,4,5-tetrabromobenzene and can be applicable also to other thermosalient compounds.

  5. Coefficient of crystal lattice matching as a parameter of substrate - crystal structure compatibility in silumins

    Directory of Open Access Journals (Sweden)

    J. Piątkowski

    2009-07-01

    Full Text Available Adding high-melting point elements (Mo, Nb, Ni, Ti, W to complex silumins results in hardening of the latter ones, owing to the formation of new intermetallic phases of the AlxMey type, with refinement of dendrites in α solution and crystals in β phase. The hardening is also due to the effect of various inoculants. An addition of the inoculant is expected to form substrates, the crystal lattice of which, or some (privileged lattice planes and interatomic spaces should bear a strong resemblance to the crystal nucleus. To verify this statement, using binary phase equilibria systems, the coefficient of crystal lattice matching, being one of the measures of the crystallographic similarity, was calculated. A compatibility of this parameter (up to 20% may decide about the structure compatibility between the substrate and crystal which, in turn, is responsible for the effectiveness of alloy modification. Investigations have proved that, given the temperature range of their formation, the density, the lattice type, and the lattice parameter, some intermetallic phases of the AlxMey type can act as substrates for the crystallisation of aluminium and silicon, and some of the silumin hardening phases.

  6. Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

    International Nuclear Information System (INIS)

    Elcoro, Luis; Etxebarria, Jesus

    2011-01-01

    The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used solid-state textbooks. Frequently, pair interaction is even considered to be the most general situation. In addition, it is shown that the demand of rotational invariance in an infinite crystal leads to inconsistencies in the symmetry of the elastic tensor. However, for finite crystals, no problems arise, and the Huang conditions are deduced using exclusively a microscopic approach for the elasticity theory, without making any reference to macroscopic parameters. This work may be useful in both undergraduate and graduate level courses to point out the crudeness of the pair-potential interaction and to explore the limits of the infinite-crystal approximation.

  7. Quantum concept of the rearrangement of a crystal lattice

    International Nuclear Information System (INIS)

    Gureev, M.D.; Mednikov, S.I.

    1995-01-01

    Using quantum considerations based on the concept of lattice rearrangement waves, we carried out an analysis of processes of rearrangement of a crystal lattice occurring on a moving front (interface) of crystal rearrangement. For the introduction and quantization of these waves we use the method of acoustomechanical analogy and the Sommerfeld quantum conditions. We calculate the energies and the propagation velocities of the lattice rearrangement waves. Along with quanta having a certain momentum, quanta that have a certain angular momentum are introduced into consideration. On the basis of the concepts developed, we suggest a new expression for calculating the probability of thermofluctuational processes in a crystal. We perform a numerical analysis of the rate of growth of the γ-phase in iron in the process of α-γ-conversion. Satisfactory agreement with experiment is obtained. We discuss the limitations and prospects of further development of the concept suggested. For direct experimental verification of the concept we propose to investigate the diffraction of electrons and other particles on the lattice rearrangement waves, i.e., in the process of phase conversions or disintegration of crystals

  8. A novel lattice energy calculation technique for simple inorganic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Kaya, Savaş, E-mail: savaskaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Banerjee, Priyabrata [Surface Engineering and Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur 713209 (India)

    2017-01-01

    In this pure theoretical study, a hitherto unexplored equation based on Shannon radii of the ions forming that crystal and chemical hardness of any crystal to calculate the lattice energies of simple inorganic ionic crystals has been presented. To prove the credibility of this equation, the results of the equation have been compared with experimental outcome obtained from Born-Fajans-Haber- cycle which is fundamentally enthalpy-based thermochemical cycle and prevalent theoretical approaches proposed for the calculation of lattice energies of ionic compounds. The results obtained and the comparisons made have demonstrated that the new equation is more useful compared to other theoretical approaches and allows to exceptionally accurate calculation of lattice energies of inorganic ionic crystals without doing any complex calculations.

  9. Lattice dynamics of ionic crystals

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1990-01-01

    The theory of lattice dynamics for ionic and rare-gas crystals is derived in the harmonic approximation. We start from a Hamiltonian and average over electron coordinates in order to obtain an effective interaction between ion displacements. We assume that electronic excitations are localized on a single ion, which limits the theory to ionic crystals. The deformation-dipole model and the indirect-ionic-interaction model are derived. These two contributions are closely linked, and together provide an accurate description of short-range forces

  10. Lattice location of gold in natural pyrite crystals

    International Nuclear Information System (INIS)

    Besten, Jacinta den; Jamieson, David N.; Ryan, Chris G.

    1999-01-01

    The lattice location of gold atoms in naturally occurring Au-doped pyrite crystals has been investigated with a nuclear microprobe using ion channeling. The specimens consisted of 300-μm diameter pyrite crystals in veins embedded in a quartz matrix from the Emperor mine in Fiji. The specimens were prepared by standard geological specimen preparation techniques and the pyrite crystals were analysed in situ in the quartz matrix. Significant trace elements in the crystals, determined by Proton Induced X-ray Emission with a 3 MeV H + microprobe, were Cu, As, Mo, Zn, Te, Au and Pb. The Au concentration was about 0.2 wt%. By the use of 2 MeV He + ion channeling, the Miller indices of the lowest order crystal axes nearest to the normal were determined from backscattering yield maps from two-dimensional angular scanning and comparison of the resulting patterns with published gnomonic projections. Channeling angular yield curves were obtained from Fe, S, As and Au signals. The results indicate that at least 35% of the Au is substituted onto lattice sites

  11. Improvement of stress-rupture property by Cr addition in Ni-based single crystal superalloys

    International Nuclear Information System (INIS)

    Chen, J.Y.; Feng, Q.; Cao, L.M.; Sun, Z.Q.

    2011-01-01

    Research highlights: → Cr improved the stress-rupture life of single crystal superalloys significantly. → Cr increased the Re partitioning ratio and resulted in more negative misfit. → Mechanism for improving the stress-rupture life by Cr addition is addressed here. - Abstract: The effects of Cr addition on the microstructure and stress-rupture property have been investigated in three experimental Ni-based single crystal superalloys containing various levels of Cr addition (0-5.7 wt.%). The Re partitioning ratio increased and the lattice misfit became more negative with increasing the Cr addition in both dendrite core and interdendritic region. The changes of elemental partitioning behaviors and the lattice misfit show good agreement with the change of γ' morphology. Cr addition increased the stress-rupture life at 1100 deg. C/140 MPa significantly due to higher γ' volume fraction, more negative lattice misfit and a well rafting structure as well as less width of γ channels. High Cr addition (5.7 wt.%) increased the degree of Re and Cr supersaturation in the γ phase and promoted the formation of topologically close-packed (TCP) phases significantly under thermal exposure and creep deformation at 1100 deg. C.

  12. A Lattice-Misfit-Dependent Damage Model for Non-linear Damage Accumulations Under Monotonous Creep in Single Crystal Superalloys

    Science.gov (United States)

    le Graverend, J.-B.

    2018-05-01

    A lattice-misfit-dependent damage density function is developed to predict the non-linear accumulation of damage when a thermal jump from 1050 °C to 1200 °C is introduced somewhere in the creep life. Furthermore, a phenomenological model aimed at describing the evolution of the constrained lattice misfit during monotonous creep load is also formulated. The response of the lattice-misfit-dependent plasticity-coupled damage model is compared with the experimental results obtained at 140 and 160 MPa on the first generation Ni-based single crystal superalloy MC2. The comparison reveals that the damage model is well suited at 160 MPa and less at 140 MPa because the transfer of stress to the γ' phase occurs for stresses above 150 MPa which leads to larger variations and, therefore, larger effects of the constrained lattice misfit on the lifetime during thermo-mechanical loading.

  13. Impact of Heterogeneity and Lattice Bond Strength on DNA Triangle Crystal Growth.

    Science.gov (United States)

    Stahl, Evi; Praetorius, Florian; de Oliveira Mann, Carina C; Hopfner, Karl-Peter; Dietz, Hendrik

    2016-09-07

    One key goal of DNA nanotechnology is the bottom-up construction of macroscopic crystalline materials. Beyond applications in fields such as photonics or plasmonics, DNA-based crystal matrices could possibly facilitate the diffraction-based structural analysis of guest molecules. Seeman and co-workers reported in 2009 the first designed crystal matrices based on a 38 kDa DNA triangle that was composed of seven chains. The crystal lattice was stabilized, unprecedentedly, by Watson-Crick base pairing. However, 3D crystallization of larger designed DNA objects that include more chains such as DNA origami remains an unsolved problem. Larger objects would offer more degrees of freedom and design options with respect to tailoring lattice geometry and for positioning other objects within a crystal lattice. The greater rigidity of multilayer DNA origami could also positively influence the diffractive properties of crystals composed of such particles. Here, we rationally explore the role of heterogeneity and Watson-Crick interaction strengths in crystal growth using 40 variants of the original DNA triangle as model multichain objects. Crystal growth of the triangle was remarkably robust despite massive chemical, geometrical, and thermodynamical sample heterogeneity that we introduced, but the crystal growth sensitively depended on the sequences of base pairs next to the Watson-Crick sticky ends of the triangle. Our results point to weak lattice interactions and high concentrations as decisive factors for achieving productive crystallization, while sample heterogeneity and impurities played a minor role.

  14. Enhancement of polymer dye lasers by multifunctional photonic crystal lattice

    DEFF Research Database (Denmark)

    Christiansen, Mads Brøkner; Xiao, Sanshui; Mortensen, Asger

    2009-01-01

    The light output of dye doped hybrid polymer band-edge lasers is increased more than 100 times by using a rectangular lattice photonic crystal, which provides both feedback and couples more pump light into the laser.......The light output of dye doped hybrid polymer band-edge lasers is increased more than 100 times by using a rectangular lattice photonic crystal, which provides both feedback and couples more pump light into the laser....

  15. Advanced x-ray stress analysis method for a single crystal using different diffraction plane families

    International Nuclear Information System (INIS)

    Imafuku, Muneyuki; Suzuki, Hiroshi; Sueyoshi, Kazuyuki; Akita, Koichi; Ohya, Shin-ichi

    2008-01-01

    Generalized formula of the x-ray stress analysis for a single crystal with unknown stress-free lattice parameter was proposed. This method enables us to evaluate the plane stress states with any combination of diffraction planes. We can choose and combine the appropriate x-ray sources and diffraction plane families, depending on the sample orientation and the apparatus, whenever diffraction condition is satisfied. The analysis of plane stress distributions in an iron single crystal was demonstrated combining with the diffraction data for Fe{211} and Fe{310} plane families

  16. Phonon-enhanced crystal growth and lattice healing

    Science.gov (United States)

    Buonassisi, Anthony; Bertoni, Mariana; Newman, Bonna

    2013-05-28

    A system for modifying dislocation distributions in semiconductor materials is provided. The system includes one or more vibrational sources for producing at least one excitation of vibrational mode having phonon frequencies so as to enhance dislocation motion through a crystal lattice.

  17. On the stress-free lattice expansion of porous cordierite

    International Nuclear Information System (INIS)

    Bruno, Giovanni; Efremov, Alexander M.; Clausen, Bjorn; Balagurov, Anatoly M.; Simkin, Valeriy N.; Wheaton, Bryan R.; Webb, James E.; Brown, Donald W.

    2010-01-01

    An extensive investigation of the lattice expansion (up to 1200 deg. C) of porous synthetic cordierite (obtained by firing a mixture of talc, clay, alumina and silica) was carried out using time-of-flight neutron diffraction at LANSCE, Los Alamos, NM, USA and FNLP, Dubna, Russia. An extruded rod and several powders, with different particle size (dispersity), were studied, with the aim of monitoring the variation of the (lattice) micro-strain as a function of temperature and its influence on the microscopic and macroscopic thermal expansion. Results show a different expansion of the a- and b-axes of the orthorhombic cell (in the rod above 800 deg. C). While the finest powder seems to contract more along the c-axis, thus hinting at the presence of smaller stress, the integral peak width increases as a function of temperature in the intermediate range (300-700 deg. C). This could be explained by the integrity factor modeling in terms of micro-cracking. In polycrystalline cordierite, the model implies tension along the a- and b-axes (positive thermal expansion) accompanied by compression along the c-axis (negative thermal expansion) and a stress release upon cooling, via a thermal micro-cracking mechanism. The calculations of the cordierite macroscopic thermal expansion having as input crystal axial expansions assumed to be stress-free allowed us to conclude that even a fine powder (5 μm particle size) cannot be considered completely stress-free. This conclusion is supported by microstructural observations.

  18. Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

    CERN Document Server

    Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

    2002-01-01

    The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

  19. Photonic Crystal Waveguides in Triangular Lattice of Nanopillars

    DEFF Research Database (Denmark)

    Chigrin, Dmitry N.; Lavrinenko, Andrei

    2004-01-01

    Photonic nanopillars waveguides have been analysed. Dielectric nanopillars are arranged in such way that they from a tringular lattice of 2D photonic crystal. Dispersion of the modes depends on the direction of the triangular lattice, Ã-J or Ã-X, in which nanopillars arrays are extended. Light fi....... Transmission spectra calculated by FDTD method completely reflect peculiarities of modes dispersion, showing up to 80% transmission for a realistic SOI nanopillar structure....

  20. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

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

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

  1. Lattice dynamics and thermal diffuse scattering for molecular crystals

    International Nuclear Information System (INIS)

    Kroon, P.A.

    1977-01-01

    Thermal diffuse scattering (TDS) corrections on the observed reflection intensities in the accurate determination of crystal structures by X-ray diffraction are emphasized. A lattice-dynamical model and procedure for lattice-dynamical calculations are set up. Expression for first- and second-order TDS intensity distributions are derived. A comparison with other models is made. First-order TDS corrections for naphtalene at 100 K are presented

  2. Atomic lattice excitons: from condensates to crystals

    International Nuclear Information System (INIS)

    Kantian, A; Daley, A J; Toermae, P; Zoller, P

    2007-01-01

    We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement

  3. Atomic lattice excitons: from condensates to crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kantian, A [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Daley, A J [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Toermae, P [Nanoscience Center, Department of Physics, University of Jyvaeskylae, PO Box 35, FIN-40014 (Finland); Zoller, P [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria)

    2007-11-15

    We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement.

  4. Ion beam modification of thermal stress resistance of MgO single crystals with different crystallographic faces

    International Nuclear Information System (INIS)

    Gurarie, V.N.; Otsuka, P.H.; Williams, J.S.; Conway, M.J.

    2000-01-01

    Ion beam modification of thermal shock stress resistance of MgO single crystals with various crystallographic faces is investigated. The most stable crystal faces in terms of stress and damage resistance are established. Ion implantation is shown to reduce the temperature threshold of fracture for all crystal faces tested. The (111) face is demonstrated to be of highest stability compared to (110) and (100) faces in both implanted and unimplanted crystals. At the same time ion implantation substantially increases the microcrack density for all the faces tested and reduces the degree of fracture damage following thermal shock. The theoretical resistance parameters for various crystal faces are calculated using the continuum mechanics approach. The results are discussed on the basis of fracture mechanics principles and the effect of the implantation-induced lattice damage on crack nucleation

  5. Investigation the effect of lattice angle on the band gap width in 3D phononic crystals with rhombohedral(I) lattice

    Science.gov (United States)

    Salehi, H.; Aryadoust, M.; Shoushtari, M. Zargar

    2014-07-01

    In this paper, the propagation of acoustic waves in the phononic crystal of 3D with rhombohedral(I) lattice is studied theoretically. The crystal composite constituted of nickel spheres embedded in epoxy. The calculations of the band structure and density of states are performed with the plane wave expansion method in the irreducible part of Brillouin zone. In the present work, we have investigated the effect of lattice angle on the band structure and width of the band gap rhombohedral(I) lattice in the irreducible part of the first Brillouin zone and its planes separately. The results show that more than one complete band gape are formed in the four planes of the irreducible part. The most complete band gaps are formed in the (111) plane and the widest complete band gap in (443) with an angle greater than 80. So, if the sound passes through the (111) and (443) planes for the lattice angle close to 90, the crystal phononic displays the excellent insulation behavior. Moreover, in the other planes, the lattice angle does not affect on the width and the number of band gaps. Also, for the filling fraction 5 %, the widest complete band gap is formed. These results are consistent with the effect of symmetry on the band gap width, because the (111) plane has the most symmetry.

  6. Band structures of phononic crystal composed of lattices with different periodic constants

    International Nuclear Information System (INIS)

    Hu, Jia-Guang; Xu, Wen

    2014-01-01

    With a square lattice mercury and water system being as the model, the band structures of nesting and compound phononic crystals with two different lattice constants were investigated using the method of the supercell plane wave expansion. It was observed that large band gaps can be achieved in low frequency regions by adjusting one of the lattice constants. Meanwhile, effects similar to interstitial impurity defects can be achieved with the increase of lattice constant of the phononic crystal. The corresponding defect modes can be stimulated in band gaps. The larger the lattice constant, the stronger the localization effect of defect modes on the wave. In addition, the change of the filling fraction of impurity exerts great influence on the frequency and localization of defect modes. Furthermore, the change of the position of impurity has notable influence on the frequency of defect modes and their localization. However, the geometry structure and orientation of impurity have little effect on the frequency of defect modes and their localization in the band gap.

  7. Orientation-dependent forces between flux lines and crystal lattice in pure niobium

    International Nuclear Information System (INIS)

    Holzhauser, W.

    1976-01-01

    Torque measurements were performed with cylindrical niobium crystals, due to the very small pinning of the high-purity material. A torque that tries to align the flux lines along special directions of the crystal lattice was studied

  8. Self-organization processes and nanocluster formation in crystal lattices by low-energy ion irradiation

    International Nuclear Information System (INIS)

    Tereshko, I.; Abidzina, V.; Tereshko, A.; Glushchenko, V.; Elkin, I.

    2007-01-01

    The goal of this paper is to study self-organization processes that cause nanostructural evolution in nonlinear crystal media. The subjects of the investigation were nonlinear homogeneous and heterogeneous atom chains. The method of computer simulation was used to investigate the interaction between low-energy ions and crystal lattices. It was based on the conception of three-dimensional lattice as a nonlinear atom chain system. We showed that that in homogeneous atom chains critical energy needed for self-organization processes development is less than for nonlinear atom chain with already embedded clusters. The possibility of nanostructure formation was studied by a molecular dynamics method of nonlinear oscillations in atomic oscillator systems of crystal lattices after their low-energy ion irradiation. (authors)

  9. Ion beam modification of thermal stress resistance of MgO single crystals with different crystallographic faces

    International Nuclear Information System (INIS)

    Gurarie, V.N.; Otsuka, P.H.; Jamieson, D.N.; Williams, J.S.; Conway, M.

    1999-01-01

    Ion beam modification of thermal shock stress and damage resistance of MgO single crystals with various crystallographic faces is investigated. The most stable crystal faces in terms of stress and damage resistance are established. Ion implantation is shown to reduce the temperature threshold of fracture for all crystal faces tested. The (111) face is demonstrated to be of highest stability compared to (110) and (100) faces in both implanted and unimplanted crystals. At the same time ion implantation substantially increases the microcrack density for the faces tested and reduces the degree of fracture damage following thermal shock. The microcrack density is found to be highest in the crystals with (110) face in comparison with the (001) and (111) faces. The effect is analysed using fracture mechanics principles and discussed in terms of the implantation-induced lattice damage

  10. Lattice effects in HoVo(3) single crystal

    NARCIS (Netherlands)

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

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

  11. Lattice distortion under an electric field in BaTiO3 piezoelectric single crystal

    International Nuclear Information System (INIS)

    Tazaki, Ryoko; Fu Desheng; Daimon, Masahiro; Koshihara, Shin-ya; Itoh, Mitsuru

    2009-01-01

    Lattice distortions under an electric field in a mono-domain of BaTiO 3 ferroelectric crystal have been detected with synchrotron x-ray radiation. The variation of the lattice constant with an electric field observed with high angle diffraction shows a linear response nature of the piezoelectric effect. When an electric field is applied along the spontaneous polarization direction, the c-axis of the lattice elongates and the a-axis of the lattice shrinks at a rate of d 33 = 149 ± 54 pm V -1 and d 31 = -82 ± 61 pm V -1 ; these represent the longitudinal and transverse piezoelectric coefficients of BaTiO 3 crystal, respectively. These results give an insight into the intrinsic piezoelectric response on the lattice scale in BaTiO 3 that has been widely used to explore high performance lead-free piezoelectric alloys.

  12. A stress field in the vortex lattice in the type-II superconductor

    Directory of Open Access Journals (Sweden)

    Maruszewski, Bogdan

    2008-02-01

    Full Text Available Magnetic flux can penetrate a type-II superconductor in the form of Abrikosov vortices (also called flux lines, flux tubes, or fluxons, each carrying a quantum of magnetic flux. These tiny vortices of supercurrent tend to arrange themselves in a triangular and/or quadratic flux-line lattice, which is more or less perturbed by material inhomogeneities that pin the flux lines. Pinning is caused by imperfections of the crystal lattice, such as dislocations, point defects, grain boundaries, etc. Hence, a honeycomb-like pattern of the vortex array presents some mechanical properties. If the Lorentz force of interactions between the vortices is much bigger than the pinning force, the vortex lattice behaves elastically. So we assume that the pinning force is negligible in the sequel and we deal with soft vortices. The vortex motion in the vortex lattice and/or creep of the vortices in the vortex fluid is accompanied by energy dissipation. Hence, except for the elastic properties, the vortex field is also of a viscous character. The main aim of the paper is a formulation of a thermoviscoelastic stress - strain constitutive law consisted of coexistence of the ordered and disordered states of the vortex field. Its form describes an auxetic-like thermomechanical (anomalous property of the vortex field.

  13. Resolution of the hydroxyapatite crystal lattice in bone and dental enamel by electron microscopy

    International Nuclear Information System (INIS)

    Selvig, K.A.

    1975-01-01

    The molecular and atomic structure of hydroxyapatite was studied by transmission electron microscopy. The form, size and packing of hydroxyapatite crystals in sections of bone and dental hard tissues could be determined. Lattice fringe patterns with repeat distances in the range 2.7-8.2 A occurred in images of individual crystals. On the basis of these fringes the true orientation of the crystals relative to the plane of sectioning was calculated. The observed crystal lattice spacings and interplanar angles were in close agreement with data derived from X-ray diffraction analysis. This study shows that the possibility exists of relating crystallographic analysis to the morphology and fine structure of calcified tissue in health and disease

  14. Anisotropic stress rupture properties of the nickel-base single crystal superalloy SRR99

    International Nuclear Information System (INIS)

    Han, G.M.; Yu, J.J.; Sun, Y.L.; Sun, X.F.; Hu, Z.Q.

    2010-01-01

    The influence of orientation on the stress rupture properties of a single crystal superalloy SRR99 was investigated at temperatures of 760 and 1040 deg. C. It is found that the creep anisotropic behaviour is pronounced at the lower temperature of 760 deg. C and the stress rupture life ranks in the order [0 0 1] > [1 1 1] > [0 1 1]. Despite the anisotropy of stress rupture life is evidently reduced at the higher temperature, the [1 1 1] orientation exhibits the longest life. At 760 deg. C, EBSD (electron back scattered diffraction) was adopted to measure the lattice rotation and the deduced results indicate that the dominant slip systems are {1 1 1} during stress rupture test. At 1040 deg. C, the ranking order of the stress rupture life is [1 1 1] > [0 0 1] > [0 1 1] and the single crystal close to [0 1 1] orientation still shows the poorest life. In the [0 0 1] and [1 1 1] samples, regular γ' raft structure is formed compared with [0 1 1] samples. Further observations made by TEM investigations reveal the underlying deformation mechanisms for crystals with orientations near [0 0 1], [0 1 1] and [1 1 1] under two test conditions.

  15. Effect of composition and. gamma. -irradiation on crystal lattice spacing of lead sulphide

    Energy Technology Data Exchange (ETDEWEB)

    Indenbaum, G V; Novikova, S F; Vanyukov, A V; Dvorkin, Yu V [Moskovskij Inst. Stali i Splavov (USSR)

    1981-02-01

    Value of crystal lattice spacing of lead sulphide after annealing and quenching at temperatures of 600, 700 and 800 deg C are found for the both boundaries of homogeneity region with error of 5x10/sup -5/A. The effect of ..gamma.. irradiation with quanta energy of 1.25 MeV from /sup 60/Co source (10/sup 4/, 10/sup 5/ and 10/sup 6/ G/kg) on crystal lattice spacing of lead sulphide preliminary saturated with sulphur or lead at 600 deg C, is studied. It is established that lattice spacing of lead sulphide depends on material prehistory and decreases at room temperature after quenching and ..gamma..-irradiation. Effect of natural ageing of lead sulphide is explained by the decomposition of nonstechiometric solid solution, supersaturated with components, at room temperature.

  16. Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

    Energy Technology Data Exchange (ETDEWEB)

    Ponnusamy, Rajesh [Universidade Nova de Lisboa, Avenida da República, EAN, 2781-901 Oeiras (Portugal); Lebedev, Andrey A. [Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Didcot OX11 0FA (United Kingdom); Pahlow, Steffen [University of Hamburg, Ohnhorststrasse 18, 22609 Hamburg (Germany); Lohkamp, Bernhard, E-mail: bernhard.lohkamp@ki.se [Karolinska Institutet, Tomtebodavägen 6, 4tr, 17177 Stockholm (Sweden); Universidade Nova de Lisboa, Avenida da República, EAN, 2781-901 Oeiras (Portugal)

    2014-06-01

    Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs.

  17. Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

    International Nuclear Information System (INIS)

    Ponnusamy, Rajesh; Lebedev, Andrey A.; Pahlow, Steffen; Lohkamp, Bernhard

    2014-01-01

    Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs

  18. Optical trapping via guided resonance modes in a Slot-Suzuki-phase photonic crystal lattice.

    Science.gov (United States)

    Ma, Jing; Martínez, Luis Javier; Povinelli, Michelle L

    2012-03-12

    A novel photonic crystal lattice is proposed for trapping a two-dimensional array of particles. The lattice is created by introducing a rectangular slot in each unit cell of the Suzuki-Phase lattice to enhance the light confinement of guided resonance modes. Large quality factors on the order of 10⁵ are predicted in the lattice. A significant decrease of the optical power required for optical trapping can be achieved compared to our previous design.

  19. The effect of lattice misfit on the dislocation motion in superalloys during high-temperature low-stress creep

    International Nuclear Information System (INIS)

    Zhang, J.X.; Wang, J.C.; Harada, H.; Koizumi, Y.

    2005-01-01

    The development of dislocation configurations in two single-crystal superalloys during high-temperature low-stress creep (1100 deg C, 137 MPa) was investigated with the use of transmission electron microscopy. Detailed analysis showed that the lattice misfit has an important influence on the dislocation movement. For an alloy with a large negative lattice misfit, the dislocations are able to move smoothly by cross-slip in the horizontal γ channels. During subsequent formation of γ/γ' rafted structure, the dislocations on the surface of γ' cuboids rapidly re-orientate themselves from to direction and form a complete network. For an alloy with a small lattice misfit, the dislocations move by the combination of climbing and gliding processes, and the resultant γ/γ' interfacial dislocation network is incomplete. A good explanation of the creep curves is obtained from these differences in the microstructures

  20. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-06-01

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

  1. Ultrasonic characterization of Cu-Al-Ni single crystals lattice stability in the vicinity of the phase transition.

    Science.gov (United States)

    Landa, Michal; Novák, Václav; Sedlák, Petr; Sittner, Petr

    2004-04-01

    Measurements of elastic constants of the austenite phase when approaching the phase transformation either upon cooling or stressing is of the crucial interest for the shape memory alloy field. Acoustic properties (wave velocity and also attenuation changes) of the Cu-Al-Ni single crystal were investigated in situ during stress-induced martensitic transformation at constant (room) temperature. The parent austenite cubic lattice of the Cu-Al-Ni exhibits very high elastic anisotropy (anisotropy factor A approximately 12). The measurements were made using nine combinations of (i) applied uniaxial compression in a given crystal direction, (ii) the wave propagation and (iii) polarization vectors. The chosen configurations are sufficient for evaluation of all independent third order elastic constants (TOEC). The longitudinal modes were also measured by the immersion technique, using the transducer pair in a water tank installed on the testing machine. The device works as "a ultrasonic extensometer" measuring a transverse strain of the specimen. The dependencies of both natural and initial wave velocities on the applied stress may be evaluated. Three elastic constants of the stress-induced martensite were determined. The elastic properties were found to vary with the increasing stress above the Ms transformation temperature, which is interpreted as a precursor for the martensitic transformation. The onset of the transformation was additionally identified from the acoustic emission measurement.

  2. Extraordinary lateral beaming of sound from a square-lattice phononic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Xiaoxue; Qiu, Chunyin; He, Hailong; Peng, Shasha; Ke, Manzhu [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Liu, Zhengyou, E-mail: zyliu@whu.edu.cn [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Institute for Advanced Studies, Wuhan University, Wuhan 430072 (China)

    2017-03-03

    Highlights: • An extraordinary lateral beaming phenomenon is observed in a finite phononic crystal made of square lattice. • The phenomenon can be explained by the equivalence of the states located around the four corners of the first Brillouin zone. • The lateral beaming behavior enables a simple design of acoustic beam splitters. • In some sense, the phenomenon can be described by a near zero refractive index. - Abstract: This work revisits the sound transmission through a finite phononic crystal of square lattice. In addition to a direct, ordinary transmission through the sample, an extraordinary lateral beaming effect is also observed. The phenomenon stems from the equivalence of the states located around the four corners of the first Brillouin zone. The experimental result agrees well with the theoretical prediction. The lateral beaming behavior enables a simple design for realizing acoustic beam splitters.

  3. Chemical composition, crystal size and lattice structural changes after incorporation of strontium into biomimetic apatite.

    Science.gov (United States)

    Li, Z Y; Lam, W M; Yang, C; Xu, B; Ni, G X; Abbah, S A; Cheung, K M C; Luk, K D K; Lu, W W

    2007-03-01

    Recently, strontium (Sr) as ranelate compound has become increasingly popular in the treatment of osteoporosis. However, the lattice structure of bone crystal after Sr incorporation is yet to be extensively reported. In this study, we synthesized strontium-substituted hydroxyapatite (Sr-HA) with different Sr content (0.3%, 1.5% and 15% Sr-HA in mole ratio) to simulate bone crystals incorporated with Sr. The changes in chemical composition and lattice structure of apetite after synthetic incorporation of Sr were evaluated to gain insight into bone crystal changes after incorporation of Sr. X-ray diffraction (XRD) patterns revealed that 0.3% and 1.5% Sr-HA exhibited single phase spectrum, which was similar to that of HA. However, 15% Sr-HA induced the incorporation of HPO4(2-) and more CO3(2-), the crystallinity reduced dramatically. Transmission electron microscopy (TEM) images showed that the crystal length and width of 0.3% and 1.5% Sr-HA increased slightly. Meanwhile, the length and width distribution were broadened and the aspect ratio decreased from 10.68+/-4.00 to 7.28+/-2.80. The crystal size and crystallinity of 15% Sr-HA dropped rapidly, which may suggest that the fundamental crystal structure is changed. The findings from this work indicate that current clinical dosage which usually results in Sr incorporation of below 1.5% may not change chemical composition and lattice structure of bone, while it will broaden the bone crystal size distribution and strengthen the bone.

  4. Equilibrium properties of the fluxoid lattice in single-crystal niobium

    International Nuclear Information System (INIS)

    Kerchner, H.R.; Christen, D.K.; Sekula, S.T.; Thorel, P.

    1979-06-01

    The dimensions and symmetry of the fluxoid lattice in a single-crystal sphere of niobium have been measured by using a double-perfect-crystal small-angle neutron-scattering technique (DCSANS). The bulk magnetization of the same sample has been measured by a field-sweep technique. In addition, the misalignment between the fluxoids and the applied magnetic field was observed by DCSANS. The experimental methods and most of the results are reported elsewhere. The findings are reported here, and the measurements are compared with realistic microscopic theory where it is available

  5. Crystal Engineering on Industrial Diaryl Pigments Using Lattice Energy Minimizations and X-ray Powder Diffraction

    International Nuclear Information System (INIS)

    Schmidt, M.; Dinnebier, R.; Kalkhof, H.

    2007-01-01

    Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was

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

    Directory of Open Access Journals (Sweden)

    V.M. Chernov

    2016-12-01

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

  7. Square-lattice large-pitch hollow-core photonic crystal fiber

    DEFF Research Database (Denmark)

    Couny, F.; Roberts, John; Birks, T.A.

    2008-01-01

    We report on the design, fabrication and characterization of silica square-lattice hollow core photonic crystal fibers optimized for low loss guidance over an extended frequency range in the mid-IR region of the optical spectrum. The fiber's linear optical properties include an ultra-low group...... velocity dispersion and a polarization cross-coupling as low as -13.4dB over 10m of fiber....

  8. X-ray characteristic temperature of Fe-Ni alloys with different crystal lattices

    International Nuclear Information System (INIS)

    Krasnikova, G.N.; Ushakov, A.I.; Kazakov, V.G.; Bochkarev, V.F.; Gorovoj, A.M.

    1978-01-01

    Investigated has been the temperature dependence of the thermal expansion coefficient and the characteristic Debye temperature of the ferronickel films, having a body-centered (cubic) and a face-centered (cubic) lattice. In case of the body-centered lattice films the tests have been staged in the 100-200 deg C range, and in case of the face c.entered lattice films - in the 20-300 deg C range. The study of temperature dependence of the thermal expansion coefficient has revealed that a non-linear growth of the thermal expansion coefficient occurs in α-phase samples when approaching the phase transition temperature. The phase transition in the Invar composition Fe-Ni films is conductive to a considerable variation of the Debye temperature. Approaching the phase transition temperature, the crystal lattice dynamic characteristics vary

  9. Accelerating action of stresses on crystallization kinetics in silicon ion-implanted layers during pulsed heating

    International Nuclear Information System (INIS)

    Aleksandrov, L.N.

    1985-01-01

    Numerical simulation of the effect of stressed in ion-implanted layers on kinetics of amorphous phase transformations is performed. The suggested model of accounting stresses including concentration ones is based on the locality of action of interstitial addition atoms and on general structural inhomogeneity of amorphous semiconductor leading to the formation of areas of the facilitated phase transition. Accounting of effect of energy variation of silicon atoms interaction on probability of displacement events and atoms building in lattice points or atomic bonds disintegration allows one to trace the accelerating action of introduced by ion implantation stresses on the kinetics of layer crystallization during pulsed heating

  10. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP)

    International Nuclear Information System (INIS)

    Tsuruta, Osamu; Yokoyama, Hideshi; Fujii, Satoshi

    2012-01-01

    A new crystal lattice structure of H. pylori neutrophil-activating protein has been determined. Iron loading causes a series of conformational changes at the ferroxidase centre. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP) has been determined in two forms: the native state (Apo) at 2.20 Å resolution and an iron-loaded form (Fe-load) at 2.50 Å resolution. The highly solvated packing of the dodecameric shell is suitable for crystallographic study of the metal ion-uptake pathway. Like other bacterioferritins, HP-NAP forms a spherical dodecamer with 23 symmetry including two kinds of channels. Iron loading causes a series of conformational changes of amino-acid residues (Trp26, Asp52 and Glu56) at the ferroxidase centre

  11. Tunable multi-wavelength polymer laser based on a triangular-lattice photonic crystal structure

    International Nuclear Information System (INIS)

    Huang, Wenbin; Pu, Donglin; Qiao, Wen; Wan, Wenqiang; Liu, Yanhua; Ye, Yan; Wu, Shaolong; Chen, Linsen

    2016-01-01

    A continuously tunable multi-wavelength polymer laser based on a triangular-lattice photonic crystal cavity is demonstrated. The triangular-lattice resonator was initially fabricated through multiple interference exposure and was then replicated into a low refractive index polymer via UV-nanoimprinting. The blend of a blue-emitting conjugated polymer and a red-emitting one was used as the gain medium. Three periods in the scalene triangular-lattice structure yield stable tri-wavelength laser emission (625.5 nm, 617.4 nm and 614.3 nm) in six different directions. A uniformly aligned liquid crystal (LC) layer was incorporated into the cavity as the top cladding layer. Upon heating, the orientation of LC molecules and thus the effective refractive index of the lasing mode changes which continuously shifts the lasing wavelength. A maximum tuning range of 12.2 nm was observed for the lasing mode at 625.5 nm. This tunable tri-wavelength polymer laser is simple constructed and cost-effective. It may find application in the fields of biosensors and photonic integrated circuits. (paper)

  12. Self-Assembly of 3D DNA Crystals Containing a Torsionally Stressed Component.

    Science.gov (United States)

    Hernandez, Carina; Birktoft, Jens J; Ohayon, Yoel P; Chandrasekaran, Arun Richard; Abdallah, Hatem; Sha, Ruojie; Stojanoff, Vivian; Mao, Chengde; Seeman, Nadrian C

    2017-11-16

    There is an increasing appreciation for structural diversity of DNA that is of interest to both DNA nanotechnology and basic biology. Here, we have explored how DNA responds to torsional stress by building on a previously reported two-turn DNA tensegrity triangle and demonstrating that we could introduce an extra nucleotide pair (np) into the original sequence without affecting assembly and crystallization. The extra np imposes a significant torsional stress, which is accommodated by global changes throughout the B-DNA duplex and the DNA lattice. The work reveals a near-atomic structure of naked DNA under a torsional stress of approximately 14%, and thus provides an example of DNA distortions that occur without a requirement for either an external energy source or the free energy available from protein or drug binding. Copyright © 2017 Elsevier Ltd. All rights reserved.

  13. Numerical study of slip system activity and crystal lattice rotation under wedge nanoindents in tungsten single crystals

    Science.gov (United States)

    Volz, T.; Schwaiger, R.; Wang, J.; Weygand, S. M.

    2018-05-01

    Tungsten is a promising material for plasma facing components in future nuclear fusion reactors. In the present work, we numerically investigate the deformation behavior of unirradiated tungsten (a body-centered cubic (bcc) single crystal) underneath nanoindents. A finite element (FE) model is presented to simulate wedge indentation. Crystal plasticity finite element (CPFE) simulations were performed for face-centered and body-centered single crystals accounting for the slip system family {110} in the bcc crystal system and the {111} slip family in the fcc system. The 90° wedge indenter was aligned parallel to the [1 ¯01 ]-direction and indented the crystal in the [0 1 ¯0 ]-direction up to a maximum indentation depth of 2 µm. In both, the fcc and bcc single crystals, the activity of slip systems was investigated and compared. Good agreement with the results from former investigations on fcc single crystals was observed. Furthermore, the in-plane lattice rotation in the material underneath an indent was determined and compared for the fcc and bcc single crystals.

  14. Lattice effects in HoVo3 single crystal

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  15. Lattice location studies of deuterium in Pdsub(0.8)Ausub(0.2) and Ta crystals by ion channeling

    International Nuclear Information System (INIS)

    Takahashi, J.; Yamaguchi, S.; Koiwa, M.; Fujino, Y.; Yoshinari, O.; Hirabayashi, M.

    1978-01-01

    The channelling of 300 to 400 KeV deuterons combined with the D(d,p)T reaction has been used to study the lattice location of deuterium in a fcc crystal of (Pdsub(0.8)Ausub(0.2))Dsub(0.04) and a bcc crystal of TaDsub(0.10). The channelling angular distributions are measured for , , axial and brace 100 brace, brace 110 brace, brace 111 brace planar directions. It is concluded that deuterium in Pdsub(0.8)Ausub(0.2) occupies the octahedral interstice of the fcc lattice, while that in Ta occupies the tetrahedral interstice of the bcc lattice. (author)

  16. Extremely Low Loss THz Guidance Using Kagome Lattice Porous Core Photonic Crystal Fiber

    DEFF Research Database (Denmark)

    Hossain, Anwar; Hasanuzzaman, G.K.M.; Habib, Selim

    2015-01-01

    A novel porous core Kagome lattice photonic crystal fiber is proposed for extremely low loss THz waves guiding. It has been reported that 82.5% of bulk effective material loss of Topas can be reduced...

  17. Low crosstalk waveguide intersections in honeycomb lattice photonic crystals for TM-polarized light

    International Nuclear Information System (INIS)

    Ma, P; Jäckel, H

    2011-01-01

    We present the design of a low crosstalk, high throughput waveguide intersection for transverse-magnetic-polarized light. The design is based on two orthogonal photonic crystal waveguides and a resonant photonic crystal cavity in honeycomb lattice geometry. The results of our numerical simulation validate the concept of the design and demonstrate a crosstalk smaller than 0.1% and throughput transmission of more than 80% for both orthogonal waveguide branches

  18. Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

    Science.gov (United States)

    Lyu, Dandan; Li, Shaofan

    2017-10-01

    Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

  19. Elimination of spurious lattice fermion solutions and noncompact lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Lee, T.D.

    1997-09-22

    It is well known that the Dirac equation on a discrete hyper-cubic lattice in D dimension has 2{sup D} degenerate solutions. The usual method of removing these spurious solutions encounters difficulties with chiral symmetry when the lattice spacing l {ne} 0, as exemplified by the persistent problem of the pion mass. On the other hand, we recall that in any crystal in nature, all the electrons do move in a lattice and satisfy the Dirac equation; yet there is not a single physical result that has ever been entangled with a spurious fermion solution. Therefore it should not be difficult to eliminate these unphysical elements. On a discrete lattice, particle hop from point to point, whereas in a real crystal the lattice structure in embedded in a continuum and electrons move continuously from lattice cell to lattice cell. In a discrete system, the lattice functions are defined only on individual points (or links as in the case of gauge fields). However, in a crystal the electron state vector is represented by the Bloch wave functions which are continuous functions in {rvec {gamma}}, and herein lies one of the essential differences.

  20. Lattice continuum and diffusional creep.

    Science.gov (United States)

    Mesarovic, Sinisa Dj

    2016-04-01

    Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro-Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro-Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate.

  1. Anelasticity of olivine single crystals investigated by stress-reduction tests and high-angular resolution electron backscatter diffraction

    Science.gov (United States)

    Wallis, D.; Hansen, L. N.; Kempton, I.; Wilkinson, A. J.

    2017-12-01

    Geodynamic phenomena, including glacial isostatic adjustment and postseismic deformation, can involve transient deformation in response to changes in differential stress acting on mantle rocks. As such, rheological models of transient deformation are incorporated in predictions of associated processes, including sea-level rise and stress redistribution after earthquakes. However, experimental constraints on rheological models for transient deformation of mantle materials are sparse. In particular, experiments involving stress reductions have been lacking. Moreover, a material's response to a reduction in stress can provide clues to the microphysical processes controlling deformation. To constrain models of transient deformation of mantle rocks we performed stress-reduction tests on single crystals of olivine at 1250-1300°C. Mechanical and piezoelectric actuators controlled constant initial stress during creep. At various strain intervals stress was reduced near-instantaneously using the piezoelectric actuator, inducing both elastic and anelastic (time-dependent) lengthening of the samples. A range of magnitudes of stress reduction were applied, typically unloading 10-90% of the initial stress. High-angular resolution electron backscatter diffraction (HR-EBSD), based on cross-correlation of diffraction patterns, was used to map dislocation density and elastic strain distributions in the recovered samples. Magnitudes of anelastic back-strain increase with increasing magnitudes of stress reduction and show a marked increase when stress reductions exceed 50% of the initial stress, consistent with previous observations in metals and alloys. This observation is inconsistent with the Burgers rheological model commonly used to describe transient behaviour and suggests that the style of rheological behaviour depends on the magnitude of stress change. HR-EBSD maps reveal that the crystal lattices are smoothly curved and generally lack subgrain boundaries and elastic strain

  2. Investigating the large degeneracy Kondo lattice metamagnet CeTiGe: Crystal growth and doping studies

    Energy Technology Data Exchange (ETDEWEB)

    Gruner, T.; Caroca-Canales, N.; Deppe, M.; Geibel, C. [MPI fuer Chemische Physik fester Stoffe, 01187, Dresden (Germany); Sereni, J. [Centro Atomico Bariloche, 8400, S. C. de Bariloche (Argentina)

    2011-07-01

    CeTiGe is a paramagnetic Kondo lattice system with a large orbital degeneracy involved in the formation of the heavy Fermion ground state. Recently we discovered that this compound presents a huge metamagnetic transition at B{sub MMT} {approx} 13 T, with much larger anomalies in magnetization, magnetoresistance and magnetostriction than in the archetypical Kondo lattice metamagnet CeRu{sub 2}Si{sub 2}. Since CeTiGe forms in a pronounced peritectic reaction the growth of single crystals is difficult. We therefore studied the Ce-Ti-Ge ternary metallographic phase diagram to get a sound basis for future crystal growth attempts. Preliminary results of growth experiments based on these studies are promising and shall be discussed. Furthermore, Ti-rich CeTiGe was recently reported to present a high temperature phase crystallizing in the closely related CeScSi structure type. In order to study this structural instability and the effect on the physical properties, we studied the effect of substituting Sc for Ti, since pure CeScGe crystallizes in the CeScSi structure type. In well annealed samples we observed a two phase region in the range 10% - 25%-Sc-substitution. Preliminary investigations of the CeSc{sub x}Ti{sub 1-x}Ge alloy suggest it is a promising candidate for the observation of a ferromagnetic quantum critical point in a large degeneracy Kondo lattice system.

  3. Effect of naturally-occurring uranium and thorium on the level of crystal lattice damage of Malaysian Zircon

    International Nuclear Information System (INIS)

    Meor Yusoff Sulaiman; Khangoankar, P.R.; Kamarudin Husin

    1999-01-01

    Malaysian zircon is classified as a radioactive mineral due to its high uranium and thorium content. Recoil α, which is produce from the decay process of these radioactive elements, could results to the damage of the crystal. Metamictization or crystal lattice damage level of this mineral can be determined from their crystallise size and lattice strain values. Results for two local zircon samples with different uranium and thorium content seem to suggest that there is some relationship between the concentration of these elements and its metamictization level. Comparison of the lattice strain value with previous results conducted on zircon from different country shows that the value is still within the range obtained. Microstructure analysis was also done on the samples. Fractures and pores formed on the mineral surface support the lattice expansion phenomena obtained from the crystallographic analysis. Production of a clean, white non-radioactive zircon pigment is among the commercial potential that could be derived from this study. (Author)

  4. A novel optical beam splitter based on photonic crystal with hybrid lattices

    International Nuclear Information System (INIS)

    Zhu Qing-Yi; Fu Yong-Qi; Zhang Zhi-Min; Hu De-Qing

    2012-01-01

    A novel optical beam splitter constructed on the basis of photonic crystal (PC) with hybrid lattices is proposed in this paper. The band gap of square-lattice PC is so designed that the incident light is divided into several branch beams. Triangular-lattice graded-index PCs are combined for focusing each branch. Computational calculations are carried out on the basis of finite-different time-domain algorithm to prove the feasibility of our design. The waveguide is unnecessary in the design. Thus the device has functions of both splitting and focusing beams. Size of the divided beam at site of full-width at half-maximum is of the order of λ/2. The designed splitter has the advantages that it has a small volume and can be integrated by conventional semiconductor manufacturing process. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  5. Influence of Nd dopants on lattice parameters and thermal and elastic properties in YVO4 single crystals

    International Nuclear Information System (INIS)

    Kucytowski, J.; Wokulska, K.; Kazmierczak-Balata, A.; Bodzenta, J.; Lukasiewicz, T.; Hofman, B.; Pyka, M.

    2008-01-01

    The influence of neodymium doping on YVO 4 single crystals has been studied. The crystals were grown by the Czochralski method. One of them was pure YVO 4 and the others were doped with neodymium (YVO 4 :Nd) at various concentrations of Nd = 0.3-3.0 at.%. The changes of the lattice parameters were determined by the Bond's method [W.L. Bond, Acta Cryst. 13 (1960) 814]. The thermal diffusivity and the velocity of ultrasound using the photothermal method with mirage effect and the pulse echo method [J. Bodzenta, M. Pyka, J. Phys. IV France 137 (2006) 259] were measured. In the examined crystals, it was found that the lattice parameters increase while the thermal diffusivity decreases with increasing concentration of Nd atoms

  6. Stress measurement by x-ray diffractometry

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, C M

    1985-10-22

    This invention relates to x-ray diffractometry and more particularly to apparatus and methods for the measurement of residual stress in polycrystalline, e.g. metallic, specimens. The procedure is based on measurement of the lattice strain of crystals by x-ray diffraction, in which change in the interplanar spacing of a set of crystal lattice planes due to strain causes a change in the diffraction angle of the scattered x-ray beam, from which latter change the magnitude of the strain can be determined. In a polycrystalline specimen, from well know relations for elastic behaviour in isotropic materials, the stress on a plane normal to a given direction in the surface has a component in the given direction which can be calculated from measurement of lattice strain in two directions in a plane containing the given direction and the normal to the specimen surface. In general three such stress components in three directions in the surface are required to determine the principal stresses and thus express the state of stress in the surface. (author). 2 tabs., 9 figs.

  7. Geometric treatment of conduction electron scattering by crystal lattice strains and dislocations

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Koushik, E-mail: kviswana@purdue.edu [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Center for Materials Processing and Tribology, Purdue University, West Lafayette, Indiana 47907 (United States); Chandrasekar, Srinivasan [Center for Materials Processing and Tribology, Purdue University, West Lafayette, Indiana 47907 (United States)

    2014-12-28

    The problem of conduction electron scattering by inhomogeneous crystal lattice strains is addressed using a tight-binding formalism and the differential geometric treatment of deformations in solids. In this approach, the relative positions of neighboring atoms in a strained lattice are naturally taken into account, even in the presence of crystal dislocations, resulting in a fully covariant Schrödinger equation in the continuum limit. Unlike previous work, the developed formalism is applicable to cases involving purely elastic strains as well as discrete and continuous distributions of dislocations—in the latter two cases, it clearly demarcates the effects of the dislocation strain field and core. It also differentiates between elastic and plastic strain contributions, respectively. The electrical resistivity due to the strain field of edge dislocations is then evaluated and the resulting numerical estimate for Cu shows good agreement with reported experimental values. This indicates that the electrical resistivity of edge dislocations in metals is not entirely due to the core, contrary to current models. Application to the study of strain effects in constrained quantum systems is also discussed.

  8. Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

    Energy Technology Data Exchange (ETDEWEB)

    Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe; Reynaud, Stéphanie; Pigeon, Florent [Université de Lyon, CNRS, UMR5516, Laboratoire Hubert Curien, Université de Saint Etienne, Jean Monnet, F-42023 Saint-Etienne (France); Maurice, Claire; Quey, Romain [Ecole Nationale Supérieure des Mines de Saint-Etienne, CNRS, UMR5307, Laboratoire Georges Friedel, F-42023 Saint-Etienne (France)

    2014-04-28

    The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

  9. Contributions to the study of elementary excitations in crystal lattice of real solids

    International Nuclear Information System (INIS)

    Vamanu, V.D.

    1978-01-01

    Two methods for the determination of magnon and phonon elementary excitation spectrum in crystal lattices of certain real solid models have been proposed, tracing down their efficiency in interpreting and predicting certain macroscopic characteristics and behaviour of the materials from the technological point of view, such as saturation magnetization, stability of magnetic phases, spin wave resonance spectra, specific heat, radiation emission and absorbtion etc. The models selected for the real solid are created by supplying the ideal solid model - i.e.a. boundless, periodic solid crystal - with limits, shape and inner defects. Therefore, the paper investigates two typical varieties: the thin monocrystal layer and the crystal itself characterized by impurities. (author)

  10. Manifestation of Crystal Lattice Distortions in the IR Reflection Spectra of Abrasion-Treated ZnSe Ceramics

    Science.gov (United States)

    Sitnikova, V. E.; Dunaev, A. A.; Mamalimov, R. I.; Pakhomov, P. M.; Khizhnyak, S. D.; Chmel, A. E.

    2017-07-01

    The Fourier IR reflection spectra of ZnSe ceramics prepared by hot pressing (HP), physical vapor deposition (PVD), and PVD combined with hot isostatic pressing (HIP) are presented. The optical constants of polished and dry-ground specimens were used for comparison. The grinding treatment simulated the erosion of the outer surface of optical elements made of zinc selenide under the influence of solid dust particles and deposits. In the polished specimens residual stresses showed up in the IR reflection spectra of the ZnSePVD and ZnSeHIP ceramics, which had well-defined orientation of grains, but were not present in the spectra of the ZnSeHIP ceramics as a result of mutual compensation of the stresses in the randomly oriented grains of the material. The stresses, which appeared as a shift of the absorption bands calculated by the Kramers-Kronig method, increased significantly after abrasive treatment of the specimens. For all the treated ceramics the intensity of the absorption bands resulting from the anharmonicity of the vibrations in the distorted crystal lattice increased by several times. The last effect also depends on the production prehistory of the ceramics.

  11. Coherent-potential approximation for the lattice vibrations of mixed III-V crystals

    International Nuclear Information System (INIS)

    Kleinert, P.

    1984-01-01

    The coherent-potential approximation (CPA) is applied to the lattice dynamics of some III-V mixed crystals. The calculations are based on an eleven-parameter rigid-ion model (RIM 11). Explicit results are reported for the one-mode system In/sub 1-c/Ga/sub c/P and the two mixed-mode crystals In/sub 1-c/Ga/sub c/Sb and GaSb/sub 1-c/As/sub c/. Both, the reflectivity spectra and the composition dependence of vibrations at the GAMMA and X points are compared with existing experimental data. Force-constant changes are considered by the virtual-crystal approximation (VCA). The CPA theory is uniquely successful for III-V mixed-mode systems, which appear to switch from one-mode to two-mode behaviour. (author)

  12. New Crystal-Growth Methods for Producing Lattice-Matched Substrates for High-Temperature Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Boatner, L.A.

    2008-06-24

    This effort addressed the technical problem of identifying and growing, on a commercial scale, suitable single-crystal substrates for the subsequent deposition of epitaxial thin films of high temperature semiconductors such as GaN/AlN. The lack of suitable lattice-matched substrate materials was one of the major problem areas in the development of semiconducting devices for use at elevated temperatures as well as practical opto-electronic devices based on Al- and GaN technology. Such lattice-matched substrates are necessary in order to reduce or eliminate high concentrations of defects and dislocations in GaN/AlN and related epitaxial thin films. This effort concentrated, in particular, on the growth of single crystals of ZnO for substrate applications and it built on previous ORNL experience in the chemical vapor transport growth of large single crystals of zinc oxide. This combined expertise in the substrate growth area was further complemented by the ability of G. Eres and his collaborators to deposit thin films of GaN on the subject substrates and the overall ORNL capability for characterizing the quality of such films. The research effort consisted of research on the growth of two candidate substrate materials in conjunction with concurrent research on the growth and characterization of GaN films, i.e. the effort combined bulk crystal growth capabilities in the area of substrate production at both ORNL and the industrial partner, Commercial Crystal Growth Laboratories (CCL), Naples, Florida, with the novel thin-film deposition techniques previously developed in the ORNL SSD.

  13. Effect of plasma absorption on dust lattice waves in hexagonal dust crystals

    Science.gov (United States)

    Kerong, HE; Hui, CHEN; Sanqiu, LIU

    2018-04-01

    In the present paper, the effect of plasma absorption on lattice waves in 2D hexagonal dust crystals is investigated. The dispersion relations with the effect of plasma absorption are derived. It is found that the temperature effect (electron-to-ion temperature ratio τ) enhances the frequency of the dust lattice waves, while the spatial effect (dimensionless Debye shielding parameter \\tilde{κ }) weakens the frequency of the dust lattice waves. In addition, the system stabilities under the conditions of plasma absorption are studied. It is found that the temperature effect narrows the range of instability, while the spatial effect extends this range. And the range of instability is calculated, i.e. the system will always in the stable state regardless of the value of \\tilde{κ } when τ > 3.5. However, the system will be unstable when τ = 1 and \\tilde{κ }> 4.1.

  14. Unidirectional edge states in topological honeycomb-lattice membrane photonic crystals.

    Science.gov (United States)

    Anderson, P Duke; Subramania, Ganapathi

    2017-09-18

    Photonic analogs of electronic systems with topologically non-trivial behavior such as unidirectional scatter-free propagation has tremendous potential for transforming photonic systems. Like in electronics topological behavior can be observed in photonics for systems either preserving time-reversal (TR) symmetry or explicitly breaking it. TR symmetry breaking requires magneto-optic photonics crystals (PC) or generation of synthetic gauge fields. For on-chip photonics that operate at optical frequencies both are quite challenging because of poor magneto-optic response of materials or substantial nanofabrication challenges in generating synthetic gauge fields. A recent work by Ma, et al. [Phys. Rev. Lett.114, 223901 (2015)] based on preserving pseudo TR symmetry offers a promising design scheme for observing unidirectional edge states in a modified honeycomb photonic crystal (PC) lattice of circular rods that offers encouraging alternatives. Here we propose through bandstructure calculations the inverse system of modified honeycomb PC of circular holes in a dielectric membrane which is more attractive from fabrication standpoint for on-chip applications. We observe trivial and non-trivial bandgaps as well as unidirectional edge states of opposite helicity propagating in opposite directions at the interface of a trivial and non-trivial PC structures. Around 1550nm operating wavelength ~55nm of bandwidth is possible for practicable values of design parameters (lattice constant, hole radii, membrane thickness, scaling factor etc.) and robust to reasonable variations in those parameters.

  15. Negative refractions by triangular lattice sonic crystals in partial band gaps

    International Nuclear Information System (INIS)

    Alagoz, S.; Sahin, A.; Alagoz, B. B.; Nur, S.

    2015-01-01

    This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens’ principles. This mechanism leads to two operations for wavefront engineering: one is spatial wavefront shifting operation and the other is convex–concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain (FDTD) simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab corner beam splitting and SC-air multilayer acoustic system. (paper)

  16. Nematic quantum liquid crystals of bosons in frustrated lattices

    Science.gov (United States)

    Zhu, Guanyu; Koch, Jens; Martin, Ivar

    2016-04-01

    The problem of interacting bosons in frustrated lattices is an intricate one due to the absence of a unique minimum in the single-particle dispersion where macroscopic number of bosons can condense. Here, we consider a family of tight-binding models with macroscopically degenerate lowest energy bands, separated from other bands by a gap. We predict the formation of exotic states that spontaneously break rotational symmetry at relatively low filling. These states belong to three nematic phases: Wigner crystal, supersolid, and superfluid. The Wigner crystal phase is established exactly at low filling. Supersolid and superfluid phases, at larger filling, are obtained by making use of a projection onto the flat band, construction of an appropriate Wannier basis, and subsequent mean-field treatment. The nematic superfluid that we predict is uniform in real space but has an anisotropic momentum distribution, providing a novel scenario for Bose condensation with an additional nematic order. Our findings open up a promising direction of studying microscopic quantum liquid crystalline phases of bosons.

  17. Molecular dynamics simulation of thin film interfacial strength dependency on lattice mismatch

    International Nuclear Information System (INIS)

    Yang, Zhou; Lian, Jie; Wang, Junlan

    2013-01-01

    Laser-induced thin film spallation experiments have been previously developed to characterize the intrinsic interfacial strength of thin films. In order to gain insights of atomic level thin film debonding processes and the interfacial strength dependence on film/substrate lattice structures, in this study, molecular dynamics simulations of thin film interfacial failure under laser-induced stress waves were performed. Various loading amplitudes and pulse durations were employed to identify the optimum simulation condition. Stress propagation as a function of time was revealed in conjunction with the interface structures. Parametric studies confirmed that while the interfacial strength between a thin film and a substrate does not depend on the film thickness and the duration of the laser pulse, a thicker film and a shorter duration do provide advantage to effectively load the interface to failure. With the optimized simulation condition, further studies were focused on bulk Au/Au bi-crystals with mismatched orientations, and Ni/Al, Cu/Al, Cu/Ag and Cu/Au bi-crystals with mismatched lattices. The interfacial strength was found to decrease with increasing orientation mismatch and lattice mismatch but more significantly dominated by the bonding elements' atomic structure and valence electron occupancy. - Highlights: • Molecular dynamics simulation was done on stress wave induced thin film spallation. • Atomic structure was found to be a primary strength determining factor. • Lattice mismatch was found to be a secondary strength determining factor

  18. Piezoelectricity and pyroelectricity in polyvinylidene fluoride - Influence of the lattice structure

    Science.gov (United States)

    Purvis, C. K.; Taylor, P. L.

    1983-01-01

    Piezoelectric and pyroelectric responses of beta-phase (Phase I) polyvinylidene fluoride are predicted for a model system of polarizable point dipoles. The model incorporates the influence of the orthorhombic crystal structure by including the dependence of the internal electric field on the lattice parameters. Strong anisotropy in the piezoelectric response under uniaxial stress is predicted as a consequence of the orthorhombic lattice structure. Predictions are found to be in reasonable agreement with room-temperature experimental data.

  19. Analysis of polytype stability in PVT grown silicon carbide single crystal using competitive lattice model Monte Carlo simulations

    Directory of Open Access Journals (Sweden)

    Hui-Jun Guo

    2014-09-01

    Full Text Available Polytype stability is very important for high quality SiC single crystal growth. However, the growth conditions for the 4H, 6H and 15R polytypes are similar, and the mechanism of polytype stability is not clear. The kinetics aspects, such as surface-step nucleation, are important. The kinetic Monte Carlo method is a common tool to study surface kinetics in crystal growth. However, the present lattice models for kinetic Monte Carlo simulations cannot solve the problem of the competitive growth of two or more lattice structures. In this study, a competitive lattice model was developed for kinetic Monte Carlo simulation of the competition growth of the 4H and 6H polytypes of SiC. The site positions are fixed at the perfect crystal lattice positions without any adjustment of the site positions. Surface steps on seeds and large ratios of diffusion/deposition have positive effects on the 4H polytype stability. The 3D polytype distribution in a physical vapor transport method grown SiC ingot showed that the facet preserved the 4H polytype even if the 6H polytype dominated the growth surface. The theoretical and experimental results of polytype growth in SiC suggest that retaining the step growth mode is an important factor to maintain a stable single 4H polytype during SiC growth.

  20. The role of diffusion measurements in the study of crystal lattice defects

    Energy Technology Data Exchange (ETDEWEB)

    Kidson, G V

    1965-07-15

    Measurements of atomic mobility in solids are frequently of direct interest to those concerned with the design, development and utilization of materials in engineering. Increasing attention, however, is currently devoted to an under standing of such properties in terms of the occurrence and nature of point and line defects in the crystals. This paper reviews some recent diffusion studies conducted at C.R,N.L. that provide, in addition to data of interest in nuclear technology, a means of gaining some insight into the more fundamental nature of the lattice defects occurring in the materials. The systems discussed are (i) self diffusion in the high temperature phase of pure zirconium (ii) solute diffusion in lead and (iii) interdiffusion of aluminum and zirconium The unusual and at present incompletely understood results described in (i) are briefly reviewed. Evidence is given to suggest that diffusion occurs either through a dense dislocation network produced as a result of a martensitic phase transformation, or, alternatively, by excess vacancies introduced into the crystal by impurities. In (ii) the extraordinarily rapid diffusion of noble metal solutes in high purity lead single crystals will be discussed n terms of the state of solution of the solute atoms. It will be shown that their diffusion behaviour can be understood by assuming that a fraction f{sub i} of the dissolved solute atoms occupy interstitial sites, The measured diffusion coefficient D{sub m} is related to the interstitial diffusion coefficient by D{sub m} = f{sub i} D{sub i}. In (iii) the formation and rapid growth of single intermetallic compound ZrAl{sub 3} in the diffusion zone formed between pure zirconium and pure aluminum is described and the diffusion mechanism is interpreted in terms of the structure of the compound lattice. The results indicate that ZrAl{sub 3} forms a defect lattice, leading to the relatively rapid migration of aluminum atoms. (author)

  1. Anisotropic lattice expansion of three-dimensional colloidal crystals and its impact on hypersonic phonon band gaps.

    Science.gov (United States)

    Wu, Songtao; Zhu, Gaohua; Zhang, Jin S; Banerjee, Debasish; Bass, Jay D; Ling, Chen; Yano, Kazuhisa

    2014-05-21

    We report anisotropic expansion of self-assembled colloidal polystyrene-poly(dimethylsiloxane) crystals and its impact on the phonon band structure at hypersonic frequencies. The structural expansion was achieved by a multistep infiltration-polymerization process. Such a process expands the interplanar lattice distance 17% after 8 cycles whereas the in-plane distance remains unaffected. The variation of hypersonic phonon band structure induced by the anisotropic lattice expansion was recorded by Brillouin measurements. In the sample before expansion, a phononic band gap between 3.7 and 4.4 GHz is observed; after 17% structural expansion, the gap is shifted to a lower frequency between 3.5 and 4.0 GHz. This study offers a facile approach to control the macroscopic structure of colloidal crystals with great potential in designing tunable phononic devices.

  2. Localized electromagnetic modes and transmission spectrum of one-dimensional photon crystal with lattice defects

    CERN Document Server

    Vetrov, S Y

    2001-01-01

    The properties of the localized electromagnetic modes in the one-dimensional photon crystal with a structural defective layer are studied. The anisotropic layer of the nematic liquid layer is considered as the defect. It is shown that the frequency and coefficient of the defective modes attenuation essentially depend on the defective layer thickness and nematic optical axis orientation. The spectrum of the photon crystal transmittance with one or two defects in the lattice is studied. The possibility of controlling the the photon crystal transmittance spectrum on the count of changing the orientation of the nematic optical axis, for example, through the external electric field is shown with an account of strong anisotropy of the dielectric permittivity

  3. 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)

  4. Investigations into the Surface Strain/Stress State in a Single-Crystal Superalloy via XRD Characterization

    Directory of Open Access Journals (Sweden)

    Haodong Duan

    2018-05-01

    Full Text Available The present study was aimed at determining the surface strain/stress state in an Ni-based single-crystal (SC superalloy that was subjected to two different cooling rates from solid solution temperature through using the X-ray diffraction (XRD method. The normal stresses σ 11 s and σ 22 s were determined, then the Von Mises stresses ( σ V M s were derived from them. Field emission gun scanning electron microscope (FEG-SEM and transmission electron microscope (TEM micrographs were taken to illustrate the strain/stress state change. The precipitation of the secondary γ′ phases in the γ phase and the formation of the dislocation in the interphase upon a slower cooling rate caused the γ phase lattice distortion to increase, so a larger σ V M s of the γ phase was realized in comparison to the faster cooling sample. For both of the two cooling modes, we found that the σ V M s of the γ′ phase increased due to the growth of the γ′ phase during the aging process. Also, the aging process led to pronouncedly anisotropic lattice mismatches in the {331} and {004} planes. In addition, the surface strain/stress states of a cylinder sample and a tetragonal sample were also studied using a faster cooling rate, and σ 11 s and σ 22 s were analyzed to explain the influence of the shape factor on the stress anisotropy in the [001] and [ 1 1 ¯ 0 ] orientations. The strain in the [001] orientation of the γ phase is more sensitive to the shape change.

  5. Orientation dependence of shape memory and super elastic effects in Ti-30% Ni-20% Cu single crystals

    International Nuclear Information System (INIS)

    Chumlyakov, Yu.I.; Kireeva, I.V.

    1999-01-01

    Single crystals of Ti-30% Ni-20% Cu (at.%) alloy experiencing B2-B19 martensitic transformation are used to study the dependence of deforming stress σ cr , shape memory effect and super elasticity on test temperature, crystal orientation and the sign of tension/compression stresses. It is shown that experimental values of shape memory effect and super elasticity as well as their dependences on orientation and loading regime are described within the frameworks of the model taking into account lattice distortions only. The orientation dependence and axial stress asymmetry in the temperature range of stress-induced martensite formation are determined by the dependence of lattice distortion during B2-B19 martensitic transformations on the orientation and the sign of applied stresses [ru

  6. Experimental evidence for a chiral symmetry-breaking mechanism in aspartic acid: Lattice and sub-lattice matching

    Science.gov (United States)

    Teschke, Omar; Soares, David Mendez

    2017-10-01

    A mother crystal formed from a transient molecular structure of (D+L) aspartic acid in solution is reported. Hexagonal structures with a lattice constant of 1.04 nm were crystallized from a solution in which three aspartic acid species coexist: right- and left-handed enantiomorphs, denoted D-aspartic and L-aspartic, respectively, and transitory (D+L) aspartic acid specie. Atomic force microscopy images of the crystalline deposits reveal domains of the transitory (D+L) aspartic acid crystal forming the substrate deposit on silicon wafers, and on top of this hexagonal lattice only L-aspartic acid is observed to conform and crystallize. A preferential crystallization mechanism is then observed for (D+L) aspartic acid crystals that seed only L-aspartic deposits by the geometrical matching of their multiple hexagonal lattice structures with periodicities of 1.04 nm and 0.52 nm, respectively.

  7. Holographic Fabrication of Designed Functional Defect Lines in Photonic Crystal Lattice Using a Spatial Light Modulator

    Directory of Open Access Journals (Sweden)

    Jeffrey Lutkenhaus

    2016-04-01

    Full Text Available We report the holographic fabrication of designed defect lines in photonic crystal lattices through phase engineering using a spatial light modulator (SLM. The diffracted beams from the SLM not only carry the defect’s content but also the defect related phase-shifting information. The phase-shifting induced lattice shifting in photonic lattices around the defects in three-beam interference is less than the one produced by five-beam interference due to the alternating shifting in lattice in three beam interference. By designing the defect line at a 45 degree orientation and using three-beam interference, the defect orientation can be aligned with the background photonic lattice, and the shifting is only in one side of the defect line, in agreement with the theory. Finally, a new design for the integration of functional defect lines in a background phase pattern reduces the relative phase shift of the defect and utilizes the different diffraction efficiency between the defect line and background phase pattern. We demonstrate that the desired and functional defect lattice can be registered into the background lattice through the direct imaging of designed phase patterns.

  8. The influence of high hydrostatic pressure on lattice parameters of a single crystal of BaTiO3

    International Nuclear Information System (INIS)

    Malinowski, M.; Lukaszewicz, K.; Asbrink, S.

    1986-01-01

    The lattice parameters of a single crystal of BaTiO 3 have been measured under high hydrostatic pressure up to 5 GPa using a diamond-anvil high-pressure cell of a new design. The lattice becomes cubic at 2.08(8) GPa and stays cubic at higher pressures. The pressure dependence of the tetragonal-cubic transition temperature is estimated to be -46 K GPa -1 . (orig.)

  9. Lattice strain evolution in IMI 834 under applied stress

    International Nuclear Information System (INIS)

    Daymond, Mark R.; Bonner, Neil W.

    2003-01-01

    The effect of elastic and plastic anisotropy on the evolution of lattice strains in the titanium alloy IMI834 has been examined during a uniaxial tensile test, by in situ monitoring on the Engin instrument at the ISIS pulsed neutron source. Measurements were made at load during an incremental loading test. The data is analysed in the light of the requirements for engineering residual stress scanning measurements performed at polychromatic neutron and synchrotron diffraction sources. Comparisons between the measured strains from different lattice families and the predictions from an elasto-plastic self-consistent model are made. Agreement is good in the elastic regime and for most diffraction planes in the plastic regime

  10. Effect of γ-irradiation on the lattice parameter and colour centre concentration in pure Ca2+, Sr2+ and Eu2+ doped KCl crystals

    International Nuclear Information System (INIS)

    Damm, J.Z.; Stepien-Damm, J.

    1980-01-01

    The changes of lattice parameter and colour centre concentration are examined in KCl crystals (both pure and Me 2+ -doped) irradiated by γ-rays at room temperature. For the pure crystals the relative volume change vs. F-centre concentration plot reveals the presence of two stages, one ascribed to the introduction of colour centre pairs (or F centres only) and other to the generation of new dislocations (or new dislocations with trapped-hole centres). In Me 2+ doped crystals the lattice expansion bears a complex character (in the initial irradiation stage a transient maximum appears). Additional anomaly appears in Eu 2+ KCl in the high-dose range where in spite of a distinct F-centre concentration drop a marked raise of the lattice parameter is observed. (author)

  11. Stress-induced martensitic transformation and ferroelastic deformation adjacent microhardness indents in tetragonal zirconia single crystals

    International Nuclear Information System (INIS)

    Chien, F.R.; Ubic, F.J.; Prakash, V.; Heuer, A.H.

    1998-01-01

    The stress-induced tetragonal to monoclinic (t → m) martensitic transformation, stress-induced ferroelastic domain switching, and dislocation slip were induced by Vickers microindentation at elevated temperatures in polydomain single crystals of 3 mol%-Y 2 O 3 -stabilized tetragonal ZrO 2 single crystals (3Y-TZS). Chemical etching revealed traces along t directions adjacent to indentations, and Raman spectroscopy and TEM have shown that these traces are caused by products of the martensitic transformation, i.e. the monoclinic product phase forms primarily as thin, long plates with a habit plane approximately on (bar 301) m . This habit plane and the associated shear strain arising from the transformation, visible in TEM micrographs at the intersection of crystallographically equivalent martensite plates, were successfully predicted using the observed lattice correspondence and the phenomenological invariant plane strain theory of martensitic transformations. The extent of the martensitic transformation increased with increasing temperature from room temperature up to 300 C, but then decreased at higher temperatures. Ferroelastic deformation of tetragonal ZrO 2 has been observed at all temperatures up to 1,000 C. At the highest temperature, only ferroelastic domain switching and dislocation slip occurred during indentation-induced deformation

  12. Elastic lattice in an incommensurate background

    International Nuclear Information System (INIS)

    Dickman, R.; Chudnovsky, E.M.

    1995-01-01

    We study a harmonic triangular lattice, which relaxes in the presence of an incommensurate short-wavelength potential. Monte Carlo simulations reveal that the elastic lattice exhibits only short-ranged translational correlations, despite the absence of defects in either lattice. Extended orientational order, however, persists in the presence of the background. Translational correlation lengths exhibit approximate power-law dependence upon cooling rate and background strength. Our results may be relevant to Wigner crystals, atomic monolayers on crystals surfaces, and flux-line and magnetic bubble lattices

  13. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy

    International Nuclear Information System (INIS)

    Silva, F.T. da; Nunes, M.A.M.; Souza, C.P. de; Gomes, U.U.

    2010-01-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  14. Elastic (stress-strain) halo associated with ion-induced nano-tracks in lithium niobate: role of crystal anisotropy

    International Nuclear Information System (INIS)

    Rivera, A; Garcia, G; Olivares, J; Crespillo, M L; Agulló-López, F

    2011-01-01

    The elastic strain/stress fields (halo) around a compressed amorphous nano-track (core) caused by a single high-energy ion impact on LiNbO 3 are calculated. A method is developed to approximately account for the effects of crystal anisotropy of LiNbO 3 (symmetry 3m) on the stress fields for tracks oriented along the crystal axes (X, Y or Z). It only considers the zero-order (axial) harmonic contribution to the displacement field in the perpendicular plane and uses effective Poisson moduli for each particular orientation. The anisotropy is relatively small; however, it accounts for some differential features obtained for irradiations along the crystallographic axes X, Y and Z. In particular, the irradiation-induced disorder (including halo) and the associated surface swelling appear to be higher for irradiations along the X- or Y-axis in comparison with those along the Z-axis. Other irradiation effects can be explained by the model, e.g. fracture patterns or the morphology of pores after chemical etching of tracks. Moreover, it offers interesting predictions on the effect of irradiation on lattice parameters.

  15. Steady-state hydrodynamic instabilities of active liquid crystals: hybrid lattice Boltzmann simulations.

    Science.gov (United States)

    Marenduzzo, D; Orlandini, E; Cates, M E; Yeomans, J M

    2007-09-01

    We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently "extensile" rods, in the case of flow-aligning liquid crystals, and for sufficiently "contractile" ones for flow-tumbling materials. In a quasi-one-dimensional geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, rearrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of "convection rolls." These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behavior of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behavior of active nematics.

  16. Obtaining local reciprocal lattice vectors from finite-element analysis.

    Science.gov (United States)

    Sutter, John P; Connolley, Thomas; Hill, Tim P; Huang, Houcheng; Sharp, Doug W; Drakopoulos, Michael

    2008-11-01

    Finite-element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS Workbench software is widely used for such simulations. However, although ANSYS Workbench software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X-ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double-crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.

  17. Crystal Systems.

    Science.gov (United States)

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  18. Optical NOR logic gate design on square lattice photonic crystal platform

    Energy Technology Data Exchange (ETDEWEB)

    D’souza, Nirmala Maria, E-mail: nirmala@cukerala.ac.in; Mathew, Vincent, E-mail: vincent@cukerala.ac.in [Department of Physics, Central University of Kerala, Kasaragod, Kerala-671 314 (India)

    2016-05-06

    We numerically demonstrate a new configuration of all-optical NOR logic gate with square lattice photonic crystal (PhC) waveguide using finite difference time domain (FDTD) method. The logic operations are based on interference effect of optical waves. We have determined the operating frequency range by calculating the band structure for a perfectly periodic PhC using plane wave expansion (PWE) method. Response time of this logic gate is 1.98 ps and it can be operated with speed about 513 GB/s. The proposed device consists of four linear waveguides and a square ring resonator waveguides on PhC platform.

  19. The nature of γ-hydride in crept zirconium single crystals

    International Nuclear Information System (INIS)

    Akhtar, A.

    1977-01-01

    Single crystals prepared from crystal bar zirconium have been subjected to uniaxial tensile-creep under a vacuum of 10 -4 Pa for 160 h. Transmission electron microscopy of crept crystals has revealed the presence of thin fct γ-zirconium hydride platelets lying parallel to (1100) planes and elongated along the [1120]sub(α) direction. The platelets maintain the following lattice relationship with the hcp (α) matrix: [1120]sub(α)//[110]sub(γ), (0001)sub(α)//(001)sub(γ). This relationship is different from that obtained for needle γ-hydride generally observed in quenched samples. Lattice misfit calculations indicate that the platelets have a large positive misfit normal to the plane of the disc and a small misfit in the plane of the disc, which remains parallel to (1010)sub(α). Displacement fringe contrast is observed inside the platelets under conditions consistent with the lattice misfit. It is proposed that the nucleation of these precipitates occurs at stacking faults in the presence of applied stress. (Auth.)

  20. Three-dimensional modelling of thermal stress in floating zone silicon crystal growth

    Science.gov (United States)

    Plate, Matiss; Krauze, Armands; Virbulis, Jānis

    2018-05-01

    During the growth of large diameter silicon single crystals with the industrial floating zone method, undesirable level of thermal stress in the crystal is easily reached due to the inhomogeneous expansion as the crystal cools down. Shapes of the phase boundaries, temperature field and elastic material properties determine the thermal stress distribution in the solid mono crystalline silicon during cylindrical growth. Excessive stress can lead to fracture, generation of dislocations and altered distribution of intrinsic point defects. Although appearance of ridges on the crystal surface is the decisive factor of a dislocation-free growth, the influence of these ridges on the stress field is not completely clear. Here we present the results of thermal stress analysis for 4” and 5” diameter crystals using a quasi-stationary three dimensional mathematical model including the material anisotropy and the presence of experimentally observed ridges which cannot be addressed with axis-symmetric models. The ridge has a local but relatively strong influence on thermal stress therefore its relation to the origin of fracture is hypothesized. In addition, thermal stresses at the crystal rim are found to increase for a particular position of the crystal radiation reflector.

  1. New methods for indexing multi-lattice diffraction data

    International Nuclear Information System (INIS)

    Gildea, Richard J.; Waterman, David G.; Parkhurst, James M.; Axford, Danny; Sutton, Geoff; Stuart, David I.; Sauter, Nicholas K.; Evans, Gwyndaf; Winter, Graeme

    2014-01-01

    A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of data. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from microcrystals of ∼1 µm in size. A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from crystals of ∼1 µm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1° wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling

  2. Lateral stress-induced propagation characteristics in photonic crystal fibres

    Institute of Scientific and Technical Information of China (English)

    Tian Hong-Da; Yu Zhong-Yuan; Han Li-Hong; Liu Yu-Min

    2009-01-01

    Using the finite element method, this paper investigates lateral stress-induced propagation characteristics in a pho-tonic crystal fibre of hexagonal symmetry. The results of simulation show the strong stress dependence of effective index of the fundamental guided mode, phase modal birefringence and confinement loss. It also finds that the contribution of the geometrical effect that is related only to deformation of the photonic crystal fibre and the stress-related contribution to phase modal birefringence and confinement loss are entirely different. Furthermore, polarization-dependent stress sensitivity of confinement loss is proposed in this paper.

  3. Mapping residual stresses in PbWO4 crystals using photo-elastic analysis

    International Nuclear Information System (INIS)

    Lebeau, M.; Gobbi, L.; Majni, G.; Paone, N.; Pietroni, P.; Rinaldi, D.

    2005-01-01

    Large scintillating crystals are affected by internal stresses induced by the crystal growth temperature gradient remanence. Cutting boules (ingots) into finished crystal shapes allows for a partial tension relaxation but residual stresses remain the main cause of breaking. Quality control of residual stresses is essential in the application of Scintillating Crystals to high-energy physics calorimeters (e.g. CMS ECAL at CERN LHC). In this context the industrial process optimisation towards stress reduction is mandatory. We propose a fast technique for testing samples during the production process in order to evaluate the residual stress distribution after the first phases of mechanical processing. We mapped the stress distribution in PbWO 4 slabs cut from the same production boule. The analysis technique is based on the stress intensity determination using the photo-elastic properties of the samples. The stress distribution is mapped in each sample. The analysis shows that there are regions of high residual tension close to the seed position and at the boule periphery. These results should allow for adapting the industrial process to producing crystals with lower residual stresses

  4. Interaction between crystal lattice and mobile ions in copper selenides studied by EXAFS spectroscopy

    International Nuclear Information System (INIS)

    Asylgushina, G.N.; Bikkulova, N.N.; Titova, S.G.; Kochubey, D.I.

    2005-01-01

    Interaction between crystal lattice and mobile Cu ions has been studied in Cu 2- x Se in superionic and in normal state using EXAFS-spectroscopy. It has been found that the transition from normal to superionic state and change of mobile Cu ion concentration practically do not have an influence on local state of Cu atoms, but change of both these parameters is accompanied by a change of Se-sublattice state

  5. Effect of lattice disorder on the thermal conductivity of ZnBeSe, ZnMgSe and ZnBeMgSe crystals

    International Nuclear Information System (INIS)

    Strzałkowski, K.

    2015-01-01

    Zn 1−x−y Be x Mg y Se mixed crystals investigated in this work were grown from the melt by the high pressure high temperature modified Bridgman method in the range of composition 0 < x,y < 0.33. Photopyroelectric (PPE) calorimetry in the back (BPPE) and front (FPPE) configuration was applied for thermal investigation of solid samples. The thermal diffusivity and effusivity of investigated crystals were derived from the experimental data. Since dynamic thermal parameters are connected with each other, thermal conductivity of the specimens was calculated from theoretical dependencies between them. The influence of the beryllium (x) and magnesium (y) content on thermal properties of these crystals have been presented and discussed. Order-disorder effects observed for these materials previously have been also taken into account. Finally, thermal diagrams, i.e. thermal conductivity versus composition were presented and discussed applying model given by Sadao Adachi. - Highlights: • Investigated II–VI crystals were obtained by a high pressure modified Bridgman method. • A complete thermal characterization of Zn 1−x−y Be x Mg y Se semiconductors was carried out. • The effect of lattice disorder on thermal properties was presented and discussed. • Obtained data were analyzed applying lattice thermal conductivity model. • Contribution to thermal resistivity arising from lattice disorder was calculated

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

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  7. Characterization of a defective PbWO4 crystal cut along the a-c crystallographic plane: structural assessment and a novel photoelastic stress analysis

    Science.gov (United States)

    Montalto, L.; Natali, P. P.; Daví, F.; Mengucci., P.; Paone, N.; Rinaldi, D.

    2017-12-01

    Among scintillators, the PWO is one of the most widely used, for instance in CMS calorimeter at CERN and PANDA project. Crystallographic structure and chemical composition as well as residual stress condition, are indicators of homogeneity and good quality of the crystal. In this paper, structural characterization of a defective PbWO4 (PWO) crystal has been performed by X-ray Diffraction (XRD), Energy Dispersive Spectroscopy (EDS) and Photoelasticity in the unusual (a, c) crystallographic plane. XRD and EDS analysis have been used to investigate crystallographic orientation and chemical composition, while stress distribution, which indicates macroscopic inhomogeneities and defects, has been obtained by photoelastic approaches, in Conoscopic and Sphenoscopic configuration. Since the sample is cut along the (a, c) crystallographic plane, a new method is proposed for the interpretation of the fringe pattern. The structural analysis has detected odds from the nominal lattice dimension, which can be attributed to the strong presence of Pb and W. A strong inhomogeneity over the crystal sample has been revealed by the photoelastic inspection. The results give reliability to the proposed procedure which is exploitable in crystals with other structures.

  8. Dissipation of the electronic excitation energy in fluorides with different type of a crystal lattice

    International Nuclear Information System (INIS)

    Lisitsyn, V.M.; Grechkina, T. V.; Korepanov, V.I.; Lisitsyna, L.A.

    2004-01-01

    Full text: In this paper we present results of comparison of efficiency creations of primary defects in crystals of fluorides of two different lattice structures: stone salt - LiF and rutile MgF 2 . We have used the methods with nanosecond time-resolved of pulse spectroscopy and found laws of creation and evolution self-trapped exciton (STE) and the F centers in a temperature range from 12.5 to 500 K and a time interval from 10 -8 to 10 -1 s after the ending of influence of a pulse electron. The density of excitation of crystals in a pulse is no more than 0.1 J·cm -3 , average energy electrons made 200 keV, duration electron pulse - 7 ns. It is established, that in crystal LiF under action of radiation are created STE two types which have various spectral-kinetic parameters absorption and emission transitions, various values of activation energy of processes of a post-industrial relaxation and different character of temperature dependences of creation efficiency under action electron pulse. In the field of low temperatures (12.5 K) created on center STE has absorption bands on 5.5 and 5.1 eV and emission band on 5.8 eV. Off-center STE has absorption on 5.3 and 4.75 eV and emission on 4.4 eV bands and are created in the interval 12.5-170 K with peak efficiency h area 60 K. In crystal MgF 2 at low temperatures (20 K) under action of radiation one STE with a nucleus occupying off-center configuration, having luminescence band on 3.2 eV and a series absorption transitions in area 4-5.5 eV is created. Concurrently with STE in both crystals under action of a pulse electron the F-centers with efficiency, not dependent on temperature of a crystal in area 20-100 K are created. There are two alternative processes under action of an irradiation with growth of temperature higher 100 K: reducing of STE creation and increasing of F centers creation. In both crystals quenching temperature of luminescence STE at T>60 K which is not accompanied by growth of efficiency of creation

  9. Boron lattice location in room temperature ion implanted Si crystal

    International Nuclear Information System (INIS)

    Piro, A.M.; Romano, L.; Mirabella, S.; Grimaldi, M.G.

    2005-01-01

    The B lattice location in presence of a Si-self-interstitial (I Si ) supersaturation, controlled by energetic proton bombardment, has been studied by means of ion channelling and massive Monte Carlo simulations. B-doped layers of Si crystals with a B concentration of 1 x 10 2 B/cm 3 were grown by Molecular Beam Epitaxy. Point defect engineering techniques, with light energetic ion implants, have been applied to generate an I Si uniform injection in the electrically active layer. The displacement of B atoms out of substitutional lattice sites was induced by 650 keV proton irradiations at room temperature (R.T.) and the resultant defect configuration was investigated by ion channelling and Nuclear Reaction Analysis (NRA) techniques. Angular scans were measured both through and axes along the (1 0 0) plane using the 11 B(p,α) 8 Be nuclear reaction at 650 keV proton energy. Monte Carlo simulated angular scans were calculated considering a variety of theoretical defect configurations, supported by literature, and compared with experimental data. Our experimental scans can be fitted by a linear combination of small (0.3 A) and large B displacements (1.25 A) along the direction, compatible with the B-dumbbell oriented along as proposed by ab initio calculations

  10. Method of storing radioactive rare gas. [gas occupies spaces in the zeolite crystal lattice

    Energy Technology Data Exchange (ETDEWEB)

    Nagao, H; Miharada, H; Takiguchi, Y; Kanazawa, T; Soya, M

    1975-05-15

    A method is provided to prevent dispersion of radioactive rare gas atoms by sealing them in a pressurised state within zeolite and thereby confining them in position within the zeolite crystal lattice. Radioactive rare gas is separated from exhaust gas and concentrated by using a low temperature adsorption means or liquefaction distillation means and necessary accessory means, and then it is temporarily stored in a gas holder. When a predetermined quantity of storage is reached, the gas is led to a sealing tank containing zeolite heated to 300 to 400/sup 0/C and held at 3,000 to 4,000 atmospheres, and under this condition radioactive rare gas is brought to occupy the spaces in the zeolite crystal lattice. After equilibrium pressure is reached by the pressure in the tank at that temperature, the gas is cooled in the pressurised state down to room temperature. Subsequently, the rare gas remaining in the tank and duct is recovered by a withdrawal pump into the gas holder. Thereafter, the zeolite with radioactive rare gas sealed in it is taken out from the tank and sealed within a long period storage container, which is then housed in a predetermined place for storage.

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

    Directory of Open Access Journals (Sweden)

    Valeri S. Harutyunyan

    2017-11-01

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

  12. Observation of a commensurate array of flux chains in tilted flux lattices in Bi-Sr-Ca-Cu-O single crystals

    International Nuclear Information System (INIS)

    Bolle, C.A.; Gammel, P.L.; Grier, D.G.; Murray, C.A.; Bishop, D.J.; Mitzi, D.B.; Kapitulnik, A.

    1991-01-01

    We report the observation of a novel flux-lattice structure, a commensurate array of flux-line chains. Our experiments consist of the magnetic decoration of the flux lattices in single crystals of Ba-Sr-Ca-Cu-O where the magnetic field is applied at an angle with respect to the conducting planes. For a narrow range of angles, the equilibrium structure is one with uniformly spaced chains with a higher line density of vortices than the background lattice. Our observations are in qualitative agreement with theories which suggest that, in strongly anisotropic materials the vortices develop an attractive interaction in tilted magnetic fields

  13. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    CERN Document Server

    Peng, Y; Chew, Y T; Qiu, J

    2003-01-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler .

  14. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    Science.gov (United States)

    Peng, Y.; Shu, C.; Chew, Y. T.; Qiu, J.

    2003-03-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system [1] can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler [2].

  15. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    International Nuclear Information System (INIS)

    Peng, Y.; Shu, C.; Chew, Y.T.; Qiu, J.

    2003-01-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler

  16. The contrasting roles of creep and stress relaxation in the time-dependent deformation during in-situ cooling of a nickel-base single crystal superalloy.

    Science.gov (United States)

    Panwisawas, Chinnapat; D'Souza, Neil; Collins, David M; Bhowmik, Ayan

    2017-09-11

    Time dependent plastic deformation in a single crystal nickel-base superalloy during cooling from casting relevant temperatures has been studied using a combination of in-situ neutron diffraction, transmission electron microscopy and modelling. Visco-plastic deformation during cooling was found to be dependent on the stress and constraints imposed to component contraction during cooling, which mechanistically comprises creep and stress relaxation. Creep results in progressive work hardening with dislocations shearing the γ' precipitates, a high dislocation density in the γ channels and near the γ/γ' interface and precipitate shearing. When macroscopic contraction is restricted, relaxation dominates. This leads to work softening from a decreased dislocation density and the presence of long segment stacking faults in γ phase. Changes in lattice strains occur to a similar magnitude in both the γ and γ' phases during stress relaxation, while in creep there is no clear monotonic trend in lattice strain in the γ phase, but only a marginal increase in the γ' precipitates. Using a visco-plastic law derived from in-situ experiments, the experimentally measured and calculated stresses during cooling show a good agreement when creep predominates. However, when stress relaxation dominates accounting for the decrease in dislocation density during cooling is essential.

  17. Lattice Boltzmann Simulation of Kinetic Isotope Effect During Snow Crystal Formation

    Science.gov (United States)

    Lu, G.; Depaolo, D. J.; Kang, Q.; Zhang, D.

    2007-12-01

    The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically-symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over- saturation, determines crystal morphology, there are no quantitative models that relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be direct relationships between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D lattice Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. Crystal growth patterns can be varied between random growth and deterministic growth (along the maximum concentration gradient for example). The input parameters needed are the isotope- dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the condensation coefficient for ice is uncertain. The ratio D/k is a length (order 1 micron) that determines the minimum scale of dendritic growth features

  18. In Situ Investigation of the Evolution of Lattice Strain and Stresses in Austenite and Martensite During Quenching and Tempering of Steel

    DEFF Research Database (Denmark)

    Villa, M.; Niessen, F.; Somers, M. A. J.

    2018-01-01

    Energy dispersive synchrotron X-ray diffraction was applied to investigate in situ the evolution of lattice strains and stresses in austenite and martensite during quenching and tempering of a soft martensitic stainless steel. In one experiment, lattice strains in austenite and martensite were...... measured in situ in the direction perpendicular to the sample surface during an austenitization, quenching, and tempering cycle. In a second experiment, the sin2ψ method was applied in situ during the austenite-to-martensite transformation to distinguish between macro- and phase-specific micro......-stresses and to follow the evolution of these stresses during transformation. Martensite formation evokes compressive stress in austenite that is balanced by tensile stress in martensite. Tempering to 748 K (475 °C) leads to partial relaxation of these stresses. Additionally, data reveal that (elastic) lattice strain...

  19. Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions.

    Science.gov (United States)

    Cheng, Szu-Cheng; Jheng, Shih-Da

    2016-08-22

    This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coherent states and exists periodically in the physical space. This lattice is called a von Neumann lattice, and when it possesses a single vortex per unit cell, it presents the same geometrical structure as an Abrikosov lattice. In this report, we extend the von Neumann lattice to one with an integral number of flux quanta per unit cell and demonstrate that von Neumann lattices well reproduce the translational properties of bubble crystals. Numerical simulations confirm that, as a generalized vortex, a von Neumann lattice can be physically realized using vortex lattices in rapidly rotating Bose gases with dipole interatomic interactions.

  20. Fluorescence imaging of lattice re-distribution on step-index direct laser written Nd:YAG waveguide lasers

    Energy Technology Data Exchange (ETDEWEB)

    Martínez de Mendívil, Jon; Pérez Delgado, Alberto; Lifante, Ginés; Jaque, Daniel [Departamento de Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, Madrid 28049 (Spain); Ródenas, Airán [Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Tarragona 43007 (Spain); Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Benayas, Antonio, E-mail: antonio.benayas@emt.inrs.ca [Departamento de Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, Madrid 28049 (Spain); Institut National de la Recherche Scientifique, Centre – Énergie Matériaux et Télécommunications, 1650, Boul. Lionel Boulet Varennes, Quebec J3X 1S2 (Canada); Aguiló, Magdalena; Diaz, Francesc [Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Tarragona 43007 (Spain); Kar, Ajoy K. [Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2015-01-14

    The laser performance and crystalline micro-structural properties of near-infrared step-index channel waveguides fabricated inside Neodymium doped YAG laser ceramics by means of three-dimensional sub-picosecond pulse laser direct writing are reported. Fluorescence micro-mapping of the waveguide cross-sections reveals that an essential crystal lattice re-distribution has been induced after short pulse irradiation. Such lattice re-distribution is evidenced at the waveguide core corresponding to the laser written refractive index increased volume. The waveguides core surroundings also present diverse changes including slight lattice disorder and bi-axial strain fields. The step-index waveguide laser performance is compared with previous laser fabricated waveguides with a stress-optic guiding mechanism in absence of laser induced lattice re-distribution.

  1. The focusing effect of electromagnetic waves in two-dimensional photonic crystals with gradually varying lattice constant

    Directory of Open Access Journals (Sweden)

    F Bakhshi Garmi

    2016-02-01

    Full Text Available In this paper we studied the focusing effect of electromagnetic wave in the two-dimensional graded photonic crystal consisting of Silicon rods in the air background with gradually varying lattice constant. The results showed that graded photonic crystal can focus wide beams on a narrow area at frequencies near the lower edge of the band gap, where equal frequency contours are not concave. For calculation of photonic band structure and equal frequency contours, we have used plane wave expansion method and revised plane wave expansion method, respectively. The calculation of the electric and magnetic fields was performed by finite difference time domain method.

  2. Structural evolution of amino acid crystals under stress from a non-empirical density functional

    International Nuclear Information System (INIS)

    Sabatini, Riccardo; Küçükbenli, Emine; De Gironcoli, Stefano; Kolb, Brian; Thonhauser, T

    2012-01-01

    Use of the non-local correlation functional vdW-DF (from ‘van der Waals density functional’; Dion M et al 2004 Phys. Rev. Lett. 92 246401) has become a popular approach for including van der Waals interactions within density functional theory. In this work, we extend the vdW-DF theory and derive the corresponding stress tensor in a fashion similar to the LDA and GGA approach, which allows for a straightforward implementation in any electronic structure code. We then apply our methodology to investigate the structural evolution of amino acid crystals of glycine and l-alanine under pressure up to 10 GPa - with and without van der Waals interactions - and find that for an accurate description of intermolecular interactions and phase transitions in these systems, the inclusion of van der Waals interactions is crucial. For glycine, calculations including the vdW-DF (vdW-DF-c09x) functional are found to systematically overestimate (underestimate) the crystal lattice parameters, yet the stability ordering of the different polymorphs is determined accurately, at variance with the GGA case. In the case of l-alanine, our vdW-DF results agree with recent experiments that question the phase transition reported for this crystal at 2.3 GPa, as the a and c cell parameters happen to become equal but no phase transition is observed.

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

    Science.gov (United States)

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

    2018-03-01

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

  4. Enhanced electron-lattice coupling under uniaxial stress in layered double hydroxides intercalated with samarium complexes

    International Nuclear Information System (INIS)

    Park, Ta-Ryeong

    2004-01-01

    We have applied uniaxial stress to samarium complexes by intercalating them into the gallery of a layered material and by using a diamond-anvil cell at 28 K. Although uniaxial stress reduces symmetry and removes degeneracy, the overall number of photoluminescence (PL) peaks evidently decreased with the application of uniaxial stress. This contradictory observation is explained by an increased electron-lattice coupling strength under uniaxial stress. This behavior is also confirmed by time-resolved PL data.

  5. In Situ Investigation of the Evolution of Lattice Strain and Stresses in Austenite and Martensite During Quenching and Tempering of Steel

    Science.gov (United States)

    Villa, M.; Niessen, F.; Somers, M. A. J.

    2018-01-01

    Energy dispersive synchrotron X-ray diffraction was applied to investigate in situ the evolution of lattice strains and stresses in austenite and martensite during quenching and tempering of a soft martensitic stainless steel. In one experiment, lattice strains in austenite and martensite were measured in situ in the direction perpendicular to the sample surface during an austenitization, quenching, and tempering cycle. In a second experiment, the sin2 ψ method was applied in situ during the austenite-to-martensite transformation to distinguish between macro- and phase-specific micro-stresses and to follow the evolution of these stresses during transformation. Martensite formation evokes compressive stress in austenite that is balanced by tensile stress in martensite. Tempering to 748 K (475 °C) leads to partial relaxation of these stresses. Additionally, data reveal that (elastic) lattice strain in austenite is not hydrostatic but hkl dependent, which is ascribed to plastic deformation of this phase during martensite formation and is considered responsible for anomalous behavior of the 200 γ reflection.

  6. Synthesizing lattice structures in phase space

    International Nuclear Information System (INIS)

    Guo, Lingzhen; Marthaler, Michael

    2016-01-01

    In one dimensional systems, it is possible to create periodic structures in phase space through driving, which is called phase space crystals (Guo et al 2013 Phys. Rev. Lett. 111 205303). This is possible even if for particles trapped in a potential without periodicity. In this paper we discuss ultracold atoms in a driven optical lattice, which is a realization of such a phase space crystals. The corresponding lattice structure in phase space is complex and contains rich physics. A phase space lattice differs fundamentally from a lattice in real space, because its coordinate system, i.e., phase space, has a noncommutative geometry, which naturally provides an artificial gauge (magnetic) field. We study the behavior of the quasienergy band structure and investigate the dissipative dynamics. Synthesizing lattice structures in phase space provides a new platform to simulate the condensed matter phenomena and study the intriguing phenomena of driven systems far away from equilibrium. (paper)

  7. The investigation of stress in freestanding GaN crystals grown from Si substrates by HVPE.

    Science.gov (United States)

    Lee, Moonsang; Mikulik, Dmitry; Yang, Mino; Park, Sungsoo

    2017-08-17

    We investigate the stress evolution of 400 µm-thick freestanding GaN crystals grown from Si substrates by hydride vapour phase epitaxy (HVPE) and the in situ removal of Si substrates. The stress generated in growing GaN can be tuned by varying the thickness of the MOCVD AlGaN/AlN buffer layers. Micro Raman analysis shows the presence of slight tensile stress in the freestanding GaN crystals and no stress accumulation in HVPE GaN layers during the growth. Additionally, it is demonstrated that the residual tensile stress in HVPE GaN is caused only by elastic stress arising from the crystal quality difference between Ga- and N-face GaN. TEM analysis revealed that the dislocations in freestanding GaN crystals have high inclination angles that are attributed to the stress relaxation of the crystals. We believe that the understanding and characterization on the structural properties of the freestanding GaN crystals will help us to use these crystals for high-performance opto-electronic devices.

  8. Vortex lattice structures in YNi2B2C

    International Nuclear Information System (INIS)

    Yethiraj, M.; Paul, D.M.; Tomy, C.V.; Forgan, E.M.

    1997-01-01

    The authors observe a flux lattice with square symmetry in the superconductor YNi 2 B 2 C when the applied field is parallel to the c-axis of the crystal. A square lattice observed previously in the isostructural magnetic analog ErNi 2 B 2 C was attributed to the interaction between magnetic order in that system and the flux lattice. Since the Y-based compound does not order magnetically, it is clear that the structure of the flux lattice is unrelated to magnetic order. In fact, they show that the flux lines have a square cross-section when the applied field is parallel to the c-axis of the crystal, since the measured penetration depth along the 100 crystal direction is larger than the penetration depth along the 110 by approximately 60%. This is the likely reason for the square symmetry of the lattice. Although they find considerable disorder in the arrangement of the flux lines at 2.5T, no melting of the vortex lattice was observed

  9. Angle-resolved imaging of single-crystal materials with MeV helium ions

    Energy Technology Data Exchange (ETDEWEB)

    Strathman, M D; Baumann, S [Charles Evans and Associates, Redwood City, CA (United States)

    1992-02-01

    The simplest form of angle-resolved mapping for single-crystal materials is the creation of a channeling angular scan. Several laboratories have expanded this simple procedure to include mapping as a function of two independent tilts. These angle-resolved images are particularly suited to the assessment of crystal parameters including disorder, lattice location of impurities, and lattice stress. This paper will describe the use of the Charles Evans and Associates RBS-400 scattering chamber for acquisition, display, and analysis of angle-resolved images obtained from backscattered helium ions. Typical data acquisition times are 20 min for a {+-}2deg X-Y tilt scan with 2500 pixels (8/100deg resolution), and 10 nC per pixel. In addition, we will present a method for automatically aligning crystals for channeling measurements based on this imaging technology. (orig.).

  10. Angle-resolved imaging of single-crystal materials with MeV helium ions

    International Nuclear Information System (INIS)

    Strathman, M.D.; Baumann, S.

    1992-01-01

    The simplest form of angle-resolved mapping for single-crystal materials is the creation of a channeling angular scan. Several laboratories have expanded this simple procedure to include mapping as a function of two independent tilts. These angle-resolved images are particularly suited to the assessment of crystal parameters including disorder, lattice location of impurities, and lattice stress. This paper will describe the use of the Charles Evans and Associates RBS-400 scattering chamber for acquisition, display, and analysis of angle-resolved images obtained from backscattered helium ions. Typical data acquisition times are 20 min for a ±2deg X-Y tilt scan with 2500 pixels (8/100deg resolution), and 10 nC per pixel. In addition, we will present a method for automatically aligning crystals for channeling measurements based on this imaging technology. (orig.)

  11. Lattice vibrations in α-boron

    International Nuclear Information System (INIS)

    Richter, W.

    1976-01-01

    α-rhombohedral boron is the simplest boron modification, with only 12 atoms per unit cell. The boron atoms are arranged in B 12 icosahedra, which are centered at the lattice points of a primitive rhombohedral lattice. The icosahedra are slightly deformed, as the five-fold symmetry of the ideal icosahedron is incompatible with any crystal structure. The lattice dynamics of α-boron are discussed in terms of the model developed by Weber and Thorpe. (Auth.)

  12. Ni-Mn-Ga single crystals with very low twinning stress

    International Nuclear Information System (INIS)

    Straka, L; Haenninen, H; Soroka, A; Sozinov, A

    2011-01-01

    Twinning stress or mechanical hysteresis associated with the twin boundary motion is one of the most essential parameters which determine the actuating performance of magnetic shape memory alloys. Recent effort at AdaptaMat Ltd. to decrease the twinning stress resulted in a consistent production of Ni-Mn-Ga magnetic shape memory single crystals with the twinning stress of about 0.1 MPa, which is much lower than previously reported. In this work, the mechanical and magnetomechanical response of the developed crystals is discussed in detail and the importance of adjustment of the twin microstructure for obtaining an optimal actuating behavior is illustrated.

  13. Deformed lattice states in a Zn{sub 0.9}V{sub 0.1}Se cubic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Maksimov, V. I., E-mail: kokailo@rambler.ru; Dubinin, S. F.; Surkova, T. P.; Parkhomenko, V. D. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation)

    2016-01-15

    Neutron scattering patterns have been recorded for a bulk Zn{sub 0.9}V{sub 0.1}Se cubic crystal at room temperature; they are indicative of macroscopic deformation in the material and its significant inhomogeneity. Specific features of the previously found state, preceding the fcc ↔ hcp structural transformation of the sphalerite lattice upon strong destabilization induced by vanadium ions in the doped ZnSe matrix, are discussed taking into account the data obtained.

  14. Structure and lattice dynamics in non-centrosymmetric borates

    International Nuclear Information System (INIS)

    Stein, W.D.R.

    2007-01-01

    was investigated to a maximum energy of 10 THz. For experimental phonon dispersion several lattice dynamical models are discussed. A shell model with angular forces and additional force constants could describe the phonon dispersion with an averaged deviation of 0.234 THz. The crystal structure of the tetraborates was investigated at room temperature and in addition for the barium and lead compound at 100 K. The comparison of the structure of the isostructural compounds SrB 4 O 7 and PbB 4 O 7 shows a noticeable shift of the lead against the strontium position, which as a result of the similar ion radii of the two ions could be assigned to the lone electron pair at the lead atom. The comparison of the crystal structure at low temperature shows similar to bismuth triborate an increase of the influence of the lone electron pair at lower temperatures. In barium tetraborate two different bond valence sums of the two crystallographic different barium positions are observed. As its origin the strong internal stresses are discussed. (orig.)

  15. Lattice Waves, Spin Waves, and Neutron Scattering

    Science.gov (United States)

    Brockhouse, Bertram N.

    1962-03-01

    Use of neutron inelastic scattering to study the forces between atoms in solids is treated. One-phonon processes and lattice vibrations are discussed, and experiments that verified the existence of the quantum of lattice vibrations, the phonon, are reviewed. Dispersion curves, phonon frequencies and absorption, and models for dispersion calculations are discussed. Experiments on the crystal dynamics of metals are examined. Dispersion curves are presented and analyzed; theory of lattice dynamics is considered; effects of Fermi surfaces on dispersion curves; electron-phonon interactions, electronic structure influence on lattice vibrations, and phonon lifetimes are explored. The dispersion relation of spin waves in crystals and experiments in which dispersion curves for spin waves in Co-Fe alloy and magnons in magnetite were obtained and the reality of the magnon was demonstrated are discussed. (D.C.W)

  16. Modeling stress wave propagation in rocks by distinct lattice spring model

    Directory of Open Access Journals (Sweden)

    Gaofeng Zhao

    2014-08-01

    Full Text Available In this paper, the ability of the distinct lattice spring model (DLSM for modeling stress wave propagation in rocks was fully investigated. The influence of particle size on simulation of different types of stress waves (e.g. one-dimensional (1D P-wave, 1D S-wave and two-dimensional (2D cylindrical wave was studied through comparing results predicted by the DLSM with different mesh ratios (lr and those obtained from the corresponding analytical solutions. Suggested values of lr were obtained for modeling these stress waves accurately. Moreover, the weak material layer method and virtual joint plane method were used to model P-wave and S-wave propagating through a single discontinuity. The results were compared with the classical analytical solutions, indicating that the virtual joint plane method can give better results and is recommended. Finally, some remarks of the DLSM on modeling of stress wave propagation in rocks were provided.

  17. Transmission Electron Microscope Measures Lattice Parameters

    Science.gov (United States)

    Pike, William T.

    1996-01-01

    Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.

  18. Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions

    OpenAIRE

    Cheng, Szu-Cheng; Jheng, Shih-Da

    2016-01-01

    This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coh...

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

    International Nuclear Information System (INIS)

    Molnar, P.; Sittner, P.; Novak, V.; Lukas, P.

    2008-01-01

    A neutron single crystal diffraction method for inspecting the quality of martensite single crystals is introduced. True interface-free martensite single crystals are indispensable for, e.g. measurement of elastic constants of phases by ultrasonic techniques. The neutron diffraction method was used to detect and distinguish the presence of individual lattice correspondence variants of the 2H orthorhombic martensite phase in Cu-Al-Ni as well as to follow the activity of twinning processes during the deformation test on the martensite variant single crystals. When preparing the martensite single variant prism-shaped crystals by compression deformation method, typically a small fraction of second unwanted martensitic variant (compound twin) remains in the prism samples. Due to the very low stress (∼1 MPa) for the compound twinning in many shape memory alloys, it is quite difficult not only to deplete the martensite prisms of all internal interfaces but mainly to keep them in the martensite single variant state for a long time needed for further investigations

  20. Thermal conductivity prediction of nanoscale phononic crystal slabs using a hybrid lattice dynamics-continuum mechanics technique

    Directory of Open Access Journals (Sweden)

    Charles M. Reinke

    2011-12-01

    Full Text Available Recent work has demonstrated that nanostructuring of a semiconductor material to form a phononic crystal (PnC can significantly reduce its thermal conductivity. In this paper, we present a classical method that combines atomic-level information with the application of Bloch theory at the continuum level for the prediction of the thermal conductivity of finite-thickness PnCs with unit cells sized in the micron scale. Lattice dynamics calculations are done at the bulk material level, and the plane-wave expansion method is implemented at the macrosale PnC unit cell level. The combination of the lattice dynamics-based and continuum mechanics-based dispersion information is then used in the Callaway-Holland model to calculate the thermal transport properties of the PnC. We demonstrate that this hybrid approach provides both accurate and efficient predictions of the thermal conductivity.

  1. Synthesis of spatially variant lattices.

    Science.gov (United States)

    Rumpf, Raymond C; Pazos, Javier

    2012-07-02

    It is often desired to functionally grade and/or spatially vary a periodic structure like a photonic crystal or metamaterial, yet no general method for doing this has been offered in the literature. A straightforward procedure is described here that allows many properties of the lattice to be spatially varied at the same time while producing a final lattice that is still smooth and continuous. Properties include unit cell orientation, lattice spacing, fill fraction, and more. This adds many degrees of freedom to a design such as spatially varying the orientation to exploit directional phenomena. The method is not a coordinate transformation technique so it can more easily produce complicated and arbitrary spatial variance. To demonstrate, the algorithm is used to synthesize a spatially variant self-collimating photonic crystal to flow a Gaussian beam around a 90° bend. The performance of the structure was confirmed through simulation and it showed virtually no scattering around the bend that would have arisen if the lattice had defects or discontinuities.

  2. Crystal orientation and sample preparation effects on sputtering and lattice damage in 100 keV self-irradiated copper

    International Nuclear Information System (INIS)

    Sprague, J.A.; Malmberg, P.R.; Reynolds, G.W.; Lambert, J.M.; Treado, P.A.; Vincenz, A.M.

    1987-01-01

    Sputtering yields and angular distributions have been measured as functions of sample preparation techniques and incident ion-beam orientation with respect to the crystal axes for 100 keV Cu-ion beams on Cu crystals and polycrystalline samples. The angular distributions have structure requiring an nth order cosine with two Gaussians superimposed to fit the data; strong peaking is observed near the backscatter direction. The yield is dependent on the beam to crystal and beam to polycrystalline-rod axis orientation, on the grain size of the polycrystals and on sample-preparation techniques. Yield measurements vary by as much as a factor of 4. Lattice-damage differences, measured with alpha particle channeling, are much smaller and seem to be saturated by fluences of the order of 1x10 16 /cm 2 . (orig.)

  3. Lattice parameters guide superconductivity in iron-arsenides

    Science.gov (United States)

    Konzen, Lance M. N.; Sefat, Athena S.

    2017-03-01

    The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported in relation to the materials basis in magnetism and spin excitations. In fact, most HTS have antiferromagnetic undoped ‘parent’ materials that undergo a superconducting transition upon small chemical substitutions in them. As it is currently unclear which ‘dopants’ can favor superconductivity, this manuscript investigates crystal structure changes upon chemical substitutions, to find clues in lattice parameters for the superconducting occurrence. We review the chemical substitution effects on the crystal lattice of iron-arsenide-based crystals (2008 to present). We note that (a) HTS compounds have nearly tetragonal structures with a-lattice parameter close to 4 Å, and (b) superconductivity can depend strongly on the c-lattice parameter changes with chemical substitution. For example, a decrease in c-lattice parameter is required to induce ‘in-plane’ superconductivity. The review of lattice parameter trends in iron-arsenides presented here should guide synthesis of new materials and provoke theoretical input, giving clues for HTS.

  4. Pinning potentials of the vortex lattice in YBCO crystals in the peak effect region

    International Nuclear Information System (INIS)

    Pasquini, G.; Bekeris, V.

    2004-01-01

    Memory effects in the dynamic response of the vortex lattice (VL) in type II superconductors and its relationship with the controversial peak effect, have attracted great interest for a long time. In the last years, these features have been observed in YBCO single crystals, with the DC magnetic field tilted away from the twin planes and were related with robust dynamical states characterized by different degrees of mobility. Recently, we reported that the previous dynamical history of the VL can modify not only its dynamic response, but can even modify its static properties as well. In the present work, we try to understand the nature of the peak effect in YBCO crystals by sensing the effective AC penetration depth in the linear Campbell regime. We report history dependent effective pinning potential well curvatures and study the stability of the different static configurations. Interestingly, we observe that the more pinned VL configuration is not the more stable. Results agree with a dynamic scenario undergoing the Peak Effect

  5. Localized structures in Kagome lattices

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Avadh B [Los Alamos National Laboratory; Bishop, Alan R [Los Alamos National Laboratory; Law, K J H [UNIV OF MASSACHUSETTS; Kevrekidis, P G [UNIV OF MASSACHUSETTS

    2009-01-01

    We investigate the existence and stability of gap vortices and multi-pole gap solitons in a Kagome lattice with a defocusing nonlinearity both in a discrete case and in a continuum one with periodic external modulation. In particular, predictions are made based on expansion around a simple and analytically tractable anti-continuum (zero coupling) limit. These predictions are then confirmed for a continuum model of an optically-induced Kagome lattice in a photorefractive crystal obtained by a continuous transformation of a honeycomb lattice.

  6. 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.

  7. Raman investigation of lattice defects and stress induced in InP and GaN films by swift heavy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Hu, P.P. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); University of Chinese Academy of Sciences (UCAS), Beijing 100049 (China); Liu, J., E-mail: J.Liu@impcas.ac.cn [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); Zhang, S.X. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); University of Chinese Academy of Sciences (UCAS), Beijing 100049 (China); Maaz, K. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); Nanomaterials Research Group, Physics Division, PINSTECH, Nilore, 45650 Islamabad (Pakistan); Zeng, J. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); Guo, H. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China); University of Chinese Academy of Sciences (UCAS), Beijing 100049 (China); Zhai, P.F.; Duan, J.L.; Sun, Y.M.; Hou, M.D. [Institute of Modern Physics, Chinese Academy of Sciences (CAS), Lanzhou 730000 (China)

    2016-04-01

    InP crystals and GaN films were irradiated by swift heavy ions {sup 86}Kr and {sup 209}Bi with kinetic energies of 25 and 9.5 MeV per nucleon and ion fluence in the range 5 × 10{sup 10} to 3.6 × 10{sup 12} ions/cm{sup 2}. The characteristic optical bands were studied by Raman spectroscopy to reveal the disorder and defects induced in the samples during the irradiation process. The crystallinity of InP and GaN was found to be deteriorated after irradiation by the swift heavy ions and resulted in the amorphous nature of the samples along the ion tracks. The amorphous tracks observed by transmission electron microscopy (TEM) images confirmed the formation of lattice defects. In typical F{sub 2}(LO) mode, in case of InP, the spectra shifted towards the lower wavenumbers with a maximum shift of 7.6 cm{sup −1} induced by 1030 MeV Bi ion irradiation. While in case of GaN, the typical E{sub 2}(high) mode shifted towards the higher wavenumbers, with maximum shift of 5.4 cm{sup −1} induced by 760 MeV Bi ion irradiation at ion fluence of 1 × 10{sup 12} ions/cm{sup 2}. The observed Raman shifts reveal the presence of lattice defects and disorder induced in the samples after irradiation by the swift heavy ions. This irradiation also generated lattice stress in the samples, which has been investigated and discussed in detail in this work.

  8. Spatially resolved resistivity near the vortex lattice phase transition in Bi 2Sr 2CaCu 2O 8+δ single crystals

    Science.gov (United States)

    Berseth, V.; Indenbom, M. V.; van der Beek, C. J.; D'Anna, G.; Benoit, W.

    1997-08-01

    Using a multiterminal contact configuration, we investigate the local variations of the resistivity drop near the vortex lattice first order phase transition in a very homogeneous Bi2Sr2CaCu2O8+δ (BSCCO) single crystal.

  9. The structural variation of rhombohedral LaAlO3 perovskite under non-hydrostatic stress fields in a diamond-anvil cell

    International Nuclear Information System (INIS)

    Zhao Jing; Angel, Ross J; Ross, Nancy L

    2011-01-01

    The structural variation of LaAlO 3 perovskite under non-hydrostatic stress developed in the pressure medium within a diamond-anvil cell was determined using single-crystal x-ray diffraction. The experimental results show that the lattice of LaAlO 3 becomes more distorted and deviates from the hydrostatic behavior as pressure is increased up to 7.5 GPa. The determination of the crystal structure further confirms that the octahedral AlO 6 groups become more distorted, but the octahedral rotation around the threefold axis decreases as under hydrostatic conditions. These experimental results can be reproduced from knowledge of the elastic tensor of the sample at ambient conditions and the stress state within the pressure medium. Further calculations for two other orientations also indicate that non-hydrostatic stress has only a small effect on the rotation of the AlO 6 octahedra towards zero, but non-hydrostatic stress inevitably leads to distortions in the crystal lattice and the AlO 6 octahedra. As a result, the crystal structure is eventually driven away from cubic symmetry under non-hydrostatic conditions, whereas it evolves towards cubic symmetry under hydrostatic pressure.

  10. First-principles studies on the pressure dependences of the stress-strain relationship and elastic stability of semiconductors

    International Nuclear Information System (INIS)

    Wang, S Q; Ye, H Q; Yip, S

    2006-01-01

    We investigate the stress-strain relationship and elastic stability of zinc-blende GaP, GaN, InP and BN lattices under hydrostatic pressure by first-principles calculation. A simple and direct ab initio implementation for studying the mechanical properties of cubic crystals is developed. The four phases' full-set stress-strain coefficients in wide pressure ranges are theoretically calculated. The fundamental mechanism of elastic stability and the origin of phase transformation under hydrostatic pressure are explored. We found that the abilities for most of these lattices are enhanced to sustain axial strain but weaken to shear strain under higher pressure. The conditions of lattice stability are analysed using both the thermodynamic work-energy criterion and the elastic-stiffness criteria. We show that the lattice collapse of the perfect crystals is caused by the disappearance of their bulk moduli under volume dilation. Lattice defects are considered to be the main reason causing phase transformation under pressure. The correlation between the phonon softening and the variation of elastic coefficients is studied. The pressure dependence of the Kleinman internal strain parameter and its relationship to elastic stability is also explored

  11. Coatings influencing thermal stress in photonic crystal fiber laser

    Science.gov (United States)

    Pang, Dongqing; Li, Yan; Li, Yao; Hu, Minglie

    2018-06-01

    We studied how coating materials influence the thermal stress in the fiber core for three holding methods by simulating the temperature distribution and the thermal stress distribution in the photonic-crystal fiber laser. The results show that coating materials strongly influence both the thermal stress in the fiber core and the stress differences caused by holding methods. On the basis of the results, a two-coating PCF was designed. This design reduces the stress differences caused by variant holding conditions to zero, then the stability of laser operations can be improved.

  12. Measurement of probability distributions for internal stresses in dislocated crystals

    Energy Technology Data Exchange (ETDEWEB)

    Wilkinson, Angus J.; Tarleton, Edmund; Vilalta-Clemente, Arantxa; Collins, David M. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Jiang, Jun; Britton, T. Benjamin [Department of Materials, Imperial College London, Royal School of Mines, Exhibition Road, London SW7 2AZ (United Kingdom)

    2014-11-03

    Here, we analyse residual stress distributions obtained from various crystal systems using high resolution electron backscatter diffraction (EBSD) measurements. Histograms showing stress probability distributions exhibit tails extending to very high stress levels. We demonstrate that these extreme stress values are consistent with the functional form that should be expected for dislocated crystals. Analysis initially developed by Groma and co-workers for X-ray line profile analysis and based on the so-called “restricted second moment of the probability distribution” can be used to estimate the total dislocation density. The generality of the results are illustrated by application to three quite different systems, namely, face centred cubic Cu deformed in uniaxial tension, a body centred cubic steel deformed to larger strain by cold rolling, and hexagonal InAlN layers grown on misfitting sapphire and silicon carbide substrates.

  13. Lattice sums then and now

    CERN Document Server

    Borwein, J M; McPhedran, R C

    2013-01-01

    The study of lattice sums began when early investigators wanted to go from mechanical properties of crystals to the properties of the atoms and ions from which they were built (the literature of Madelung's constant). A parallel literature was built around the optical properties of regular lattices of atoms (initiated by Lord Rayleigh, Lorentz and Lorenz). For over a century many famous scientists and mathematicians have delved into the properties of lattices, sometimes unwittingly duplicating the work of their predecessors. Here, at last, is a comprehensive overview of the substantial body of

  14. Great Disparity in Photoluminesence Quantum Yields of Colloidal CsPbBr3 Nanocrystals with Varied Shape: The Effect of Crystal Lattice Strain.

    Science.gov (United States)

    Zhao, Jiangtao; Liu, Mei; Fang, Li; Jiang, Shenlong; Zhou, Jingtian; Ding, Huaiyi; Huang, Hongwen; Wen, Wen; Luo, Zhenlin; Zhang, Qun; Wang, Xiaoping; Gao, Chen

    2017-07-06

    Understanding the big discrepancy in the photoluminesence quantum yields (PLQYs) of nanoscale colloidal materials with varied morphologies is of great significance to its property optimization and functional application. Using different shaped CsPbBr 3 nanocrystals with the same fabrication processes as model, quantitative synchrotron radiation X-ray diffraction analysis reveals the increasing trend in lattice strain values of the nanocrystals: nanocube, nanoplate, nanowire. Furthermore, transient spectroscopic measurements reveal the same trend in the defect quantities of these nanocrystals. These experimental results unambiguously point out that large lattice strain existing in CsPbBr 3 nanoparticles induces more crystal defects and thus decreases the PLQY, implying that lattice strain is a key factor other than the surface defect to dominate the PLQY of colloidal photoluminesence materials.

  15. Investigation of Bucket Wheel Excavator Lattice Structure Internal Stress in Harsh Environment through a Remote Measurement System

    Science.gov (United States)

    Risteiu, M.; Dobra, R.; Andras, I.; Roventa, M.; Lorincz, A.

    2017-06-01

    The paper shows the results of a lab model for strain gauges based measuring system for multiple measuring heads of the mechanical stress in lattice structures of the bucket wheel excavator for open pit mines-harsh environment. The system is designed around a microcontroller system. Because of specific working conditions, the measuring system sends data to a processing system (a PC with Matlab software), we have implemented a secure communication solution based on ISM standard, by using NRF24L01 module. The transceiver contains a fully integrated frequency synthesizer based on crystal oscillator, and a Enhanced ShockBurst™ protocol engine. The proposed solution has a current consumption around 9.0 mA at an output power of -6dBm and 12.3mA in RX mode. Built-in Power Down and Standby modes makes power saving easily realizable for our solution battery powered. The stress from structures is taken by specific strain gauges adapted to low frequency vibrations. We are using a precision 24-bit analog-to-digital converter (ADC) designed for weigh scales and industrial control applications to interface directly with a bridge sensor-instrumentation device, with low drift voltage, low noise, common mode rejection signal, frequency and temperature stability. As backup implementation for measurements a high speed storage implementation is used.

  16. Plastic deformation of tubular crystals by dislocation glide.

    Science.gov (United States)

    Beller, Daniel A; Nelson, David R

    2016-09-01

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

  17. Grain size and lattice parameter's influence on band gap of SnS thin nano-crystalline films

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Yashika [Department of Electronics, S.G.T.B. Khalsa College, University of Delhi, Delhi 110007 (India); Department of Electronic Science, University of Delhi-South Campus, New Delhi 110021 (India); Arun, P., E-mail: arunp92@physics.du.ac.in [Department of Electronics, S.G.T.B. Khalsa College, University of Delhi, Delhi 110007 (India); Naudi, A.A.; Walz, M.V. [Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina); Albanesi, E.A. [Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina); Instituto de Física del Litoral (CONICET-UNL), Guemes 3450, 3000 Santa Fe (Argentina)

    2016-08-01

    Tin sulphide nano-crystalline thin films were fabricated on glass and Indium Tin Oxide (ITO) substrates by thermal evaporation method. The crystal structure orientation of the films was found to be dependent on the substrate. Residual stress existed in the films due to these orientations. This stress led to variation in lattice parameter. The nano-crystalline grain size was also found to vary with film thickness. A plot of band-gap with grain size or with lattice parameter showed the existence of a family of curves. This implied that band-gap of SnS films in the preview of the present study depends on two parameters, lattice parameter and grain size. The band-gap relation with grain size is well known in the nano regime. Experimental data fitted well with this relation for the given lattice constants. The manuscript uses theoretical structure calculations for different lattice constants and shows that the experimental data follows the trend. Thus, confirming that the band gap has a two variable dependency. - Highlights: • Tin sulphide films are grown on glass and ITO substrates. • Both substrates give differently oriented films. • The band-gap is found to depend on grain size and lattice parameter. • Using data from literature, E{sub g} is shown to be two parameter function. • Theoretical structure calculations are used to verify results.

  18. Stress and strain fluctuations in plastic deformation of crystals with disordered microstructure

    International Nuclear Information System (INIS)

    Kapetanou, O; Zaiser, M; Weygand, D

    2015-01-01

    We investigate the spatial structure of stress and strain patterns in crystal plasticity. To this end, we combine theoretical arguments with plasticity simulations using three different models: (i) a generic model of bulk crystal plasticity with stochastic evolution of the local microstructure, (ii) a 2D discrete dislocation simulation assuming single-slip deformation in a bulk crystal, and (iii) a 3D discrete dislocation model for deformation of micropillars in multiple slip. For all three models we investigate the scale-dependent magnitude of local fluctuations of internal stress and plastic strain, and we determine the spatial structure of the respective auto- and cross-correlation functions. The investigations show that, in the course of deformation, nontrivial long range correlations emerge in the stress and strain patterns. We investigate the influence of boundary conditions on the observed spatial patterns of stress and strain, and discuss implications of our findings for larger-scale plasticity models. (paper)

  19. Elastic constants of stressed and unstressed materials in the phase-field crystal model

    Science.gov (United States)

    Wang, Zi-Le; Huang, Zhi-Feng; Liu, Zhirong

    2018-04-01

    A general procedure is developed to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase-field crystal (PFC) models. It is found that for a complete description of system response to elastic deformation, the variations of all the quantities of lattice wave vectors, their density amplitudes (including the corresponding anisotropic variation and degeneracy breaking), the average atomic density, and system volume should be incorporated. The quantitative and qualitative results of elastic constant calculations highly depend on the physical interpretation of the density field used in the model, and also importantly, on the intrinsic pressure that usually pre-exists in the model system. A formulation based on thermodynamics is constructed to account for the effects caused by constant pre-existing stress during the homogeneous elastic deformation, through the introducing of a generalized Gibbs free energy and an effective finite strain tensor used for determining the elastic constants. The elastic properties of both solid and liquid states can be well produced by this unified approach, as demonstrated by an analysis for the liquid state and numerical evaluations for the bcc solid phase. The numerical calculations of bcc elastic constants and Poisson's ratio through this method generate results that are consistent with experimental conditions, and better match the data of bcc Fe given by molecular dynamics simulations as compared to previous work. The general theory developed here is applicable to the study of different types of stressed or unstressed material systems under elastic deformation.

  20. Symmetry Groups of the Austenite Lattice and Construction of Self-Accommodation Complexes of Martensite Crystals in Alloys with the Shape-Memory Effect

    Science.gov (United States)

    Khundjua, A. G.; Ptitsin, A. G.; Brovkina, E. A.

    2018-01-01

    The internal structure of experimentally observed self-accommodation complexes of martensite crystals, which is determined by the system of twinning planes, is studied in this work. The direct correlation of the construction type of the complexes with the subgroups of the austenite lattice symmetry group is shown.

  1. Design and optical characterization of high-Q guided-resonance modes in the slot-graphite photonic crystal lattice.

    Science.gov (United States)

    Martínez, Luis Javier; Huang, Ningfeng; Ma, Jing; Lin, Chenxi; Jaquay, Eric; Povinelli, Michelle L

    2013-12-16

    A new photonic crystal structure is generated by using a regular graphite lattice as the base and adding a slot in the center of each unit cell to enhance field confinement. The theoretical Q factor in an ideal structure is over 4 × 10(5). The structure was fabricated on a silicon-on-insulator wafer and optically characterized by transmission spectroscopy. The resonance wavelength and quality factor were measured as a function of slot height. The measured trends show good agreement with simulation.

  2. Crystal Structure of Chicken γS-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the βγ-Crystallins.

    Science.gov (United States)

    Sagar, Vatsala; Chaturvedi, Sumit K; Schuck, Peter; Wistow, Graeme

    2017-07-05

    Previous attempts to crystallize mammalian γS-crystallin were unsuccessful. Native L16 chicken γS crystallized avidly while the Q16 mutant did not. The X-ray structure for chicken γS at 2.3 Å resolution shows the canonical structure of the superfamily plus a well-ordered N arm aligned with a β sheet of a neighboring N domain. L16 is also in a lattice contact, partially shielded from solvent. Unexpectedly, the major lattice contact matches a conserved interface (QR) in the multimeric β-crystallins. QR shows little conservation of residue contacts, except for one between symmetry-related tyrosines, but molecular dipoles for the proteins with QR show striking similarities while other γ-crystallins differ. In γS, QR has few hydrophobic contacts and features a thin layer of tightly bound water. The free energy of QR is slightly repulsive and analytical ultracentrifugation confirms no dimerization in solution. The lattice contacts suggest how γ-crystallins allow close packing without aggregation in the crowded environment of the lens. Published by Elsevier Ltd.

  3. Elastic neutron diffraction study of transforming and non-transforming single crystal ZrV2

    International Nuclear Information System (INIS)

    Bostock, J.; Wong, M.; MacVicar, M.L.A.; Levinson, M.

    1980-01-01

    The mosaic spread of single crystal ZrV 2 is unusually narrow, approx. 1' from room temperature to 130K. For non-transforming perfect single crystal the mosaic gradually increases to approx. 1.86' at 4.2K; for transforming, twinned single crystal the room temperature mosaic is maintained to 110K, then increases to 2.76' at 94K when the crystal transforms to a mixed cubic (30%) and rhombohedral state (70%). The onset of the electronic instability (approx. 100K) is accompanied by an increase in diffuse scattering background which, for the twinned crystal, peaks at the structural transformation. The electronic instability coupled to the localized lattice stress appears to be the driving mechanism for the transformation

  4. Environmental heat stress enhances crystallization in urine

    Science.gov (United States)

    Setyawan, H.; Pratiwi, Q. C.; Sjarifah, I.; Atmojo, T. B.; Khotijah

    2018-03-01

    Over the past several decades, agriculture and plantations have been used as the main livelihood of most of the Karanganyar residents. However, these two sources of living are now replaced by industrial areas that employ thousands of people in that district. The development of this industry triggers multiple environmental impacts, including ecosystem and temperature changes. In consequence, there is an increase in air temperature that can cause a variety of diseases, especially in the workplace. According to the International Labour Organization (ILO) data in 2013, one worker dies every 15 second due to a work accident and 160 workers are suffering from the occupational disease. In Indonesia, the incidence of crystallization in urine is actually still unknown, but it is estimated that there are 170,000 cases annually. A high temperature or called heat stress is one among many factors causing this disease to appear. The workers in the textile industry, especially in the Finishing Department Kusumahadi Co. Ltd that exposed heat stress from the finishing machines and inadequate ventilation. This hot working climate causes the human body to adapt in the form of body cooling mechanism or called sweating This adaptation can cause an increase in sweat production and decrease the production of urine. If it is not followed by consuming the recommended amount of water intake, it can result in the precipitation of body salts that, in a long time, will cause crystallization in urine. The research used the analytic observational designs for a cross-sectional study. There were 34 samples collected from 57 finishing workers. The data were analyzed using Spearman correlation test. The results showed that heat stress (p=0,015) and water intake (p=0,034) has a significant correlation with crystallization in urine.

  5. Lattice strain accompanying the colossal magnetoresistance effect in EuB6.

    Science.gov (United States)

    Manna, Rudra Sekhar; Das, Pintu; de Souza, Mariano; Schnelle, Frank; Lang, Michael; Müller, Jens; von Molnár, Stephan; Fisk, Zachary

    2014-08-08

    The coupling of magnetic and electronic degrees of freedom to the crystal lattice in the ferromagnetic semimetal EuB(6), which exhibits a complex ferromagnetic order and a colossal magnetoresistance effect, is studied by high-resolution thermal expansion and magnetostriction experiments. EuB(6) may be viewed as a model system, where pure magnetism-tuned transport and the response of the crystal lattice can be studied in a comparatively simple environment, i.e., not influenced by strong crystal-electric field effects and Jahn-Teller distortions. We find a very large lattice response, quantified by (i) the magnetic Grüneisen parameter, (ii) the spontaneous strain when entering the ferromagnetic region, and (iii) the magnetostriction in the paramagnetic temperature regime. Our analysis reveals that a significant part of the lattice effects originates in the magnetically driven delocalization of charge carriers, consistent with the scenario of percolating magnetic polarons. A strong effect of the formation and dynamics of local magnetic clusters on the lattice parameters is suggested to be a general feature of colossal magnetoresistance materials.

  6. Lattice location of platinum ions implanted into single crystal zirconia and their annealing behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Cao, D X [Royal Melbourne Inst. of Tech., VIC (Australia); Sood, D K [Academia Sinica, Shanghai, SH (China). Shanghai Inst. of Nuclear Research; Brown, I G [Lawrence Berkeley Lab., CA (United States)

    1994-12-31

    Single crystal samples of (100) oriented cubic zirconia stabilised with 9.5 mol % yttria were implanted with platinum ions, using a metal vapour vacuum arc (MEVVA) high current ion implanter, to a nominal dose of 1x10{sup 17} ions/cm{sup 2}. The implanted samples were annealed isothermally in air ambient at 1200 deg C, from 1-24 hours. Rutherford Backscattering Spectrometry and Channeling (RBSC) of 2 MeV He ions are employed to determine depth distributions of ion damage, Pt ions and substitutionality of Pt ions before and after annealing. The damage behaviour, Pt migration and lattice location are discussed in terms of metastable phase formation and solid solubility considerations. 7 refs., 3 figs.

  7. Lattice location of platinum ions implanted into single crystal zirconia and their annealing behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Cao, D.X. [Royal Melbourne Inst. of Tech., VIC (Australia); Sood, D.K. [Academia Sinica, Shanghai, SH (China). Shanghai Inst. of Nuclear Research; Brown, I.G. [Lawrence Berkeley Lab., CA (United States)

    1993-12-31

    Single crystal samples of (100) oriented cubic zirconia stabilised with 9.5 mol % yttria were implanted with platinum ions, using a metal vapour vacuum arc (MEVVA) high current ion implanter, to a nominal dose of 1x10{sup 17} ions/cm{sup 2}. The implanted samples were annealed isothermally in air ambient at 1200 deg C, from 1-24 hours. Rutherford Backscattering Spectrometry and Channeling (RBSC) of 2 MeV He ions are employed to determine depth distributions of ion damage, Pt ions and substitutionality of Pt ions before and after annealing. The damage behaviour, Pt migration and lattice location are discussed in terms of metastable phase formation and solid solubility considerations. 7 refs., 3 figs.

  8. Lattice location of O{sup 18} in ion implanted Fe crystals by Rutherford backscattering spectrometry, channeling and nuclear reaction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Vairavel, Mathayan; Sundaravel, Balakrishnan, E-mail: bsundar@igcar.gov.in; Panigrahi, Binaykumar

    2016-09-15

    There are contradictory theoretical predictions of lattice location of oxygen interstitial atom at tetrahedral and octahedral interstices in bcc Fe. For validating these predictions, 300 keV O{sup 18} ions with fluence of 5 × 10{sup 15} ions/cm{sup 2} are implanted into bcc Fe single crystals at room temperature and annealed at 400 °C. The Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA)/channeling measurements are carried out with 850 keV protons. The lattice location of implanted O{sup 18} is analysed using the α-particles yield from O{sup 18}(p,α)N{sup 15} nuclear reaction. The tilt angular scans of α-particle yield along 〈110〉 and 〈100〉 axial directions are performed at room temperature. Lattice location of O{sup 18} is found to be at tetrahedral interstitial site by comparing the experimental scan with simulated scans using FLUX7 software.

  9. 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

  10. 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

  11. Studying the effect of stress relaxation and creep on lattice strain evolution of stainless steel under tension

    International Nuclear Information System (INIS)

    Wang, H.; Clausen, B.; Tomé, C.N.; Wu, P.D.

    2013-01-01

    Due to relatively long associated count times, in situ strain measurements using neutron diffraction requires periodic interruption of the test to collect the diffraction data by holding either the stress or the strain constant. As a consequence, stress relaxation or strain creep induced by the interrupts is inevitable, especially at loads which are close to the flow stress of the material. An in situ neutron diffraction technique, which consists in performing the diffraction measurements using continuous event-mode data collection while conducting the mechanical loading monotonically with a very slow loading rate, is proposed here to avoid the effects associated with interrupts. The lattice strains in stainless steel under uniaxial tension are measured using the three techniques, and the experimental results are compared to study the effect of stress relaxation and strain creep on the lattice strain measurements. The experimental results are simulated using both the elastic viscoplastic self-consistent (EVPSC) model and the elastic plastic self-consistent (EPSC) model. Both the EVPSC and EPSC models give reasonable predictions for all the three tests, with EVPSC having the added advantage over EPSC that it allows us to address the relaxation and creep effects in the interrupted tests

  12. Effect of power history on the shape and the thermal stress of a large sapphire crystal during the Kyropoulos process

    Science.gov (United States)

    Nguyen, Tran Phu; Chuang, Hsiao-Tsun; Chen, Jyh-Chen; Hu, Chieh

    2018-02-01

    In this study, the effect of the power history on the shape of a sapphire crystal and the thermal stress during the Kyropoulos process are numerically investigated. The simulation results show that the thermal stress is strongly dependent on the power history. The thermal stress distributions in the crystal for all growth stages produced with different power histories are also studied. The results show that high von Mises stress regions are found close to the seed of the crystal, the highly curved crystal surface and the crystal-melt interface. The maximum thermal stress, which occurs at the crystal-melt interface, increases significantly in value as the crystal expands at the crown. After this, there is reduction in the maximum thermal stress as the crystal lengthens. There is a remarkable enhancement in the maximum von Mises stress when the crystal-melt interface is close to the bottom of the crucible. There are two obvious peaks in the maximum Von Mises stress, at the end of the crown stage and in the final stage, when cracking defects can form. To alleviate this problem, different power histories are considered in order to optimize the process to produce the lowest thermal stress in the crystal. The optimal power history is found to produce a significant reduction in the thermal stress in the crown stage.

  13. Influence of dislocations in solid-phase crystal lattices on structure and properties of an WC-9Co alloy

    International Nuclear Information System (INIS)

    Grewe, H.

    1976-01-01

    After theoretical considerations about evaluation of degree of dislocation concentration in crystal lattices two tungsten-carbide-powders are characterized by chemical reaction behaviour. The hard metal grades produced from the two carbide powders are tested by material and tool life investigation. The tungsten carbide powder with lower level of dislocation-concentration leads to a hardmetall-alloy with an equal microstructure and with favourable properties, especially with a good toughness and with an interesting tool life. (orig.) [de

  14. Rapid synthesis of nitrogen doped titania with mixed crystal lattice via microwave-assisted hydrothermal method

    International Nuclear Information System (INIS)

    Zhang Peilin; Liu Bin; Yin Shu; Wang Yuhua; Petrykin, Valery; Kakihana, Masato; Sato, Tsugio

    2009-01-01

    A microwave-assisted hydrothermal method was employed to synthesize nitrogen doped titania nanoparticles. Due to the high heating efficiency of microwave, rapid synthesis could be achieved in comparison with the conventional oven. Mixed crystal lattice was found existing in the obtained product, and the phase transformation behaviour under calcination was studied by XRD measurement together with Raman spectroscopy in details. The obtained nitrogen doped titania showed high specific surface area, about 300 m 2 g -1 . Photocatalytic activity in destructing NO x gas by the prepared sample exceeded that of commercial titania (P 25) or nitrogen doped titania synthesized by conventional hydrothermal method, under both visible-light and ultraviolet-light irradiation.

  15. Magnetic field effects on ultrafast lattice compression dynamics of Si(111) crystal when excited by linearly-polarized femtosecond laser pulses

    Science.gov (United States)

    Hatanaka, Koji; Odaka, Hideho; Ono, Kimitoshi; Fukumura, Hiroshi

    2007-03-01

    Time-resolved X-ray diffraction measurements of Si (111) single crystal are performed when excited by linearly-polarized femtosecond laser pulses (780 nm, 260 fs, negatively-chirped, 1 kHz) under a magnetic field (0.47 T). Laser fluence on the sample surface is 40 mJ/cm^2, which is enough lower than the ablation threshold at 200 mJ/cm^2. Probing X-ray pulses of iron characteristic X-ray lines at 0.193604 and 0.193998 nm are generated by focusing femtosecond laser pulses onto audio-cassette tapes in air. Linearly-polarized femtosecond laser pulse irradiation onto Si(111) crystal surface induces transient lattice compression in the picosecond time range, which is confirmed by transient angle shift of X-ray diffraction to higher angles. Little difference of compression dynamics is observed when the laser polarization is changed from p to s-pol. without a magnetic field. On the other hand, under a magnetic field, the lattice compression dynamics changes when the laser is p-polarized which is vertical to the magnetic field vector. These results may be assigned to photo-carrier formation and energy-band distortion.

  16. Lattice Boltzmann Simulation of Water Isotope Fractionation During Growth of Ice Crystals in Clouds

    Science.gov (United States)

    Lu, G.; Depaolo, D.; Kang, Q.; Zhang, D.

    2006-12-01

    The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically- symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over-saturation, determines crystal morphology, there are no existing quantitative models that directly relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be a direct relationship between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D Lattice-Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. The input parameters needed are the isotope-dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the sticking coefficient (or accommodation coefficient) for ice is uncertain. The ratio D/k is a length that determines the minimum scale of dendritic growth features and allows us to scale the numerical calculations to atmospheric conditions using a dimensionless Damkohler number

  17. Quality control on pre-serial Bridgman production of PbWO{sub 4} scintillating crystals by means of photoelasticity

    Energy Technology Data Exchange (ETDEWEB)

    Rinaldi, D., E-mail: d.rinaldi@univpm.i [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); INFN section of Perugia (Italy); Ciriaco, A. [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita' Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); Lebeau, M. [CERN PH department, 1211 Geneva 23 (Switzerland); Paone, N. [Dipartimento di Meccanica, Universita' Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy)

    2010-04-11

    Residual internal stresses in PbWO{sub 4} (PWO) scintillating crystals grown by Bridgman method have been systematically studied. Residual stresses induced during growth play an important role in production yield. Cracking probability during mechanical processing as well as stable mechanical properties in finished crystal are closely related to internal stress levels. A regular production of good-quality crystals requires a fast and easy feed-back on growth parameters. Samples from a pre-serial production were analyzed in order to give the producer a quality feed-back for process optimization. By means of photoelasticity, we measured residual stress distribution in several sections along the growth axis and for typical positions in every section. The stress analysis revealed defects occurring during the crystallization process, attributed to dislocations, lattice disorientation and poly-crystallinity. This work had been prompted by the need for quality monitoring of a pre-serial production of PWO for the CMS experiment at CERN's LHC. Mapping stress levels inside the ingot volume and proposing a synthetic parameter to be used as a quality indicator, the resulting analysis should contribute to parameter optimization and improve the growth performance. The proposed method may be useful in conventional crystal production.

  18. Electronic bandstructure of an incommensurate crystal

    International Nuclear Information System (INIS)

    Rasing, T.

    1984-06-01

    The consequences of an incommensurate lattice modulation on the electronic energy levels have been studied by optical transmission experiments on Rb 2 ZnBr 4 . The results are analyzed with a simple tight-binding model in which the superspace symmetry of the crystal is taken into account. The lattice translational symmetry of crystalline matter leads to the well known concepts of the Brillouin zones, Bloch electrons, phonons and the like. In a crystal where the lattice is periodically distorted with a period that is incommensurate with the underlying lattice, this translational symmetry is broken. Nonetheless, incommensurate crystals are perfectly ordered and can be described by higher dimensional so-called superspace groups. In this paper we will show how this superspace approach provides a natural framework to understand their electronic bandstructure as well. 5 references, 3 figures

  19. Laser guiding of cold atoms in photonic crystals

    International Nuclear Information System (INIS)

    Tarasishin, A V; Magnitskiy, Sergey A; Shuvaev, V A; Zheltikov, Aleksei M

    2000-01-01

    The possibility of using photonic crystals with a lattice defect for the laser guiding of cold atoms is analysed. We have found a configuration of a photonic-crystal lattice and a defect ensuring the distribution of a potential in the defect mode of the photonic crystal allowing the guiding of cold atoms along the defect due to the dipole force acting on atoms. Based on quantitative estimates, we have demonstrated that photonic crystals with a lattice defect permit the guiding of atoms with much higher transverse temperatures and a much higher transverse localisation degree than in the case of hollow-core fibres. (laser applications and other topics in quantum electronics)

  20. Effect of residual stress on the nanoindentation response of (100) copper single crystal

    International Nuclear Information System (INIS)

    Zhu, Li-na; Xu, Bin-shi; Wang, Hai-dou; Wang, Cheng-biao

    2012-01-01

    Experimental measurements were used to investigate the effect of residual stress on the nanoindentation of (100) copper single crystal. Equi-biaxial tensile and compressive stresses were applied to the copper single crystal using a special designed apparatus. It was found that residual stresses greatly affected peak load, curvature of the loading curve, elastically recovered depth, residual depth, indentation work, pile-up amount and contact area. The Suresh and Giannakopoulos and Lee and Kwon methods were used to calculate the residual stresses from load-depth data and morphology observation of nanoindents using atomic force microscopy. Comparison of the obtained results with stress values from strain gage showed that the residual stresses analyzed from the Suresh and Giannakopoulos model agreed well with the applied stresses. -- Highlights: ► Residual stresses greatly affected various nanoindentation parameters. ► The contact area can be accurately measured from AFM observation. ► The residual stresses analyzed from the S and G model agreed well with applied stresses.

  1. Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal

    Directory of Open Access Journals (Sweden)

    Hui Zhang

    2014-05-01

    Full Text Available In this paper, we have investigated the dependence of both the electromechanical effect and the electrostriction on the compressive stress in PMN-30%PT single crystal on the basis of single domain polarization rotation model. In the model, the electroelastic energy induced by the compressive stress is taken into account. The results have demonstrated that the compressive stress can lead to a significant change in the initial polarization state in the crystal. The reason lies in the stress induced anisotropy which is the coupling between the compressive stress and the electrostrictive coefficients. Thus, the initial polarization state in single crystal is determined by the combination of both electrocrystalline anisotropy and the stress induced anisotropy. The compressive stress along the [100] axis can make the polarization in the crystal be perpendicular to the stress direction, and make it difficult to be polarized to the saturation. This model is useful for better understanding both the polarization rotation and electromechanical effect in ferroelectric crystals with the compressive stress present.

  2. Deformation, Stress Relaxation, and Crystallization of Lithium Silicate Glass Fibers Below the Glass Transition Temperature

    Science.gov (United States)

    Ray, Chandra S.; Brow, Richard K.; Kim, Cheol W.; Reis, Signo T.

    2004-01-01

    The deformation and crystallization of Li(sub 2)O (center dot) 2SiO2 and Li(sub 2)O (center dot) 1.6SiO2 glass fibers subjected to a bending stress were measured as a function of time over the temperature range -50 to -150 C below the glass transition temperature (Tg). The glass fibers can be permanently deformed at temperatures about 100 C below T (sub)g, and they crystallize significantly at temperatures close to, but below T,, about 150 C lower than the onset temperature for crystallization for these glasses in the no-stress condition. The crystallization was found to occur only on the surface of the glass fibers with no detectable difference in the extent of crystallization in tensile and compressive stress regions. The relaxation mechanism for fiber deformation can be best described by a stretched exponential (Kohlrausch-Williams-Watt (KWW) approximation), rather than a single exponential model.The activation energy for stress relaxation, Es, for the glass fibers ranges between 175 and 195 kJ/mol, which is considerably smaller than the activation energy for viscous flow, E, (about 400 kJ/mol) near T, for these glasses at normal, stress-free condition. It is suspected that a viscosity relaxation mechanism could be responsible for permanent deformation and crystallization of the glass fibers below T,

  3. Effect of elastic anisotropy of crystal grain on stress intensity factor

    Energy Technology Data Exchange (ETDEWEB)

    Kamaya, Masayuki [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan)

    2002-09-01

    The stress intensity factor (SIF) is used widely for evaluating integrity of cracked components. Usually, the SIF obtained under isotropic elastic conditions is used for the evaluations. Although, macroscopic elastic behaviors of polycrystal materials can be considered isotropic, each crystal has anisotropic elastic properties. This implies that if the crack size is small and the influence of anisotropic elastic properties on the stress around cracks is significant, the SIF evaluated under anisotropic elastic conditions may differ from the SIF obtained under isotropic elastic conditions. In the present study, the effect of anisotropic elasticity on the SIF was evaluated by using the finite element analysis (FEA). First, the SIF of semi-circular cracks located in a single crystal was evaluated. It was found that the SIF is affected crystal orientation. Secondly, FEA using a polycrystal model was performed. It was found that the change in the SIF was caused by crack tip crystal orientation as well as the deformation constraint from neighboring crystals. Finally, the statistical tendency of change in the SIF caused by the anisotropic elastic properties and the relationship with crack size were examined. The influence of the local SIF on crack growth behavior is also discussed. (author)

  4. Effect of elastic anisotropy of crystal grain on stress intensity factor

    International Nuclear Information System (INIS)

    Kamaya, Masayuki

    2002-01-01

    The stress intensity factor (SIF) is used widely for evaluating integrity of cracked components. Usually, the SIF obtained under isotropic elastic conditions is used for the evaluations. Although, macroscopic elastic behaviors of polycrystal materials can be considered isotropic, each crystal has anisotropic elastic properties. This implies that if the crack size is small and the influence of anisotropic elastic properties on the stress around cracks is significant, the SIF evaluated under anisotropic elastic conditions may differ from the SIF obtained under isotropic elastic conditions. In the present study, the effect of anisotropic elasticity on the SIF was evaluated by using the finite element analysis (FEA). First, the SIF of semi-circular cracks located in a single crystal was evaluated. It was found that the SIF is affected crystal orientation. Secondly, FEA using a polycrystal model was performed. It was found that the change in the SIF was caused by crack tip crystal orientation as well as the deformation constraint from neighboring crystals. Finally, the statistical tendency of change in the SIF caused by the anisotropic elastic properties and the relationship with crack size were examined. The influence of the local SIF on crack growth behavior is also discussed. (author)

  5. First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

    Science.gov (United States)

    Tadano, Terumasa; Tsuneyuki, Shinji

    2018-04-01

    We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory, and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreement with experimental data is obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way of studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

  6. Stress-induced state transitions in flexible liquid-crystal devices

    International Nuclear Information System (INIS)

    Ho, I-Lin; Chang, Yia-Chung

    2012-01-01

    This work studies the stress-strain dynamics for the transient optoelectronic characteristics of flexible liquid-crystal (LC) devices. Due to the fast response of LC directors, the configuration of the LC is assumed to be in quasi-equilibrium during the process of elastic deformations of the flexible structures. The LC medium hence can be treated effectively as a thin-film layer and can approximately follow the strain-stress mechanism in the solids. Relevant theoretical algorithms are studied in this work, and numerical results present the stress-induced state transitions in the π cell.

  7. Grain scale stresses and strains determination by X-ray diffraction; Contribution a l'analyse par diffractometrie X des deformations et des contraintes a l'echelle des grains

    Energy Technology Data Exchange (ETDEWEB)

    Huang, W

    2007-03-15

    A new methodology for strain and stress analysis by X ray diffraction (XRD) in single crystal was developed. It can be applied to determine the second order stress (in grain scale) in single and multi-crystal material with non-cubic lattice. This method is based on the method Ortner I. It has introduced the metric tensor G which is deduced from the lattice space measured by XRD. In the developed method, when the crystal reference is non-orthonormal, an orthonormal reference associated with the crystal basis is defined, so all calculation could be done with usual calculation laws. The use of the least square method allows the acquisition of many more measurements than the six absolute necessary. Then a better metric tensor G is calculated and the statistical error is obtained. This developed method was applied in a bi crystal copper. The experimental results have shown that this method is also effective. The second order residuals stresses for coarse Zn grains in a galvanized coating were determined after annealing. The four coarse grains with different orientations were also characterized and demonstrated the elastic and plastic deformation mechanism in a grain or between the grains during in situ tensile loading. So this method is well able to determine the strains and stresses in grain scale in a mono crystal or multi crystal with any crystalline structure. (author)

  8. Residual Stress Measurement of Coarse Crystal Grain in Aluminium Casting Alloy by Neutron Diffraction

    International Nuclear Information System (INIS)

    Nishida, Masayuki; Watanabe, Yoshitaka; Hanabusa, Takao

    2009-01-01

    Full text: Neutron stress measurement can detect strain and stress information in deep region because of large penetration ability of neutron beams. The present paper describes procedure and results in the residual stress measurement of aluminium casting alloy by neutron diffraction. Usually, the aluminium casting alloy includes the large crystal grains. The existence of large crystal grains makes it difficult to estimate the residual stresses in highly accuracy. In this study, the modified three axial method using Hook's equation was employed for neutron stress measurement. These stress measurements were performed under the two kinds of new techniques. One is a rocking curve method to calculate the principal strains in three directions. The peak profiles which appear discretely on rocking curves were translated to principle stresses by the Bragg law and the basic elastic theory. Another is the consideration of measurement positions and the edge effect in the neutron irradiated area (volume gage). The edge effect generates the errors of 2θ-peak position in the neutron stress measurement. In this study, the edge effect was investigated in detail by a small bit of copper single crystal. The copper bit was moved and scanned on three dimensionally within the gage volume. Furthermore, the average strains of symmetrical positions are measure by the sample turning at 180 degrees, because the error distributions of the 2θ-peak position followed to positions inside the gage volume. Form these results of this study, the residual stresses in aluminium casting alloy which includes the large crystal grains were possible to estimate by neutron stress measurement with the rocking curve method and the correction of the edge effect. (author)

  9. Applications of X-ray fluorescence holography to determine local lattice distortions

    International Nuclear Information System (INIS)

    Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya

    2014-01-01

    Highlights: • We summarized topics of X-ray fluorescence holography focused on the local lattice distortions. • We found details of behaviors of nearest neighbor atoms around dopants. • We found the average distributions of the atoms at the individual sites in mixed crystals. • Distorted and undistorted sires sometimes coexist in a same mixed crystal. - Abstract: X-ray fluorescence holography (XFH) is a method for investigating atomic order up to the medium ranges, and can provide 3D atomic images around specific elements within a radius of nm order. In addition to these characteristics, XFH is sensitive to positional fluctuations of atoms, and therefore it is useful for characterizing the local lattice distortions around specific elements. We have applied XFH to dopants and mixed crystals. We found interesting features in local lattice distortions, such as the displacements of first-neighbor atoms around dopants, far-sighted views of the atomistic fluctuations in mixed crystals, and the coexistence of distorted/undistorted sites in the same material

  10. Stress-Induced Crystallization of Ge-Doped Sb Phase-Change Thin Films

    NARCIS (Netherlands)

    Eising, Gert; Pauza, Andrew; Kooi, Bart J.

    The large effects of moderate stresses on the crystal growth rate in Ge-doped Sb phase-change thin films are demonstrated using direct optical imaging. For Ge6Sb94 and Ge7Sb93 phase-change films, a large increase in crystallization temperature is found when using a polycarbonate substrate instead of

  11. Time-resolved X-ray diffraction studies of laser-induced acoustic wave propagation in bilayer metallic thin crystals

    Energy Technology Data Exchange (ETDEWEB)

    Er, Ali Oguz [Department of Physics and Astronomy, Western Kentucky University, Bowling Green, Kentucky 42101 (United States); Tang, Jau, E-mail: jautang@gate.sinica.edu.tw, E-mail: prentzepis@ece.tamu.edu [Research Center for Applied Sciences Academia Sinica, Taipei, Taiwan (China); Chen, Jie [Key Laboratory for Laser Plasmas (Ministry of Education) and Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Rentzepis, Peter M., E-mail: jautang@gate.sinica.edu.tw, E-mail: prentzepis@ece.tamu.edu [Department of Electrical and Computer Engineering, Texas A and M University, College Station, Texas 77843 (United States)

    2014-09-07

    Phonon propagation across the interface of a Cu/Ag(111) bilayer and transient lattice disorder, induced by a femtosecond 267 nm pulse, in Ag(111) crystal have been measured by means of time resolved X-ray diffraction. A “blast” force due to thermal stress induced by suddenly heated electrons is formed within two picoseconds after excitation and its “blast wave” propagation through the interface and Ag (111) crystal was monitored by the shift and broadening of the rocking curve, I vs. ω, as a function of time after excitation. Lattice disorder, contraction and expansion as well as thermal strain formation and wave propagation have also been measured. The experimental data and mechanism proposed are supported by theoretical simulations.

  12. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

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

    2018-04-01

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

  13. Diffraction Plane Dependence of Micro Residual Stresses in Uniaxially Extended Carbon Steels

    Directory of Open Access Journals (Sweden)

    T. Hanabusa

    2010-12-01

    Full Text Available In the stress measurement using X-ray or neutron diffraction, an elastic anisotropy as well as a plastic anisotropy of crystal must be carefully considered. In the X-ray and neutron diffraction stress measurement for polycrystalline materials, a particular {hkl} plane is used in measuring lattice strains. The dependence of an X-ray elastic constant on a diffraction plane is a typical example caused by an elastic anisotropy of the crystal. The yield strength and the work hardening rate of a single crystal depend on a crystallographic direction of the crystal. The difference in the yield strength and the work hardening rate relating to the crystallographic direction develops different residual stresses measured on each {hkl} diffraction after plastic deformation of a polycrystalline material. The present paper describes the result of the neutron stress measurement on uniaxially extended low and middle carbon steels. A tri-axial residual stress state developed in the extended specimens was measured on different kind of {hkl} diffraction plane. The measurement on the {110}, {200} and {211} diffraction showed that residual stresses increased with increasing the plastic elongation and the residual stresses on {110} were compressive, {200} were tensile and those on {211} were the middle of the former two planes.

  14. Ab initio calculations of ideal strength and lattice instability in W-Ta and W-Re alloys

    Science.gov (United States)

    Yang, Chaoming; Qi, Liang

    2018-01-01

    An important theoretical criterion to evaluate the ductility of metals with a body-centered cubic (bcc) lattice is the mechanical failure mode of their perfect crystals under tension along ; directions. When the tensile stress reaches the ideal tensile strength, the pure W crystal fails by a cleavage fracture along the {100 } plane so that it is intrinsically brittle. To discover the strategy to improve its ductility, we performed density functional theory and density functional perturbation theory calculations to study the ideal tensile strength and the lattice instability under tension for both W-Ta and W-Re alloys. Anisotropic linear elastic fracture mechanics (LEFM) theory and Rice's criterion were also applied to analyze the mechanical instability at the crack tip under tension based on the competition between cleavage propagation and dislocation emission. The results show that the intrinsic ductility can be achieved in both W-Ta and W-Re, however, by different mechanisms. Even though W-Ta alloys with low Ta concentrations are still intrinsically brittle, the intrinsic ductility of W-Ta alloys with high Ta concentrations is promoted by elastic shear instability before the cleavage failure. The intrinsic ductility of W-Re alloys is produced by unstable transverse phonon waves before the cleavage failure, and the corresponding phonon mode is related to the generation of 1/2 {2 ¯11 } dislocation in bcc crystals. The ideal tensile calculations, phonon analyses, and anisotropic LEFM examinations are mutually consistent in the evaluation of intrinsic ductility. These results bring us physical insights on the ductility-brittle mechanisms of W alloys under extreme stress conditions.

  15. Dramatic Improvement of Crystal Quality for Low-temperature-grown Rabbit Muscle Aldolase

    Energy Technology Data Exchange (ETDEWEB)

    Park, H.; Rangarajan, E; Sygusch, J; Izard, T

    2010-01-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA-LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 {angstrom} Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA-LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice.

  16. Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase.

    Science.gov (United States)

    Park, Hajeung; Rangarajan, Erumbi S; Sygusch, Jurgen; Izard, Tina

    2010-05-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA-LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 A Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA-LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice.

  17. Microprobe channeling analysis of pyrite crystals

    International Nuclear Information System (INIS)

    Jamieson, D.N.; Ryan, C.G.

    1992-01-01

    Nuclear microprobe analysis has provided much useful information about the composition of microscopic inclusions in minerals, mainly through the use of Particle Induced X-ray Emission (PIXE). However this technique, while powerful, does not provide any direct information about the chemical state, in particular the lattice location, of the elements in the mineral. This information is often of crucial importance in understanding the ore genesis. The technique of ion channeling may be used to identify lattice location, but many minerals occur as microscopic crystals. Therefore it is necessary to utilize a nuclear microprobe with the technique of Channeling Contrast Microscopy (CCM). As many minerals contain interesting trace elements, it is necessary to measure both the yield of backscattered particles and the induced x-rays to get a clear picture of the lattice location of the elements in the crystal. CCM with PIXE was used to analyse natural pyrite crystals containing a variety of substitutional and non-substitutional elements and natural pyrite crystals from a gold bearing ore. In the latter case, evidence was obtained for two habits for Au in the 400 μm crystals: one as inclusions of Au rich minerals, the other substituted on the pyrite lattice sites. 31 refs., 3 tabs., 6 figs

  18. Internal space decimation for lattice gauge theories

    International Nuclear Information System (INIS)

    Flyvbjerg, H.

    1984-01-01

    By a systematic decimation of internal space lattice gauge theories with continuous symmetry groups are mapped into effective lattice gauge theories with finite symmetry groups. The decimation of internal space makes a larger lattice tractable with the same computational resources. In this sense the method is an alternative to Wilson's and Symanzik's programs of improved actions. As an illustrative test of the method U(1) is decimated to Z(N) and the results compared with Monte Carlo data for Z(4)- and Z(5)-invariant lattice gauge theories. The result of decimating SU(3) to its 1080-element crystal-group-like subgroup is given and discussed. (orig.)

  19. Modulated magnetic structure of an inhomogeneous stressed single crystal FeBO3

    International Nuclear Information System (INIS)

    Sharipiv, M.Z.; Dzhuraev, D.R.; Sokolov, B.Yu.; Kurbanov, M.

    2010-01-01

    With the help of low-symmetry mechanical stresses, we induced an additional spatially inhomogeneous anisotropy in the basal plane of a single crystal FeBO 3 . By the magnetooptical method, we study the effect of an inhomogeneous magnetic anisotropy on the magnetic state of this easy-plane weak ferromagnetic. It is established that, at the magnetization of inhomogeneously stressed FeBO 3 in the basal plane near some separated direction, the crystal transits from the homogeneous state into a spatially modulated magnetic state. The latter can be represented in the form of a static spin wave, in which a local vector of ferromagnetism oscillates near the direction of the mean magnetization of a crystal, by remaining in the basal plane.

  20. Influence of macroscopic shear deformation on polygonization and recrystallization of molybdenum crystals

    International Nuclear Information System (INIS)

    Larikov, L.N.; Belyakova, M.N.; Maksimenko, E.A.; Mudruk, P.V.

    1984-01-01

    The effect of shear bands on polygonization and recrystallization is studied on molybdenum monocrystals deformed by compression. A sharp bend of the lattice is shown to be a structural condition necessary for arising the shear step. Internal stress relaxation strongly changes kinetics of softening processes in compressed molybdenum crystals: it slows down polygonization under low-temperature heating (below 700 deg C) and accelerates it under high-temperature heating (higher 1000 deg C). Under the effect of relaxation of internal streses recrystallization in the investigated crystals is similar to dynamical: recrystallized grains are distorted and they have a developed substructure

  1. Nuclear reaction analysis of Ge ion-implanted ZnO bulk single crystals: The evaluation of the displacement in oxygen lattices

    Science.gov (United States)

    Kamioka, K.; Oga, T.; Izawa, Y.; Kuriyama, K.; Kushida, K.; Kinomura, A.

    2014-08-01

    The displacement of oxygen lattices in Ge ion-implanted ZnO bulk single crystals is studied by nuclear reaction analysis (NAR), photoluminescence (PL), and Van der Pauw methods. The Ge ion-implantation (net concentration: 2.6 × 1020 cm-3) into ZnO is performed using a multiple-step energy. The high resistivity of ∼103 Ω cm in un-implanted samples remarkably decreased to ∼10-2 Ω cm after implanting Ge-ion and annealing subsequently. NRA measurements of as-implanted and annealed samples suggest the existence of the lattice displacement of O atoms acting as acceptor defects. As O related defects still remain after annealing, these defects are not attributed to the origin of the low resistivity in 800 and 1000 °C annealed ZnO.

  2. The refractometry of the mechanically stressed RbNH4SO4 crystals

    International Nuclear Information System (INIS)

    Stadnik, V.J.; Romanyuk, M.O.

    2001-01-01

    The temperature (77-300K) and spectral (300-700hm) dependencies of refractive indices n i of mechanically unstressed and stressed by the pressures along general crystallophysic directions RbNH 4 SO 4 crystals were studied.the refractive indices were observed to decrease under pressure.The temperature and spectral dependencies of piezooptic constants were investigated.The changes of refraction,electron polarizability and the position of ultraviolet absorption effective center were calculated.The temperature and spectral dependencies of birefringence sign inversion of the mechanically unstressed and stressed RbNH 4 SO 4 crystals were analyzed

  3. Photon-phonon interaction in photonic crystals

    International Nuclear Information System (INIS)

    Ueta, T

    2010-01-01

    Photon-phonon interaction on the analogy of electron-phonon interaction is considered in one-dimensional photonic crystal. When lattice vibration is artificially introduced to the photonic crystal, a governing equation of electromagnetic field is derived. A simple model is numerically analysed and the following novel phenomena are found out. The lattice vibration generates the light of frequency which added the integral multiple of the vibration frequency to that of the incident wave and also amplifies the incident wave resonantly. On a resonance, the amplification factor increases very rapidly with the number of layers increases. Resonance frequencies change with the phases of lattice vibration. The amplification phenomenon is analytically discussed for low frequency of the lattice vibration.

  4. Photonic Crystal Laser-Driven Accelerator Structures

    International Nuclear Information System (INIS)

    Cowan, B

    2004-01-01

    The authors discuss simulated photonic crystal structure designs for laser-driven particle acceleration. They focus on three-dimensional planar structures based on the so-called ''woodpile'' lattice, demonstrating guiding of a speed-of-light accelerating mode by a defect in the photonic crystal lattice. They introduce a candidate geometry and discuss the properties of the accelerating mode. They also discuss the linear beam dynamics in the structure present a novelmethod for focusing the beam. In addition they describe ongoing investigations of photonic crystal fiber-based structures

  5. Ion Transport and Precipitation Kinetics as Key Aspects of Stress Generation on Pore Walls Induced by Salt Crystallization

    Science.gov (United States)

    Naillon, A.; Joseph, P.; Prat, M.

    2018-01-01

    The stress generation on pore walls due to the growth of a sodium chloride crystal in a confined aqueous solution is studied from evaporation experiments in microfluidic channels in conjunction with numerical computations of crystal growth. The study indicates that the stress buildup on the pore walls is a highly transient process taking place over a very short period of time (in less than 1 s in our experiments). The analysis makes clear that what matters for the stress generation is not the maximum supersaturation at the onset of the crystal growth but the supersaturation at the interface between the solution and the crystal when the latter is about to be confined between the pore walls. The stress generation is summarized in a simple stress diagram involving the pore aspect ratio and the Damkhöler number characterizing the competition between the precipitation reaction kinetics and the ion transport towards the growing crystal. This opens up the route for a better understanding of the damage of porous materials induced by salt crystallization, an important issue in Earth sciences, reservoir engineering, and civil engineering.

  6. Multiplicative congruential generators, their lattice structure, its relation to lattice-sublattice transformations and applications in crystallography

    Science.gov (United States)

    Hornfeck, W.; Harbrecht, B.

    2009-11-01

    An analysis of certain types of multiplicative congruential generators - otherwise known for their application to the sequential generation of pseudo-random numbers - reveals their relation to lattice-sublattice transformations and the coordinate description of crystal structures.

  7. Radiation induced color in topaz crystals

    International Nuclear Information System (INIS)

    Castagnet, A.C.; Rocca, H.C.C.; Rostilato, M.E.C.M.

    1989-08-01

    The presence of defects and impurities in the crystal lattice alters the eletric field distribution within the crystal, allowing the electrons to occupy energy levels in the forbbiden band. Ionizing radiation supply the required energy to permit the electrons originaly bound to lattice atoms, to occupy effectively those intermediate levels, forming color centers. Dependig upon the nature and energy of the radiation, it is possible to produce defects in regions of the crystal, generating color centers. Based on these premises, a technique to induce color in originally colorless topaz, by using the IEA-R1 nuclear reactor, was developed at Engineering and Industrial Application Department (TE). Samples were irradiated inside iron capsules coated with cadmium foils. The iron, and principaly the cadmium, absorb the thermal neutrons that could activate crystal impurities generating long-lived radioisotopes. The epithermal neutrons that overpass the iron and cadmium barriers interact with the crystal atoms, causing lattice defects which give rise to color center, by subsequent ionization processes. The procedure used at TE induces permanent blue color, in natural colorless topaz. (author) [pt

  8. Thermal stress resistance of ion implanted sapphire crystals

    International Nuclear Information System (INIS)

    Gurarie, V.N.; Jamieson, D.N.; Szymanski, R.; Orlov, A.V.; Williams, J.S.; Conway, M.

    1999-01-01

    Monocrystals of sapphire have been subjected to ion implantation with 86 keV Si - and 80 keV Cr - ions to doses in the range of 5x10 14 -5x10 16 cm -2 prior to thermal stress testing in a pulsed plasma. Above a certain critical dose ion implantation is shown to modify the near-surface structure of samples by introducing damage, which makes crack nucleation easier under the applied stress. The effect of ion dose on the stress resistance is investigated and the critical doses which produce a noticeable change in the stress resistance are determined. The critical dose for Si ions is shown to be much lower than that for Cr - ions. However, for doses exceeding 2x10 16 cm -2 the stress resistance parameter decreases to approximately the same value for both implants. The size of the implantation-induced crack nucleating centers and the density of the implantation-induced defects are considered to be the major factors determining the stress resistance of sapphire crystals irradiated with Si - and Cr - ions

  9. Dramatic improvement of crystal quality for low-­temperature-grown rabbit muscle aldolase

    Science.gov (United States)

    Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

    2010-01-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA–LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice. PMID:20445268

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhuqing [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Stoica, Alexandru D. [Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Ma, Dong, E-mail: dongma@ornl.gov [Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Beese, Allison M., E-mail: amb961@psu.edu [Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)

    2016-09-30

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

  12. Micro-stress dominant displacive reconstructive transition in lithium aluminate

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Qiwei; Yan, Xiaozhi; Zhang, Leilei; Peng, Fang [Institute of Atomic and Molecular Physics, Sichuan University, 610065 Chengdu (China); Lei, Li, E-mail: lei@scu.edu.cn; He, Duanwei [Institute of Atomic and Molecular Physics, Sichuan University, 610065 Chengdu (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, 610065 Chengdu (China); Li, Xiaodong [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

    2016-08-15

    It is supposed that diffusive reconstructive transitions usually take place under hydrostatic pressure or low stresses, and displacive reconstructive phase transitions easily occur at nonhydrostatic pressure. Here, by in-situ high pressure synchrotron X-ray diffraction and single-crystal Raman scattering studies on lithium aluminate at room temperature, we show that the reconstructive transition mechanism is dependent on the internal microscopic stresses rather than the macroscopic stresses. In this case, even hydrostatic pressure can favor the displacive transition if the compressibility of crystal is anisotropic. During hydrostatic compression, γ-LiAlO{sub 2} transforms to δ-LiAlO{sub 2} at about 4 GPa, which is much lower than that in previous nonhydrostatic experiments (above 9 GPa). In the region where both phases coexist, there are enormous microscopic stresses stemming from the lattice mismatch, suggesting that this transition is displacive. Furthermore, the atomic picture is drawn with the help of the shear Raman modes.

  13. Resolved shear stress intensity coefficient and fatigue crack growth in large crystals

    Science.gov (United States)

    Chen, QI; Liu, Hao-Wen

    1988-01-01

    Fatigue crack growth in large grain Al alloy was studied. Fatigue crack growth is caused primarily by shear decohesion due to dislocation motion in the crack tip region. The crack paths in the large crystals are very irregular and zigzag. The crack planes are often inclined to the loading axis both in the inplane direction and the thickness direction. The stress intensity factors of such inclined cracks are approximated from the two dimensional finite element calculations. The plastic deformation in a large crystal is highly anisotropic, and dislocation motion in such crystals are driven by the resolved shear stress. The resolved shear stress intensity coefficient in a crack solid, RSSIC, is defined, and the coefficients for the slip systems at a crack tip are evaluated from the calculated stress intensity factors. The orientations of the crack planes are closely related to the slip planes with the high RSSIC values. If a single slip system has a much higher RSSIC than all the others, the crack will follow the slip plane, and the slip plane becomes the crack plane. If two or more slip systems have a high RSSIC, the crack plane is the result of the decohesion processes on these active slip planes.

  14. Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube

    Science.gov (United States)

    Sein, Lawrence T., Jr.; Sein, Sarajane E.

    2015-01-01

    A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall three-dimensional structure. Students and instructors can view the models in use on the popular…

  15. X-ray diffraction study of thermally and stress-induced phase transformations in single crystalline Ni-Mn-Ga alloys

    International Nuclear Information System (INIS)

    Martynov, V.V.

    1995-01-01

    Using in-situ single crystal X-ray diffraction methods, thermally- and stress-induced crystal structure evolution was investigated in two Ni-Mn-Ga Heusler-type alloys. For the 51at.%Ni-24at.%Mn-25at.%Ga alloy it was found that application of external stress in a temperature range ∼20 C above the M s at first causes intensity changes of X-ray diffuse scattering peaks in β-phase. Further stressing results in stress-induced phase transformations and under the appropriate conditions three successive martensitic transformations (one is parent-to-martensite and two are martensite-to-martensite transformations) can be stress induced. Of these only the parent-to-martensite transformation can be thermally-induced. Two successive structural transformations (thermally-induced parent-to-martensite and stress-induced martensite-to-martensite transformations) were found in 52at.%Ni-25at.%Mn-23at.%Ga alloy. Crystal structure, lattice parameters, type of modulation, and the length of modulation period for all martensites were identified. (orig.)

  16. Crystal plasticity modeling of irradiation growth in Zircaloy-2

    Science.gov (United States)

    Patra, Anirban; Tomé, Carlos N.; Golubov, Stanislav I.

    2017-08-01

    A physically based reaction-diffusion model is implemented in the visco-plastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. The reaction-diffusion model accounts for the defects produced by the cascade of displaced atoms, their diffusion to lattice sinks and the contribution to crystallographic strain at the level of single crystals. The VPSC framework accounts for intergranular interactions and irradiation creep, and calculates the strain in the polycrystalline ensemble. A novel scheme is proposed to model the simultaneous evolution of both, number density and radius, of irradiation-induced dislocation loops directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behaviour of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture and external stress on the coupled irradiation growth and creep behaviour are also studied and compared with available experimental data.

  17. Nuclear reaction analysis of Ge ion-implanted ZnO bulk single crystals: The evaluation of the displacement in oxygen lattices

    Energy Technology Data Exchange (ETDEWEB)

    Kamioka, K.; Oga, T.; Izawa, Y. [College of Engineering and Research Center of Ion Beam Technology, Hosei University, Koganei, Tokyo 184-8584 (Japan); Kuriyama, K., E-mail: kuri@ionbeam.hosei.ac.jp [College of Engineering and Research Center of Ion Beam Technology, Hosei University, Koganei, Tokyo 184-8584 (Japan); Kushida, K. [Department of Arts and Science, Osaka Kyouiku University, Kashiwara, Osaka 582-8582 (Japan); Kinomura, A. [National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki 305-8568 (Japan)

    2014-08-01

    The displacement of oxygen lattices in Ge ion-implanted ZnO bulk single crystals is studied by nuclear reaction analysis (NAR), photoluminescence (PL), and Van der Pauw methods. The Ge ion-implantation (net concentration: 2.6 × 10{sup 20} cm{sup −3}) into ZnO is performed using a multiple-step energy. The high resistivity of ∼10{sup 3} Ω cm in un-implanted samples remarkably decreased to ∼10{sup −2} Ω cm after implanting Ge-ion and annealing subsequently. NRA measurements of as-implanted and annealed samples suggest the existence of the lattice displacement of O atoms acting as acceptor defects. As O related defects still remain after annealing, these defects are not attributed to the origin of the low resistivity in 800 and 1000 °C annealed ZnO.

  18. Photographic appraisal of crystal lattice growth technique

    Directory of Open Access Journals (Sweden)

    Kapoor D

    2005-01-01

    Full Text Available Concept of creating mechanical retention for bonding through crystal growth has been successfully achieved in the present study. By using polyacrylic acid, sulphated with sulphuric acid as etchant, abundant crystal growth was demonstrated. Keeping in view the obvious benefits of crystal growth technique, the present SEM study was aimed to observe and compare the changes brought about by different etching agents (phosphoric acid, polyacrylic acid and polyacrylic acid sulphated and to evaluate their advantages and disadvantages in an attempt to reduce iatrogenic trauma caused due to surface enamel alteration. Control and experimental groups were made of 24 and 30 premolars, respectively, for scanning electron microscopic appraisal of normal unetched and etched enamel surface and fracture site and finished surface evaluation. When compared with conventional phosphoric acid and weaker polyacrylic acid, investigations indicated that crystal growth treatment on enamel surface caused minimal iatrogenic trauma and surface alteration were restored to the original untreated condition to a large extent.

  19. Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride.

    Science.gov (United States)

    Agilandeshwari, R; Muthu, K; Meenatchi, V; Meena, K; Rajasekar, M; Aditya Prasad, A; Meenakshisundaram, S P

    2015-02-25

    The influence of Sr(II)-doping on the properties of tetrakis(thiourea)nickel(II) chloride (TTNC) has been described. The reduction in the intensity observed in powder X-ray diffraction of doped specimen and slight shifts in vibrational frequencies of doped specimens confirm the lattice stress as a result of doping. Surface morphological changes due to doping of the Sr(II) are observed by scanning electron microscopy. The incorporation of metal into the host crystal lattice was confirmed by energy dispersive X-ray spectroscopy. Lattice parameters are determined by single crystal XRD analysis. The thermogravimetric and differential thermal analysis studies reveal the purity of the materials and no decomposition is observed up to the melting point. The nonlinear optical properties of the doped and undoped specimens were studied. Theoretical calculations were performed using the Density functional theory (DFT) method with B3LYP/LANL2DZ as the basis set. The molecular geometry and vibrational frequencies of TTNC in the ground state were calculated and the observed structural parameters of TTNC are compared with parameters obtained from single crystal X-ray studies. The atomic charge distributions are obtained by Mulliken charge population analysis. The first-order molecular hyperpolarizability, polarizability and dipole moment were derived. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Gate-tunable gigantic lattice deformation in VO2

    International Nuclear Information System (INIS)

    Okuyama, D.; Hatano, T.; Nakano, M.; Takeshita, S.; Ohsumi, H.; Tardif, S.; Shibuya, K.; Yumoto, H.; Koyama, T.; Ohashi, H.; Takata, M.; Kawasaki, M.; Tokura, Y.; Iwasa, Y.; Arima, T.

    2014-01-01

    We examined the impact of electric field on crystal lattice of vanadium dioxide (VO 2 ) in a field-effect transistor geometry by in-situ synchrotron x-ray diffraction measurements. Whereas the c-axis lattice parameter of VO 2 decreases through the thermally induced insulator-to-metal phase transition, the gate-induced metallization was found to result in a significant increase of the c-axis length by almost 1% from that of the thermally stabilized insulating state. We also found that this gate-induced gigantic lattice deformation occurs even at the thermally stabilized metallic state, enabling dynamic control of c-axis lattice parameter by more than 1% at room temperature

  1. Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase

    International Nuclear Information System (INIS)

    Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

    2010-01-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA–LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice

  2. Spin-1 and -2 bilayer Bethe lattice: A Monte Carlo study

    International Nuclear Information System (INIS)

    Masrour, R.; Jabar, A.; Benyoussef, A.; Hamedoun, M.

    2016-01-01

    The magnetic behaviors of bilayer with spin-1 and 2 Ising model on the Bethe lattice are investigated using the Monte Carlo simulations. The thermal magnetizations, the magnetic susceptibilities and the transition temperature of the bilayer spin-1 and 2 on the Bethe lattice are studied for different values of crystal field and intralayer coupling constants of the two layers and interlayer coupling constant between the layers. The thermal and magnetic hysteresis cycles are given for different values of the crystal field, for different temperatures and for different exchange interactions. - Highlights: • The magnetic properties of bilayer on the Bethe lattice have been investigated. • The transition temperature has been deduced. • The magnetic coercive filed has been established.

  3. Spin-1 and -2 bilayer Bethe lattice: A Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-03-01

    The magnetic behaviors of bilayer with spin-1 and 2 Ising model on the Bethe lattice are investigated using the Monte Carlo simulations. The thermal magnetizations, the magnetic susceptibilities and the transition temperature of the bilayer spin-1 and 2 on the Bethe lattice are studied for different values of crystal field and intralayer coupling constants of the two layers and interlayer coupling constant between the layers. The thermal and magnetic hysteresis cycles are given for different values of the crystal field, for different temperatures and for different exchange interactions. - Highlights: • The magnetic properties of bilayer on the Bethe lattice have been investigated. • The transition temperature has been deduced. • The magnetic coercive filed has been established.

  4. The spin-3/2 Ising model AFM/AFM two-layer lattice with crystal field

    International Nuclear Information System (INIS)

    Yigit, A.; Albayrak, E.

    2010-01-01

    The spin-3/2 Ising model is investigated for the case of antiferromagnetic (AFM/AFM) interactions on the two-layer Bethe lattice by using the exact recursion relations in a pairwise approach for given coordination numbers q=3, 4 and 6 when the layers are under the influences of equal external magnetic and equal crystal fields. The ground state (GS) phase diagrams are obtained on the different planes in detail and then the temperature dependent phase diagrams of the system are calculated accordingly. It is observed that the system presents both second- and first-order phase transitions for all q, therefore, tricritical points. It was also found that the system exhibits double-critical end points and isolated points. The model also presents two Neel temperatures, TN, and the existence of which leads to the reentrant behavior.

  5. Engineering the near-field imaging of a rectangular-lattice photonic-crystal slab in the second band

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Imaging properties of a two-dimensional rectangular-lattice photonic crystal (PC) slab consisting of air holes immersed in a dielectric are studied in this work. The field patterns of electromagnetic waves radiated from a point source through the PC slab are calculated with the finite-difference time-domain method. Comparing the field patterns with the corresponding equifrequency-surface contours simulated by the plane-wave expansion method, we find that an excellent-quality near-field image may be formed through the PC slab by the mechanisms of the simultaneous action of the self-collimation effect and the negative-refraction effect. Near-field imaging may be obtained within two different frequency regions in two vertical directions of the PC slab.

  6. Lattice dynamics approach to determine the dependence of the time-of-flight of transversal polarized acoustic waves on external stress

    Science.gov (United States)

    Tarar, K. S.; Pluta, M.; Amjad, U.; Grill, W.

    2011-04-01

    Based on the lattice dynamics approach the dependence of the time-of-flight (TOF) on stress has been modeled for transversal polarized acoustic waves. The relevant dispersion relation is derived from the appropriate mass-spring model together with the dependencies on the restoring forces including the effect of externally applied stress. The lattice dynamics approach can also be interpreted as a discrete and strictly periodic lumped circuit. In that case the modeling represents a finite element approach. In both cases the properties relevant for wavelengths large with respect to the periodic structure can be derived from the respective limit relating also to low frequencies. The model representing a linear chain with stiffness to shear and additional stiffness introduced by extensional stress is presented and compared to existing models, which so far represent each only one of the effects treated here in combination. For a string this effect is well known from musical instruments. The counteracting effects are discussed and compared to experimental results.

  7. Crystal structure and magnetic susceptibility of UOSe single crystals

    International Nuclear Information System (INIS)

    Kaczorowski, D.; Muenster Univ.; Poettgen, R.; Jeitschko, W.; Gajek, Z.; Zygmunt, A.

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T N =100±2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author)

  8. Crystal structure and magnetic susceptibility of UOSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaczorowski, D. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Poettgen, R.; Jeitschko, W. (Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Gajek, Z.; Zygmunt, A. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research)

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T[sub N]=100[+-]2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author).

  9. Low temperature anomalies in the lattice parameters of rare earth compounds and UPd3

    International Nuclear Information System (INIS)

    Pluemacher, D.

    1980-01-01

    Using a low temperature diffractometer, intermediate valence effects and crystal defects can be identified from the temperature dependence of the lattice parameters and the Debye-Waller factor. For polycrystalline powder samples the measuring error are too large. For intermediate valence systems the relative change in the 4f-level population probability can be calculated together with the anisotropic effects on the lattice parameters and on the unit cell colume. Pronounced effects on the lattice parameters can be observed in the case of RE Cu 2 Si 2 compounds with crystal fields. (DG) [de

  10. Creation of tunable absolute bandgaps in a two-dimensional anisotropic photonic crystal modulated by a nematic liquid crystal

    International Nuclear Information System (INIS)

    Liu Chenyang

    2008-01-01

    Photonic crystals (PCs) have many potential applications because of their ability to control light-wave propagation. We have investigated the tunable absolute bandgap in a two-dimensional anisotropic photonic crystal structures modulated by a nematic liquid crystal. The PC structure composed of an anisotropic-dielectric cylinder in the liquid crystal medium is studied by solving Maxwell's equations using the plane wave expansion method. The photonic band structures are found to exhibit absolute bandgaps for the square and triangular lattices. Numerical simulations show that the absolute bandgaps can be continuously tuned in the square and triangular lattices consisting of anisotropic-dielectric cylinders by infiltrating nematic liquid crystals. Such a mechanism of bandgap adjustment should open up a new application for designing components in photonic integrated circuits

  11. Computer Aided Design of Ni-Based Single Crystal Superalloy for Industrial Gas Turbine Blades

    Science.gov (United States)

    Wei, Xianping; Gong, Xiufang; Yang, Gongxian; Wang, Haiwei; Li, Haisong; Chen, Xueda; Gao, Zhenhuan; Xu, Yongfeng; Yang, Ming

    The influence of molybdenum, tungsten and cobalt on stress-rupture properties of single crystal superalloy PWA1483 has been investigated using the simulated calculation of JMatPro software which ha s been widely used to develop single crystal superalloy, and the effect of alloying element on the stability of strengthening phase has been revealed by using the Thermo-Calc software. Those properties calculation results showed that the increasing of alloy content could facilitate the precipitation of TCP phases and increase the lattice misfit between γ and γ' phase, and the effect of molybdenum, tantalum was the strongest and that of cobalt was the weakest. Then the chemical composition was optimized, and the selected compositions showed excellent microstructure stability and stress-rupture properties by the confirmation of d-electrons concept and software calculation.

  12. 3D DNA Origami Crystals.

    Science.gov (United States)

    Zhang, Tao; Hartl, Caroline; Frank, Kilian; Heuer-Jungemann, Amelie; Fischer, Stefan; Nickels, Philipp C; Nickel, Bert; Liedl, Tim

    2018-05-18

    3D crystals assembled entirely from DNA provide a route to design materials on a molecular level and to arrange guest particles in predefined lattices. This requires design schemes that provide high rigidity and sufficiently large open guest space. A DNA-origami-based "tensegrity triangle" structure that assembles into a 3D rhombohedral crystalline lattice with an open structure in which 90% of the volume is empty space is presented here. Site-specific placement of gold nanoparticles within the lattice demonstrates that these crystals are spacious enough to efficiently host 20 nm particles in a cavity size of 1.83 × 10 5 nm 3 , which would also suffice to accommodate ribosome-sized macromolecules. The accurate assembly of the DNA origami lattice itself, as well as the precise incorporation of gold particles, is validated by electron microscopy and small-angle X-ray scattering experiments. The results show that it is possible to create DNA building blocks that assemble into lattices with customized geometry. Site-specific hosting of nano objects in the optically transparent DNA lattice sets the stage for metamaterial and structural biology applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Structure and lattice dynamics in non-centrosymmetric borates; Struktur und Gitterdynamik in azentrischen Boraten

    Energy Technology Data Exchange (ETDEWEB)

    Stein, W.D.R.

    2007-04-23

    directions the dispersion was investigated to a maximum energy of 10 THz. For experimental phonon dispersion several lattice dynamical models are discussed. A shell model with angular forces and additional force constants could describe the phonon dispersion with an averaged deviation of 0.234 THz. The crystal structure of the tetraborates was investigated at room temperature and in addition for the barium and lead compound at 100 K. The comparison of the structure of the isostructural compounds SrB{sub 4}O{sub 7} and PbB{sub 4}O{sub 7} shows a noticeable shift of the lead against the strontium position, which as a result of the similar ion radii of the two ions could be assigned to the lone electron pair at the lead atom. The comparison of the crystal structure at low temperature shows similar to bismuth triborate an increase of the influence of the lone electron pair at lower temperatures. In barium tetraborate two different bond valence sums of the two crystallographic different barium positions are observed. As its origin the strong internal stresses are discussed. (orig.)

  14. Introduction to Louis Michel's lattice geometry through group action

    CERN Document Server

    Zhilinskii, Boris

    2015-01-01

    Group action analysis developed and applied mainly by Louis Michel to the study of N-dimensional periodic lattices is the central subject of the book. Different basic mathematical tools currently used for the description of lattice geometry are introduced and illustrated through applications to crystal structures in two- and three-dimensional space, to abstract multi-dimensional lattices and to lattices associated with integrable dynamical systems. Starting from general Delone sets the authors turn to different symmetry and topological classifications including explicit construction of orbifolds for two- and three-dimensional point and space groups. Voronoï and Delone cells together with positive quadratic forms and lattice description by root systems are introduced to demonstrate alternative approaches to lattice geometry study. Zonotopes and zonohedral families of 2-, 3-, 4-, 5-dimensional lattices are explicitly visualized using graph theory approach. Along with crystallographic applications, qualitative ...

  15. Ultratight crystal packing of a 10 kDa protein

    Energy Technology Data Exchange (ETDEWEB)

    Trillo-Muyo, Sergio [Molecular Biology Institute of Barcelona, Spanish Research Council CSIC, Barcelona Science Park, c/Baldiri Reixac 15-21, 08028 Barcelona (Spain); Jasilionis, Andrius [Vilnius University, M. K. Čiurlionio 21/27, 03101 Vilnius (Lithuania); Domagalski, Marcin J. [University of Virginia, 1340 Jefferson Park Avenue, Charlottesville, VA 22908-0736 (United States); Chruszcz, Maksymilian [University of South Carolina, 631 Sumter Street, Columbia, SC 29208 (United States); Minor, Wladek [University of Virginia, 1340 Jefferson Park Avenue, Charlottesville, VA 22908-0736 (United States); Kuisiene, Nomeda [Vilnius University, M. K. Čiurlionio 21/27, 03101 Vilnius (Lithuania); Arolas, Joan L.; Solà, Maria; Gomis-Rüth, F. Xavier, E-mail: xgrcri@ibmb.csic.es [Molecular Biology Institute of Barcelona, Spanish Research Council CSIC, Barcelona Science Park, c/Baldiri Reixac 15-21, 08028 Barcelona (Spain)

    2013-03-01

    The crystal structure of the C-terminal domain of a putative U32 peptidase from G. thermoleovorans is reported; it is one of the most tightly packed protein structures reported to date. While small organic molecules generally crystallize forming tightly packed lattices with little solvent content, proteins form air-sensitive high-solvent-content crystals. Here, the crystallization and full structure analysis of a novel recombinant 10 kDa protein corresponding to the C-terminal domain of a putative U32 peptidase are reported. The orthorhombic crystal contained only 24.5% solvent and is therefore among the most tightly packed protein lattices ever reported.

  16. Tunable all-angle negative refraction and photonic band gaps in two-dimensional plasma photonic crystals with square-like Archimedean lattices

    International Nuclear Information System (INIS)

    Zhang, Hai-Feng; Liu, Shao-Bin; Jiang, Yu-Chi

    2014-01-01

    In this paper, the tunable all-angle negative refraction and photonic band gaps (PBGs) in two types of two-dimensional (2D) plasma photonic crystals (PPCs) composed of homogeneous plasma and dielectric (GaAs) with square-like Archimedean lattices (ladybug and bathroom lattices) for TM wave are theoretically investigated based on a modified plane wave expansion method. The type-1 structure is dielectric rods immersed in the plasma background, and the complementary structure is named as type-2 PPCs. Theoretical simulations demonstrate that the both types of PPCs with square-like Archimedean lattices have some advantages in obtaining the higher cut-off frequency, the larger PBGs, more number of PBGs, and the relative bandwidths compared to the conventional square lattices as the filling factor or radius of inserted rods is same. The influences of plasma frequency and radius of inserted rod on the properties of PBGs for both types of PPCs also are discussed in detail. The calculated results show that PBGs can be manipulated by the parameters as mentioned above. The possibilities of all-angle negative refraction in such two types of PPCs at low bands also are discussed. Our calculations reveal that the all-angle negative phenomena can be observed in the first two TM bands, and the frequency range of all-angle negative refraction can be tuned by changing plasma frequency. Those properties can be used to design the optical switching and sensor

  17. Magnetic properties of checkerboard lattice: a Monte Carlo study

    Science.gov (United States)

    Jabar, A.; Masrour, R.; Hamedoun, M.; Benyoussef, A.

    2017-12-01

    The magnetic properties of ferrimagnetic mixed-spin Ising model in the checkerboard lattice are studied using Monte Carlo simulations. The variation of total magnetization and magnetic susceptibility with the crystal field has been established. We have obtained a transition from an order to a disordered phase in some critical value of the physical variables. The reduced transition temperature is obtained for different exchange interactions. The magnetic hysteresis cycles have been established. The multiples hysteresis cycle in checkerboard lattice are obtained. The multiples hysteresis cycle have been established. The ferrimagnetic mixed-spin Ising model in checkerboard lattice is very interesting from the experimental point of view. The mixed spins system have many technological applications such as in domain opto-electronics, memory, nanomedicine and nano-biological systems. The obtained results show that that crystal field induce long-range spin-spin correlations even bellow the reduced transition temperature.

  18. First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

    Science.gov (United States)

    Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

    2018-04-01

    Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

  19. Lattice mechanics of ionic crystals - unified study

    International Nuclear Information System (INIS)

    Sengupta, S.; Roy, D.; Basu, A.N.

    1979-01-01

    The up-to-date situation in the understanding of the mechanical properties of ionic solids is reviewed. These properties are determined by the Born-Oppenheimer (B-O) potential energy function. For ionic crystals this potential energy function can be written down with some precision. To keep the expression tractable, the dominant electron deformation, the dipolar deformation, is treated as an adiabatic variable and the energy then becomes a function of both the nuclear coordinates and the ionic dipole moments. All the well known models for ionic crystals are discussed in terms of the energy expression they imply. This makes the comparison straight forward and brings out the essential difference between the models clearly. Next various quantum mechanical treatments for ionic crystals are reviewed. An attempt is made to obtain the B-O potential energy expression using a Heitler-London approach. By comparing the various models one can arrive at some definitive conclusions about the degree of validity and the assumptions underlying these models. Finally a comprehensive review of the results of actual computation on various ionic crystals done by different authors is undertaken. The crucial quantitative results are examined and the success and shortcoming of each calculation are critically analysed. The guiding principle in this part is the unified approach. i.e. to see how far a model with a given set of parameters accounts for both the dynamic and static properties. The discussion is divided in three sections for crystals with sodium chloride, cesium chloride and zinc sulfide structures. Outstanding problems and difficulties in the present understanding are pointed out. (auth.)

  20. Trace element distribution in geological crystals

    Energy Technology Data Exchange (ETDEWEB)

    Den Besten, J.L.; Jamieson, D.N.; Weiser, P.S. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1996-12-31

    Channelling is a useful microprobe technique for determining the structure of crystals, but until now has not been performed on geological crystals. The composition has been investigated rather than the structure, which can further explain the origin of the crystal and provide useful information on the substitutionality of trace elements. This may then lead to applications of extraction of valuable metals and semiconductor electronics. Natural crystals of pyrite, FeS{sub 2}, which contains a substantial concentration of gold were channeled and examined to identify the channel axis orientation. Rutherford Backscattering (RBS) and Particle Induced X-Ray Emission (PIXE) spectra using MeV ions were obtained in the experiment to provide a comparison of lattice and non-lattice trace elements. 3 figs.

  1. Trace element distribution in geological crystals

    Energy Technology Data Exchange (ETDEWEB)

    Den Besten, J L; Jamieson, D N; Weiser, P S [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1997-12-31

    Channelling is a useful microprobe technique for determining the structure of crystals, but until now has not been performed on geological crystals. The composition has been investigated rather than the structure, which can further explain the origin of the crystal and provide useful information on the substitutionality of trace elements. This may then lead to applications of extraction of valuable metals and semiconductor electronics. Natural crystals of pyrite, FeS{sub 2}, which contains a substantial concentration of gold were channeled and examined to identify the channel axis orientation. Rutherford Backscattering (RBS) and Particle Induced X-Ray Emission (PIXE) spectra using MeV ions were obtained in the experiment to provide a comparison of lattice and non-lattice trace elements. 3 figs.

  2. Lattice Parameter of Polycrystalline Diamond in the Low-Temperature Range

    International Nuclear Information System (INIS)

    Paszkowicz, W.; Piszora, P.; Lasocha, W.; Margiolaki, I.; Brunelli, M.; Fitch, A.

    2010-01-01

    The lattice parameter for polycrystalline diamond is determined as a function of temperature in the 4-300 K temperature range. In the range studied, the lattice parameter, expressed in angstrom units, of the studied sample increases according to the equation a = 3.566810(12) + 6.37(41) x 10 -14 T 4 (approximately, from 3.5668 to 3.5673 A). This increase is larger than that earlier reported for pure single crystals. The observed dependence and the resulting thermal expansion coefficient are discussed on the basis of literature data reported for diamond single crystals and polycrystals. (authors)

  3. Induced surface stress at crystal surfaces

    International Nuclear Information System (INIS)

    Dahmen, K.

    2002-05-01

    Changes of the surfaces stress Δτ (s) can be studied by observing the bending of thin crystalline plates. With this cantilever method one can gain the induced change of surface stress Δτ (s) from the bending of plates with the help of elasticity theory. For elastic isotropic substrates the relevant relations are known. Here the relations are generalized to elastic anisotropic crystals with a C 2v - Symmetry. The equilibrium shapes of crystalline plates oriented along the (100)-, (110)-, or (111)-direction which are clamped along one edge are calculated with a numeric method under the load of a homogeneous but pure isotropic or anisotropic surface stress. The results can be displayed with the dimensionality, so that the effect of clamping can be described in a systematic way. With these tabulated values one can evaluate cantilever experiments exactly. These results are generalized to cantilever methods for determining magnetoelastic constants. It is shown which magnetoelastic constants are measured in domains of thin films with ordered structures. The eigenshape and the eigenfrequency of plates constraint through a clamping at one side are calculated. These results give a deeper understanding of the elastic anisotropy. The induced surface stress of oxygen on the (110)-surface of molybdenum is measured along the principle directions Δτ [001] and Δτ [ anti 110] . The anisotropy of the surface stress is found for the p(2 x 2)-reconstruction. Lithium induces a tensile surface stress on the Molybdenum (110)-surface up to a coverage of Θ = 0, 3 monolayer. For a higher coverage the induced stress drops and reaches a level of less than -1, 2 N/m at one monolayer. It is shown, that cobalt induces a linear increasing stress with respect to the coverage on the (100)-surface of copper with a value of 2, 4GPa. The copper (100)-surface is bombarded with accelerated ions in the range between 800-2200 eV. The resulting induced compressive stress (Δτ (s) < 0) of the order

  4. Optimizing solubility and permeability of a biopharmaceutics classification system (BCS) class 4 antibiotic drug using lipophilic fragments disturbing the crystal lattice.

    Science.gov (United States)

    Tehler, Ulrika; Fagerberg, Jonas H; Svensson, Richard; Larhed, Mats; Artursson, Per; Bergström, Christel A S

    2013-03-28

    Esterification was used to simultaneously increase solubility and permeability of ciprofloxacin, a biopharmaceutics classification system (BCS) class 4 drug (low solubility/low permeability) with solid-state limited solubility. Molecular flexibility was increased to disturb the crystal lattice, lower the melting point, and thereby improve the solubility, whereas lipophilicity was increased to enhance the intestinal permeability. These structural changes resulted in BCS class 1 analogues (high solubility/high permeability) emphasizing that simple medicinal chemistry may improve both these properties.

  5. Investigations of Residual Stresses and Mechanical Properties of Single Crystal Niobium for SRF Cavities

    Science.gov (United States)

    Gnäupel-Herold, Thomas; Myneni, Ganapati Rao; Ricker, Richard E.

    2007-08-01

    This work investigates properties of large grained, high purity niobium with respect to the forming of superconducting radio frequency (SRF) cavities from such large grained sheets. The yield stresses were examined using tensile specimens that were essentially single crystals in orientations evenly distributed in the standard projection triangle. No distinct yield anisotropy was found, however, vacuum annealing increased the yield strength by a factor 2…3. The deep drawing forming operation of the half cells raises the issues of elastic shape changes after the release of the forming tool (springback) and residual stresses, both of which are indicated to be negligible. This is a consequence of the low yield stress (sheet metal forming). However, the significant anisotropy of the transversal plastic strains after uniaxial deformation points to potentially critical thickness variations for large grained / single crystal half cells, thus raising the issue of controlling grain orientation or using single crystal sheet material.

  6. Investigations of Residual Stresses and Mechanical Properties of Single Crystal Niobium for SRF Cavities

    International Nuclear Information System (INIS)

    Gnaeupel-Herold, Thomas; Myneni, Ganapati Rao; Ricker, Richard E.

    2007-01-01

    This work investigates properties of large grained, high purity niobium with respect to the forming of superconducting radio frequency (SRF) cavities from such large grained sheets. The yield stresses were examined using tensile specimens that were essentially single crystals in orientations evenly distributed in the standard projection triangle. No distinct yield anisotropy was found, however, vacuum annealing increased the yield strength by a factor 2...3. The deep drawing forming operation of the half cells raises the issues of elastic shape changes after the release of the forming tool (springback) and residual stresses, both of which are indicated to be negligible. This is a consequence of the low yield stress (< 100 MPa) and the large thickness (compared to typical thicknesses in sheet metal forming). However, the significant anisotropy of the transversal plastic strains after uniaxial deformation points to potentially critical thickness variations for large grained / single crystal half cells, thus raising the issue of controlling grain orientation or using single crystal sheet material

  7. Optical lattice-like cladding waveguides by direct laser writing: fabrication, luminescence, and lasing.

    Science.gov (United States)

    Nie, Weijie; He, Ruiyun; Cheng, Chen; Rocha, Uéslen; Rodríguez Vázquez de Aldana, Javier; Jaque, Daniel; Chen, Feng

    2016-05-15

    We report on the fabrication of optical lattice-like waveguide structures in an Nd:YAP laser crystal by using direct femtosecond laser writing. With periodically arrayed laser-induced tracks, the waveguiding cores can be located in either the regions between the neighbored tracks or the central zone surrounded by a number of tracks as outer cladding. The polarization of the femtosecond laser pulses for the inscription has been found to play a critical role in the anisotropic guiding behaviors of the structures. The confocal photoluminescence investigations reveal different stress-induced modifications of the structures inscribed by different polarization of the femtosecond laser beam, which are considered to be responsible for the refractive index changes of the structures. Under optical pump at 808 nm, efficient waveguide lasing at ∼1  μm wavelength has been realized from the optical lattice-like structure, which exhibits potential applications as novel miniature light sources.

  8. Gate-tunable gigantic lattice deformation in VO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Okuyama, D., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp; Hatano, T. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Nakano, M., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Takeshita, S.; Ohsumi, H.; Tardif, S. [RIKEN SPring-8 Center, Hyogo 679-5148 (Japan); Shibuya, K. [National Institute of Advanced Industrial Science and Technology, Tsukuba 305-8562 (Japan); Yumoto, H.; Koyama, T.; Ohashi, H. [Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Takata, M. [RIKEN SPring-8 Center, Hyogo 679-5148 (Japan); Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Kawasaki, M.; Tokura, Y.; Iwasa, Y., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Quantum-Phase Electronics Center and Department of Applied Physics, University of Tokyo, Tokyo 113-8656 (Japan); Arima, T. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); RIKEN SPring-8 Center, Hyogo 679-5148 (Japan); Department of Advanced Materials Science, University of Tokyo, Kashiwa 277-8561 (Japan)

    2014-01-13

    We examined the impact of electric field on crystal lattice of vanadium dioxide (VO{sub 2}) in a field-effect transistor geometry by in-situ synchrotron x-ray diffraction measurements. Whereas the c-axis lattice parameter of VO{sub 2} decreases through the thermally induced insulator-to-metal phase transition, the gate-induced metallization was found to result in a significant increase of the c-axis length by almost 1% from that of the thermally stabilized insulating state. We also found that this gate-induced gigantic lattice deformation occurs even at the thermally stabilized metallic state, enabling dynamic control of c-axis lattice parameter by more than 1% at room temperature.

  9. Making sense of nanocrystal lattice fringes

    International Nuclear Information System (INIS)

    Fraundorf, P.; Qin Wentao; Moeck, Peter; Mandell, Eric

    2005-01-01

    The orientation dependence of thin-crystal lattice fringes can be gracefully quantified using fringe-visibility maps, a direct-space analog of Kikuchi maps [Nishikawa and Kikuchi, Nature (London) 121, 1019 (1928)]. As in navigation of reciprocal space with the aid of Kikuchi lines, fringe-visibility maps facilitate acquisition of crystallographic information from lattice images. In particular, these maps can help researchers to determine the three-dimensional lattice of individual nanocrystals, to 'fringe-fingerprint' collections of randomly oriented particles, and to measure local specimen thickness with only a modest tilt. Since the number of fringes in an image increases with maximum spatial-frequency squared, these strategies (with help from more precise goniometers) will be more useful as aberration correction moves resolutions into the subangstrom range

  10. 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....

  11. Change of lattice parameters in highly disperse nickel powders

    International Nuclear Information System (INIS)

    Gamarnik, M.Ya.

    1991-01-01

    A monotonous increase of the lattice parameters with the decrease of particle size is established by an X-ray study for highly disperse nickel powders in the interval of sizes from 4.9 to 35 nm. The relative changes of lattice parameters are from 4.9x10 -3 ±5x10 -4 up to 3x10 -4 ±1x10 -4 . The effect is explained by the decrease of the intracrystalline pressure in small particles stipulated by electrostatic interaction of the elements of crystal charge lattice. A calculated dependence of the lattice parameters which agrees with experimental curve is obtained in the framework of the model suggested by the charge lattice represented by an ion-electron lattice of positive ions and collectivized electrons with regard of the lattice of atomic neutral cores (the contribution of the latter is proved very small as found from the calculations). (orig.)

  12. Understanding size effects on the strength of single crystals through high-temperature micropillar compression

    International Nuclear Information System (INIS)

    Soler, Rafael; Wheeler, Jeffrey M.; Chang, Hyung-Jun; Segurado, Javier; Michler, Johann; Llorca, Javier; Molina-Aldareguia, Jon M.

    2014-01-01

    Compression tests of 〈1 1 1〉-oriented LiF single-crystal micropillars 1–5 μm in diameter were carried out from 25 °C to 250 °C. While the flow stress at ambient temperature was independent of the micropillar diameter, a strong size effect developed with elevated temperature. This behavior was explained by rigorously accounting for the different contributions to the flow stress of the micropillars as a function of temperature and pillar diameter: the lattice resistance, the forest hardening; and the size-dependent contribution as a result of the operation of single-arm dislocation sources. This was possible because the micropillars were obtained by chemically etching away the surrounding matrix in directionally solidified LiF–NaCl and LiF–KCl eutectics, avoiding any use of focused ion beam methods, yielding micropillars with a controlled dislocation density, independent of the sample preparation technique. In particular, the role of the lattice resistance on the size effect of micrometer-size single crystals was demonstrated unambiguously for the first time. This result rationalizes the different values of power-law exponent for the size effect found in the literature for face-centered cubic and body-centered cubic metals as well as for covalent and ionic solids

  13. Entropy-driven crystal formation on highly strained substrates

    KAUST Repository

    Savage, John R.

    2013-05-20

    In heteroepitaxy, lattice mismatch between the deposited material and the underlying surface strongly affects nucleation and growth processes. The effect of mismatch is well studied in atoms with growth kinetics typically dominated by bond formation with interaction lengths on the order of one lattice spacing. In contrast, less is understood about how mismatch affects crystallization of larger particles, such as globular proteins and nanoparticles, where interparticle interaction energies are often comparable to thermal fluctuations and are short ranged, extending only a fraction of the particle size. Here, using colloidal experiments and simulations, we find particles with short-range attractive interactions form crystals on isotropically strained lattices with spacings significantly larger than the interaction length scale. By measuring the free-energy cost of dimer formation on monolayers of increasing uniaxial strain, we show the underlying mismatched substrate mediates an entropy-driven attractive interaction extending well beyond the interaction length scale. Remarkably, because this interaction arises from thermal fluctuations, lowering temperature causes such substrate-mediated attractive crystals to dissolve. Such counterintuitive results underscore the crucial role of entropy in heteroepitaxy in this technologically important regime. Ultimately, this entropic component of lattice mismatched crystal growth could be used to develop unique methods for heterogeneous nucleation and growth of single crystals for applications ranging from protein crystallization to controlling the assembly of nanoparticles into ordered, functional superstructures. In particular, the construction of substrates with spatially modulated strain profiles would exploit this effect to direct self-assembly, whereby nucleation sites and resulting crystal morphology can be controlled directly through modifications of the substrate.

  14. High-resolution mapping of two-dimensional lattice distortions in ion-implanted crystals from X-ray diffractometry data

    International Nuclear Information System (INIS)

    Nikulin, A.Y.; Gureyev, T.E.; Stevenson, A.W.; Wilkins, S.W.; Hashizume, H.; Cookson, D.

    1996-01-01

    The triple-crystal synchrotron X-ray diffractometry data described in Nikulin, Stevenson, Hashizume, Wilkins, Foran, Cookson and Garrett (J. Appl. Cryst. 28, 57-60 (1995)) has been analyzed to map out two-dimensional (2D) lattice distortions in silicon (111) crystals implanted with B + ions of 100 keV energy through a periodic SiO 2 strip pattern. The lateral periodic structure produced a series of satellite reflections associated with the 111 Bragg peak. The 2D reconstruction incorporates the use of the Petrashen-Chukhovskii method, which retrieves the phases of the Bragg waves for these satellite reflections, together with that for the fundamental. The finite Fourier series is then synthesized with the relative phases determined. Localized distortions perpendicular to the surface arising from deposited B + ions in near-surface layers of the crystal are clearly displayed with spatial resolutions of 0.016 and 0.265 μm in the depth and lateral directions respectively. For a sample with the oxide layer removed from the surface, two equally plausible strain maps have been obtained by assigning relative phases to eleven satellites using a sequential trial method and a minimum-energy method. Failed map reconstructions for the oxide-covered sample are discussed in terms of the non-unique solutions of the Petrashen-Chukhovskii phase-recovery algorithm and the ambiguous phases determined for the satellites. 16 refs., 8 figs

  15. Kinetic models for irreversible processes on a lattice

    Energy Technology Data Exchange (ETDEWEB)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.

  16. DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

    Science.gov (United States)

    Bedoya-Martínez, Natalia; Schrode, Benedikt; Jones, Andrew O F; Salzillo, Tommaso; Ruzié, Christian; Demitri, Nicola; Geerts, Yves H; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland

    2017-08-03

    A combined experimental and theoretical approach, consisting of lattice phonon Raman spectroscopy and density functional theory (DFT) calculations, is proposed as a tool for lattice dynamics characterization and polymorph phase identification. To illustrate the reliability of the method, the lattice phonon Raman spectra of two polymorphs of the molecule 2,7-dioctyloxy[1]benzothieno[3,2-b]benzothiophene are investigated. We show that DFT calculations of the lattice vibrations based on the known crystal structures, including many-body dispersion van der Waals (MBD-vdW) corrections, predict experimental data within an accuracy of ≪5 cm -1 (≪0.6 meV). Due to the high accuracy of the simulations, they can be used to unambiguously identify different polymorphs and to characterize the nature of the lattice vibrations and their relationship to the structural properties. More generally, this work implies that DFT-MBD-vdW is a promising method to describe also other physical properties that depend on lattice dynamics like charge transport.

  17. Kinetic models for irreversible processes on a lattice

    International Nuclear Information System (INIS)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism

  18. Factors affecting stress distribution and displacements in crystals III-V grown by Czochralski method with liquid encapsulation

    International Nuclear Information System (INIS)

    Schvezov, C.E.; Samarasekera, I.; Weinberg, F.

    1988-01-01

    A mathematical model based on the finite element method for calculating temperature and shear stress distributions in III-V crystals grown by LEC technique was developed. The calculated temperature are in good agreements with the experimental measurements. The shear stress distribution was calculated for several environmental conditions. The results showed that the magnitude and the distribution of shear stresses are highly sensitive to the crystal environment, including thickness and temperature distribution in boron oxides and the gas. The shear stress is also strongly influenced by interface curvature and cystals radius. (author) [pt

  19. Lattice location of diffused Zn atoms in GaAs and InP single crystals

    International Nuclear Information System (INIS)

    Chan, L.Y.; Yu, K.M.; Ben-Tzur, M.; Haller, E.E.; Jaklevic, J.M.; Walukiewicz, W.; Hanson, C.M.

    1991-01-01

    We have investigated the saturation phenomenon of the free carrier concentration in p-type GaAs and InP single crystals doped by zinc diffusion. The free hole saturation occurs at 10 20 cm -3 for GaAs, but the maximum concentration for InP appears at mid 10 18 cm -3 . The difference in the saturation hole concentrations for these materials is investigated by studying the incorporation and the lattice location of the impurity zinc, an acceptor when located on a group III atom site. Zinc is diffused into the III-V wafers in a sealed quartz ampoule. Particle-induced x-ray emission with ion-channeling techniques are employed to determine the exact lattice location of the zinc atoms. We have found that over 90% of all zinc atoms occupy Ga sites in the diffused GaAs samples, while for the InP case, the zinc substitutionality is dependent on the cooling rate of the sample after high-temperature diffusion. For the slowly cooled sample, a large fraction (∼90%) of the zinc atoms form random precipitates of Zn 3 P 2 and elemental Zn. However, when rapidly cooled only 60% of the zinc forms such precipitates while the rest occupies specific sites in the InP. We analyze our results in terms of the amphoteric native defect model. We show that the difference in the electrical activity of the Zn atoms in GaAs and InP is a consequence of the different location of the Fermi level stabilization energy in these two materials

  20. Crystal-phase intergradation in InAs nanostructures grown by van der Waals heteroepitaxy on graphene

    Science.gov (United States)

    Choi, Ji Eun; Yoo, Jinkyoung; Lee, Donghwa; Hong, Young Joon; Fukui, Takashi

    2018-04-01

    This study demonstrates the crystal-phase intergradation of InAs nanostructures grown on graphene via van der Waals epitaxy. InAs nanostructures with diverse diameters are yielded on graphene. High-resolution transmission electron microscopy (HR-TEM) reveals two crystallographic features of (i) wurtzite (WZ)-to-zinc blende (ZB) intergradation along the growth direction of InAs nanostructures and (ii) an increased mean fraction of ZB according to diameter increment. Based on the HR-TEM observations, a crystal-phase intergradation diagram is depicted. We discuss how the formation of a WZ-rich phase during the initial growth stage is an effective way of releasing heterointerfacial stress endowed by the lattice mismatch of InAs/graphene for energy minimization in terms of less in-plane lattice mismatching between WZ-InAs and graphene. The WZ-to-ZB evolution is responsible for the attenuation of the bottom-to-top surface charge interaction as growth proceeds.

  1. An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase

    International Nuclear Information System (INIS)

    Morgan, Hugh P.; McNae, Iain W.; Hsin, Kun-Yi; Michels, Paul A. M.; Fothergill-Gilmore, Linda A.; Walkinshaw, Malcolm D.

    2010-01-01

    The first crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) obtained at a neutral pH. LmPYK was co-crystallized with the small molecule 1,3,6,8-pyrenetetrasulfonic acid, which provides a helpful intermolecular bridge between macromolecules. The inclusion of novel small molecules in crystallization experiments has provided very encouraging results and this method is now emerging as a promising alternative strategy for crystallizing ‘problematic’ biological macromolecules. These small molecules have the ability to promote lattice formation through stabilizing intermolecular interactions in protein crystals. Here, the use of 1,3,6,8-pyrenetetrasulfonic acid (PTS), which provides a helpful intermolecular bridge between Leishmania mexicana PYK (LmPYK) macromolecules in the crystal, is reported, resulting in the rapid formation of a more stable crystal lattice at neutral pH and greatly improved X-ray diffraction results. The refined structure of the LmPYK–PTS complex revealed the negatively charged PTS molecule to be stacked between positively charged (surface-exposed) arginine side chains from neighbouring LmPYK molecules in the crystal lattice

  2. Spin-phonon and lattice contributions to the ground-state splitting of Gd3+ and Eu2+ in scheelite crystals

    Science.gov (United States)

    Gorlov, A. D.

    2015-07-01

    The EPR spectra of Gd3+ in CaWO4 single crystals have been studied at temperatures T = 1.8, 4.2, and 114-300 K, and the temperature dependence of the parameters b {/n m } ( T) of the spin Hamiltonian has been found. The behavior of b {2/0}( T) has been analyzed. The spin-phonon and static lattice contributions b {2/0}( F) and b {2/0}( L) to b {2/0}( T) have been revealed. For this purpose, the variation of b {2/0}( L) has been calculated taking into account the thermal shifts of oxygen ions in CaWO4. Similar analysis has been carried out for CaWO4: Eu2+ based on the EPR data of other authors (Bronstein, Voterra and Harvey, Kiefte). It has been shown that at b {2/0}( F) > 0, the variation of b {2/0}( F) as a function of T for these impurity centers is described well by the Pfister model and a sign change of b {2/0}( T) for Eu2+ is determined by thermal expansion of the lattice.

  3. Lattice Boltzmann simulation of asymmetric flow in nematic liquid crystals with finite anchoring

    Science.gov (United States)

    Zhang, Rui; Roberts, Tyler; Aranson, Igor S.; de Pablo, Juan J.

    2016-02-01

    Liquid crystals (LCs) display many of the flow characteristics of liquids but exhibit long range orientational order. In the nematic phase, the coupling of structure and flow leads to complex hydrodynamic effects that remain to be fully elucidated. Here, we consider the hydrodynamics of a nematic LC in a hybrid cell, where opposite walls have conflicting anchoring boundary conditions, and we employ a 3D lattice Boltzmann method to simulate the time-dependent flow patterns that can arise. Due to the symmetry breaking of the director field within the hybrid cell, we observe that at low to moderate shear rates, the volumetric flow rate under Couette and Poiseuille flows is different for opposite flow directions. At high shear rates, the director field may undergo a topological transition which leads to symmetric flows. By applying an oscillatory pressure gradient to the channel, a net volumetric flow rate is found to depend on the magnitude and frequency of the oscillation, as well as the anchoring strength. Taken together, our findings suggest several intriguing new applications for LCs in microfluidic devices.

  4. Frequency distribution of the reduced unit cells of centred lattices from the Protein Data Bank.

    Science.gov (United States)

    Swaminathan, Kunchithapadam

    2012-03-01

    In crystallography, a centred conventional lattice unit cell has its corresponding reduced primitive unit cell. This study presents the frequency distribution of the reduced unit cells of all centred lattice entries of the Protein Data Bank (as of 23 August 2011) in four unit-cell-dimension-based groups and seven interaxial-angle-based subgroups. This frequency distribution is an added layer of support during space-group assignment in new crystals. In addition, some interesting patterns of distribution are discussed as well as how some reduced unit cells could be wrongly accepted as primitive lattices in a different crystal system.

  5. Melting of the moving vortex lattice in the presence of disorder

    International Nuclear Information System (INIS)

    Koshelev, A.E.; Vinokur, V.M.

    1994-07-01

    The authors investigate the melting of the two-dimensional vortex lattice moving in an inhomogeneous environment under the applied current j. They predict the existence of a dynamic phase transition at some current j = j t (crystallization current) from the motion of the amorphous configuration at j t to the motion of the crystal at j > j t . j t exceeds essentially the critical current j c for strongly disordered systems and approaches j c with the decrease of the degree of disorder. They find that j t diverges as temperature approaches the melting temperature of the undisturbed lattice

  6. The theoretical shear strength of fcc crystals under superimposed triaxial stress

    Energy Technology Data Exchange (ETDEWEB)

    Cerny, M., E-mail: cerny.m@fme.vutbr.cz [Institute of Engineering Physics, Faculty of Mechanical Engineering, Brno University of Technology, Technicka 2, CZ-616 69 Brno (Czech Republic); Pokluda, J. [Institute of Engineering Physics, Faculty of Mechanical Engineering, Brno University of Technology, Technicka 2, CZ-616 69 Brno (Czech Republic)

    2010-05-15

    The influence of a triaxial stress applied normally to shear planes and shear direction during affine shear deformation of face-centered cubic crystals on the theoretical shear strength is studied for the <112-bar >{l_brace}111{r_brace} shear system using first-principles methods. The applied relaxation procedure guarantees that the modeled system is subjected to a superposition of shear, normal and in-plane stresses with individually adjustable in-plane and normal stress values. The theoretical shear strengths of individual elements prove to be qualitatively different functions of the superimposed stresses. In the special case of hydrostatic loading, however, these functions are qualitatively uniform. This behavior is discussed in terms of the electronic structure.

  7. Principles of the measurement of residual stress by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Webster, G A; Ezeilo, A N [Imperial Coll. of Science and Technology, London (United Kingdom). Dept. of Mechanical Engineering

    1996-11-01

    The presence of residual stresses in engineering components can significantly affect their load carrying capacity and resistance to fracture. In order to quantify their effect it is necessary to know their magnitude and distribution. Neutron diffraction is the most suitable method of obtaining these stresses non-destructively in the interior of components. In this paper the principles of the technique are described. A monochromatic beam of neutrons, or time of flight measurements, can be employed. In each case, components of strain are determined directly from changes in the lattice spacings between crystals. Residual stresses can then be calculated from these strains. The experimental procedures for making the measurements are described and precautions for achieving reliable results discussed. These include choice of crystal planes on which to make measurements, extent of masking needed to identify a suitable sampling volume, type of detector and alignment procedure. Methods of achieving a stress free reference are also considered. A selection of practical examples is included to demonstrate the success of the technique. (author) 14 figs., 1 tab., 18 refs.

  8. Principles of the measurement of residual stress by neutron diffraction

    International Nuclear Information System (INIS)

    Webster, G.A.; Ezeilo, A.N.

    1996-01-01

    The presence of residual stresses in engineering components can significantly affect their load carrying capacity and resistance to fracture. In order to quantify their effect it is necessary to know their magnitude and distribution. Neutron diffraction is the most suitable method of obtaining these stresses non-destructively in the interior of components. In this paper the principles of the technique are described. A monochromatic beam of neutrons, or time of flight measurements, can be employed. In each case, components of strain are determined directly from changes in the lattice spacings between crystals. Residual stresses can then be calculated from these strains. The experimental procedures for making the measurements are described and precautions for achieving reliable results discussed. These include choice of crystal planes on which to make measurements, extent of masking needed to identify a suitable sampling volume, type of detector and alignment procedure. Methods of achieving a stress free reference are also considered. A selection of practical examples is included to demonstrate the success of the technique. (author) 14 figs., 1 tab., 18 refs

  9. Direct Writing of Three-Dimensional Macroporous Photonic Crystals on Pressure-Responsive Shape Memory Polymers.

    Science.gov (United States)

    Fang, Yin; Ni, Yongliang; Leo, Sin-Yen; Wang, Bingchen; Basile, Vito; Taylor, Curtis; Jiang, Peng

    2015-10-28

    Here we report a single-step direct writing technology for making three-dimensional (3D) macroporous photonic crystal patterns on a new type of pressure-responsive shape memory polymer (SMP). This approach integrates two disparate fields that do not typically intersect: the well-established templating nanofabrication and shape memory materials. Periodic arrays of polymer macropores templated from self-assembled colloidal crystals are squeezed into disordered arrays in an unusual shape memory "cold" programming process. The recovery of the original macroporous photonic crystal lattices can be triggered by direct writing at ambient conditions using both macroscopic and nanoscopic tools, like a pencil or a nanoindenter. Interestingly, this shape memory disorder-order transition is reversible and the photonic crystal patterns can be erased and regenerated hundreds of times, promising the making of reconfigurable/rewritable nanooptical devices. Quantitative insights into the shape memory recovery of collapsed macropores induced by the lateral shear stresses in direct writing are gained through fundamental investigations on important process parameters, including the tip material, the critical pressure and writing speed for triggering the recovery of the deformed macropores, and the minimal feature size that can be directly written on the SMP membranes. Besides straightforward applications in photonic crystal devices, these smart mechanochromic SMPs that are sensitive to various mechanical stresses could render important technological applications ranging from chromogenic stress and impact sensors to rewritable high-density optical data storage media.

  10. Adsorption, Desorption, Surface Diffusion, Lattice Defect Formation, and Kink Incorporation Processes of Particles on Growth Interfaces of Colloidal Crystals with Attractive Interactions

    Directory of Open Access Journals (Sweden)

    Yoshihisa Suzuki

    2016-07-01

    Full Text Available Good model systems are required in order to understand crystal growth processes because, in many cases, precise incorporation processes of atoms or molecules cannot be visualized easily at the atomic or molecular level. Using a transmission-type optical microscope, we have successfully observed in situ adsorption, desorption, surface diffusion, lattice defect formation, and kink incorporation of particles on growth interfaces of colloidal crystals of polystyrene particles in aqueous sodium polyacrylate solutions. Precise surface transportation and kink incorporation processes of the particles into the colloidal crystals with attractive interactions were observed in situ at the particle level. In particular, contrary to the conventional expectations, the diffusion of particles along steps around a two-dimensional island of the growth interface was not the main route for kink incorporation. This is probably due to the number of bonds between adsorbed particles and particles in a crystal; the number exceeds the limit at which a particle easily exchanges its position to the adjacent one along the step. We also found novel desorption processes of particles from steps to terraces, attributing them to the assistance of attractive forces from additionally adsorbing particles to the particles on the steps.

  11. Immobilizing Water into Crystal Lattice of Calcium Sulfate for its Separation from Water-in-Oil Emulsion.

    Science.gov (United States)

    Jiang, Guangming; Li, Junxi; Nie, Yunliang; Zhang, Sen; Dong, Fan; Guan, Baohong; Lv, Xiaoshu

    2016-07-19

    This work report a facile approach to efficiently separate surfactant-stabilized water (droplet diameter of around 2.0 μm) from water-in-oil emulsion via converting liquid water into solid crystal water followed by removal with centrifugation. The liquid-solid conversion is achieved through the solid-to-solid phase transition of calcium sulfate hemihydrate (CaSO4. 0.5H2O, HH) to dihydrate (CaSO4·2H2O, DH), which could immobilize the water into crystal lattice of DH. For emulsion of 10 mg mL(-1) water, the immobilization-separation process using polycrystalline HH nanoellipsoids could remove 95.87 wt % water at room temperature. The separation efficiency can be further improved to 99.85 wt % by optimizing the HH dosage, temperature, HH size and crystalline structure. Property examination of the recycled oil confirms that our method has neglectable side-effect on oil quality. The byproduct DH was recycled to alpha-HH (a valuable cemetitious material widely used in construction and binding field), which minimizes the risk of secondary pollution and promotes the practicality of our method. With the high separation efficiency, the "green" feature and the recyclability of DH byproduct, the HH-based immobilization-separation approach is highly promising in purifying oil with undesired water contamination.

  12. Refractive indices of K2ZnCl4 crystals in an incommensurate phase under uniaxial stresses

    International Nuclear Information System (INIS)

    Gaba, V.M.; Kogut, Z.O.; Brezvin, R.S.; Stadnik, V.I.

    2010-01-01

    The influence of uniaxial mechanical stresses directed along the principal crystallophysical axes on refractiveindex temperature dependences in K 2 ZnCl 4 crystals was studied. It is established that the refractive indices ni are quite sensitive to uniaxial stresses. Significant baric shifts of the paraphase-incommensurate-commensurate phase transition points to different temperature regions were observed, which is due to the effect of the uniaxial stress on the K 2 ZnCl 4 crystal structure. It is found that applying uniaxial pressure increases the value of the temperature hysteresis of the commensurate-incommensurate phase transition. (authors)

  13. Dynamics of Spontaneous Emission Controlled by Local Density of States in Photonic Crystals

    DEFF Research Database (Denmark)

    Lodahl, Peter; Nikolaev, Ivan S.; van Driel, A. Floris

    2006-01-01

    We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter.......We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter....

  14. Thermal expansion of crystals of the N2 type

    International Nuclear Information System (INIS)

    Tolkachev, A.M.; Manzhelii, V.G.; Azarenkov, V.P.; Jezowski, A.; Kosobutskaya, E.A.

    1981-01-01

    Linear expansion coefficients of low temperature crystals with linear molecules and Pa3 lattice N 2 (2-21 K), CO(2-28 K), CO 2 (2-25 K), N 2 O(2-90 K) were measured. A version of the law of corresponding states to describe the translational component of the thermal expansion of the substances studied and other low temperature crystals with close-packed lattices is proposed. In the thermal properties of crystals consisting of molecules without inversion centre, we have found anomalies interpreted as the evidence of a partial dipole ordering. (orig.)

  15. INTERFACE DEVICE FOR NONDESTRUCTIVE TESTING OF RESIDUAL SURFACE STRESSES

    Directory of Open Access Journals (Sweden)

    Gennady A. Perepelkin

    2016-01-01

    Full Text Available The paper considers the organization of connection of a personal computer with a device for nondestructive testing of residual surface stresses. The device works is based on the phenomenon of diffraction of ionizing radiation from the crystal lattice near the surface of the crystallites. Proposed software interface to the organization for each type of user: the device developers, administrators, users. Some aspects of the organization of communication microcontroller to a PC via USB-port

  16. Reconstruction of Stress and Composition Profiles from X-ray Diffraction Experiments - How to Avoid Ghost Stresses?

    DEFF Research Database (Denmark)

    Christiansen, Thomas; Somers, Marcel A.J.

    2004-01-01

    On evaluating lattice strain-depth or stress-depth profiles with X-ray diffraction, the variation of the information depth while combining various tilt angles,psi, in combination with lattice spacing gradients leads to artefacts,so-called ghost or fictitious stresses. X-ray diffraction lattice...... method for the evaluation of stress/strain and composition profiles, while minimising the risk for ghost stresses....

  17. Crystal lattice desolvation effects on the magnetic quantum tunneling of single-molecule magnets

    Science.gov (United States)

    Redler, G.; Lampropoulos, C.; Datta, S.; Koo, C.; Stamatatos, T. C.; Chakov, N. E.; Christou, G.; Hill, S.

    2009-09-01

    High-frequency electron paramagnetic resonance (HFEPR) and alternating current (ac) susceptibility measurements are reported for a new high-symmetry Mn12 complex, [Mn12O12(O2CCH3)16(CH3OH)4]ṡCH3OH . The results are compared to those of other high-symmetry spin S=10Mn12 single-molecule magnets (SMMs), including the original acetate, [Mn12(O2CCH3)16(H2O)4]ṡ2CH3CO2Hṡ4H2O , and the [Mn12O12(O2CCH2Br)16(H2O)4]ṡ4CH2Cl2 and [Mn12O12(O2CCH2But)16(CH3OH)4]ṡCH3OH complexes. These comparisons reveal important insights into the factors that influence the values of the effective barrier to magnetization reversal, Ueff , deduced on the basis of ac susceptibility measurements. In particular, we find that variations in Ueff can be correlated with the degree of disorder in a crystal which can be controlled by desolvating (drying) samples. This highlights the importance of careful sample handling when making measurements on SMM crystals containing volatile lattice solvents. The HFEPR data additionally provide spectroscopic evidence suggesting that the relatively weak disorder induced by desolvation influences the quantum tunneling interactions and that it is under-barrier tunneling that is responsible for a consistent reduction in Ueff that is found upon drying samples. Meanwhile, the axial anisotropy deduced from HFEPR is found to be virtually identical for all four Mn12 complexes, with no measurable reduction upon desolvation.

  18. Light crystals for ultracold quantum degenerate bosonic gases

    International Nuclear Information System (INIS)

    Arimondo, E.

    2009-01-01

    Full text follows. The experimental realization of quantum degenerate states in ultracold atomic gases has opened the possibility to realize few body systems isolated from external perturbations and at temperatures close to absolute zero. Under these conditions counterintuitive phenomena characteristic of the quantum mechanical evolution may be assessed experimentally. Matter quantum-mechanical waves inside periodic potentials investigated in solid-state physics, where electrons propagate within a crystal lattice. Interfering laser beams create a light-induced spatial periodic potential for ultracold atoms called an 'optical lattice'. Atoms hopping between the lattice periodic potential minima emulate the motion of electrons in a crystal. The creation of one-, two-, and three-dimensional periodic structures in which atoms can be trapped and accelerated, with the possibility of switching or modulating the lattice at will, gives a great flexibility. In addition atomic physicists can tune the lattice's geometry, the rate of hopping, and the push and pull between atoms within the light crystals. So they hope to map the various behaviors of solid-state models. On the basis of the research work performed at Pisa, several processes of quantum mechanics evolution within a spatial periodic potential and associated to the solid-state physics will be presented

  19. Stability of void lattices under irradiation: a kinetic model

    International Nuclear Information System (INIS)

    Benoist, P.; Martin, G.

    1975-01-01

    Voids are imbedded in a homogeneous medium where point defects are uniformly created and annihilated. As shown by a perturbation calculation, the proportion of the defects which are lost on the cavities goes through a maximum, when the voids are arranged on a translation lattice. If a void is displaced from its lattice site, its growth rate becomes anisotropic and is larger in the direction of the vacant site. The relative efficiency of BCC versus FCC void lattices for the capture of point defects is shown to depend on the relaxation length of the point defects in the surrounding medium. It is shown that the rate of energy dissipation in the crystal under irradiation is maximum when the voids are ordered on the appropriate lattice

  20. Stability of void lattices under irradiation: a kinetic model

    International Nuclear Information System (INIS)

    Benoist, P.; Martin, G.

    1975-01-01

    Voids are imbedded in a homogeneous medium where point defects are uniformly created and annihilated. As shown by a perturbation calculation, the proportion of the defects which are lost on the cavities goes through a maximum, when the voids are arranged on a translation lattice. If a void is displaced from its lattice site, its growth the rate becomes anisotropic and is larger in the direction of the vacant site. The relative efficiency of BCC versus FCC void lattices for the capture of point defects is shown to depend on the relaxation length of the point defects in the surrounding medium. It is shown that the rate of energy dissipation in the crystal under irradiation is maximum when the voids are ordered on the appropriate lattice [fr

  1. Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, M.J.; Stutz, C.E.

    1997-07-01

    Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found to be a function of the sputtering pressure and presputter time; under conditions in which the as-deposited stress of the film was {approximately}1.5 GPa compressive delamination of the W film from the substrate was observed. Data from the thermal studies indicated that bcc film stress was not affected by annealing but transformation of the A-15 structure resulted in a large tensile increase in the stress of the film, regardless of the as-deposited stress of the film. In several instances, complete transformation of the A-15 structure into the bcc phase resulted in {ge}1 GPa tensile increase in film stress.

  2. Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films

    International Nuclear Information System (INIS)

    O'Keefe, M.J.; Stutz, C.E.

    1997-01-01

    Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found to be a function of the sputtering pressure and presputter time; under conditions in which the as-deposited stress of the film was approximately1.5 GPa compressive delamination of the W film from the substrate was observed. Data from the thermal studies indicated that bcc film stress was not affected by annealing but transformation of the A-15 structure resulted in a large tensile increase in the stress of the film, regardless of the as-deposited stress of the film. In several instances, complete transformation of the A-15 structure into the bcc phase resulted in ge1 GPa tensile increase in film stress

  3. Adaptation of BAp crystal orientation to stress distribution in rat mandible during bone growth

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, T; Fujitani, W; Ishimoto, T [Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1, Yamada-oka, Suita, Osaka 565-0871 (Japan); Umakoshi, Y [National Institute for Materials Science, 1-2-1, Sengen, Tsukuba, Ibaragi, 305-0471 (Japan)], E-mail: nakano@mat.eng.osaka-u.ac.jp

    2009-05-01

    Biological apatite (BAp) c-axis orientation strongly depends on stress distribution in vivo and tends to align along the principal stress direction in bones. Dentulous mandible is subjected to a complicated stress condition in vivo during chewing but few studies have been carried out on the BAp c-axis orientation; so the adaptation of BAp crystal orientation to stress distribution was examined in rat dentulous mandible during bone growth and mastication. Female SD rats 4 to 14 weeks old were prepared, and the bone mineral density (BMD) and BAp crystal orientation were analyzed in a cross-section of mandible across the first molar focusing on two positions: separated from and just under the tooth root on the same cross-section perpendicular to the mesiodistal axis. The degree of BAp orientation was analyzed by a microbeam X-ray diffractometer using Cu-K{alpha} radiation equipped with a detector of curved one-dimensional PSPC and two-dimensional PSPC in the reflection and transmission optics, respectively. BMD quickly increased during bone growth up to 14 weeks, although it was independent of the position from the tooth root. In contrast, BAp crystal orientation strongly depended on the age and the position from the tooth root, even in the same cross-section and direction, especially along the mesiodistal and the biting axes. With increased biting stress during bone growth, the degree of BAp orientation increased along the mesiodistal axis in a position separated from the tooth root more than that near the tooth root. In contrast, BAp preferential alignment clearly appeared along the biting axis near the tooth root. We conclude that BAp orientation rather than BMD sensitively adapts to local stress distribution, especially from the chewing stress in vivo in the mandible.

  4. Polymorphism of felodipine co-crystals with 4,4'-bipyridine

    DEFF Research Database (Denmark)

    Surov, Artem Olegovich; Solanko, Katarzyna A.; Bond, Andrew

    2014-01-01

    -crystal is the most thermodynamically stable phase. The difference in the crystal lattice energies between different polymorphs of the co-crystal is found to be comparable with that between the polymorphic forms of pure felodipine. The enthalpies of formation of the co-crystals are small, which indicates...

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

    International Nuclear Information System (INIS)

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

    1980-01-01

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

  6. Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan

    2013-01-01

    Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

  7. Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases

    OpenAIRE

    Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.

    2010-01-01

    Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...

  8. Nanoimprinted polymer photonic crystal dye lasers

    DEFF Research Database (Denmark)

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

    2010-01-01

    Optically pumped polymer photonic crystal band-edge dye lasers are presented. The photonic crystal is a rectangular lattice providing laser feedback as well as an optical resonance for the pump light. The lasers are defined in a thin film of photodefinable Ormocore hybrid polymer, doped...

  9. Development of polarization magneto-optics of paramagnetic crystals

    International Nuclear Information System (INIS)

    Zapasskij, V.S.; Feofilov, P.P.

    1975-01-01

    The present status of the polarization magnetooptics of crystals containing paramagnetic ion impurities is reviewed. The paper discusses methods of measurement of circular magnetic anisotropy and results obtained in recent years in the field of conventional magnetooptical studies, e.g., magnetooptical activity in absorption spectra for intrinsic and impurity defects in crystals, luminescence magnetic circular polarization, anisotropy of magnetooptical activity in cubic crystals. The main emphasis is placed on new trends in polarization magnetooptics: studies of interactions of a spin system with a lattice, in particular, spin-lattice relaxation and spin memory effect, experiments in the double radiooptical resonance, studies of optical spin relaxation, nonlinear magnetooptical effects, etc

  10. Quantitative analysis of thermal diffuse X-ray scattering on single crystals. Communication 2. FCC metals

    International Nuclear Information System (INIS)

    Najsh, V.E.; Novoselova, T.V.; Sagaradze, I.V.; Kvyatkovskij, B.E.; Fedorov, V.I.; Chernenkov, Yu.P.

    1994-01-01

    With the use of X-ray diffractometer a study was made into the intensity of diffuse scattering in Ni crystals with FCC lattice. Earlier accomplished quantitative analysis for BCC crystals was extended to FCC lattices. Comparative evaluation was made for cooperative thermal oscillation patterns and corresponding diffuse scattering in crystals of various structures. Measurements on FCC crystals were carried out at room temperature using AgK a lpha-radiation in 96 points of Ni crystal. 8 refs., 4 figs

  11. Reactive Stresses in Ni49Fe18Ga27Co6 Shape-Memory-Alloy Single Crystals

    Science.gov (United States)

    Averkin, A. I.; Krymov, V. M.; Guzilova, L. I.; Timashov, R. B.; Soldatov, A. V.; Nikolaev, V. I.

    2018-03-01

    The reactive stresses induced in Ni49Fe18Ga27Co6-alloy single crystals during martensitic transformations with a limited possibility of shape-memory-strain recovery have been experimentally studied. The data on these crystals are compared with the results obtained previously for Cu-Al-Ni, Ni-Ti, and Ni‒Fe-Ga crystals. The potential of application of the Ni49Fe18Ga27Co6 single crystals in designing drives and power motors is demonstrated.

  12. Orientation of quartz nanocrystallites in the silicon lattice

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Basing on the study of medium angle diffuse X-ray scattering from silicon single crystals, it was supposed to be due to rod like oxygen precipitates. It was shown by us later, that depending on the growth conditions, as-grown silicon single crystals contain quartz crystal inclusions at an amount of 0.3 / 0.5 wt. % . Since it has not been done before, the aim of this work was to study the shape and orientation of quartz inclusions relative to a chosen axis of the silicon crystal lattice. We studied p-Si single crystals of one crucible origin with the specific resistance ρ 0 ≅ 1/10 Ohm· cm with different cut surfaces parallel to the crystal planes (100), (110) and (111). All the samples were cut and polished in the bar form with the sizes of 20x12x1.5 mm 3 . The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N O ≅ 2/ 4 x10 17 cm -3 and N B ≅ 3· 10 1 5 c m -3 . Structure was analyzed at the set-up DRON-3M ( λ Cu K∝ = 0.1542 nm) at the room temperature in the angle range of angles 2Θ = 10/70 deg. The diffraction spectrum of the sample cut in (111) includes 5 selective reflections and the only diffuse one at 2Θ≅ 20 deg (d/n≅ 0.3136 nm), having a large width 0.1032 rad, which is due to presence of amorphous SiO x precipitate in the surface layer of silicon single crystal. The dominative selective line with d/n≅ 0.3136 nm at 2Θ≅ 28.5 deg belongs to reflection from (111) planes of the silicon lattice and the second less intensive one comes from the same planes with Cu K β radiation. Another selective reflection of a medium intensity at 2Θ≅ 59 deg with d/n≅ 0.1568 nm is its second order (222) and forbidden by the weakening laws. The rest narrow but weak lines with d/n≅ 0.3345 nm at 2Θ≅ 26.6 deg and 0.2468 nm at≅36.6 deg correspond to the diffraction reflections (101) and (110) from the crystal quartz lattice SiO 2 . It means that they are caused by optimally oriented quartz

  13. Internal Stresses in Wires for High Field Magnets

    International Nuclear Information System (INIS)

    Han, K.; Embury, J.D.; Lawson, A.C.; Von Dreele, R.B.; Wood, J.T.; Richardson, J.W. Jr.

    1998-01-01

    The codeformation of Cu-Ag or Cu-Nb composite wires used for high field magnets has a number of important microstructural consequences, including the production of very fine scale structures, the development of very high internal surface area to volume ratios during the drawing and the storage of defects at interphase interfaces. In addition, the fabrication and codeformation of phases which differ in crystal structure, thermal expansion, elastic modulus and lattice parameter lead to the development of short wavelength internal stresses. These internal stresses are measured by neutron diffraction and transmission electron microscopy as a function of the imposed drawing strain. The internal stresses lead to important changes in elastic plastic response which can be related to both magnet design and service life and these aspects will be described in detail

  14. Effect of tensile mean stress on fatigue behavior of single-crystal and directionally solidified superalloys

    Science.gov (United States)

    Kalluri, Sreeramesh; Mcgaw, Michael A.

    1990-01-01

    Two nickel base superalloys, single crystal PWA 1480 and directionally solidified MAR-M 246 + Hf, were studied in view of the potential usage of the former and usage of the latter as blade materials for the turbomachinery of the space shuttle main engine. The baseline zero mean stress (ZMS) fatigue life (FL) behavior of these superalloys was established, and then the effect of tensile mean stress (TMS) on their FL behavior was characterized. At room temperature these superalloys have lower ductilities and higher strengths than most polycrystalline engineering alloys. The cycle stress-strain response was thus nominally elastic in most of the fatigue tests. Therefore, a stress range based FL prediction approach was used to characterize both the ZMS and TMS fatigue data. In the past, several researchers have developed methods to account for the detrimental effect of tensile mean stress on the FL for polycrystalline engineering alloys. However, the applicability of these methods to single crystal and directionally solidified superalloys has not been established. In this study, these methods were applied to characterize the TMS fatigue data of single crystal PWA 1480 and directionally solidified MAR-M 246 + Hf and were found to be unsatisfactory. Therefore, a method of accounting for the TMS effect on FL, that is based on a technique proposed by Heidmann and Manson was developed to characterize the TMS fatigue data of these superalloys. Details of this method and its relationship to the conventionally used mean stress methods in FL prediction are discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Quanlong [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Bai, Qingshun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Chen, Jiaxuan, E-mail: wangquanlong0@hit.edu.cn [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Guo, Yongbo [Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China); Xie, Wenkun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Center for Precision Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2015-11-15

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  17. Effect of loading orientations on the microstructure and property of Al−Cu single crystal during stress aging

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jiqiang [School of Material Science and Engineering, Central South University, Changsha 410083 (China); Chen, Zhiguo, E-mail: zgchen@mail.csu.edu.cn [School of Material Science and Engineering, Central South University, Changsha 410083 (China); Hunan University of Humanities, Science and Technology, Loudi 417000 (China); Deng, Yunlai [School of Material Science and Engineering, Central South University, Changsha 410083 (China); State Key Laboratory of High Performance and Complex Manufacturing, Central South University, Changsha 410083 (China); Guo, Xiaobin; Ren, Jieke [School of Material Science and Engineering, Central South University, Changsha 410083 (China)

    2016-07-15

    The precipitation behavior and property of Al−Cu alloy during stress aging under various loading orientations were investigated using single crystals. The resulting microstructures and the strength property were examined by transmission electron microscope (TEM) and compression test, respectively, and the effect of the distribution of θ′-plates on strength property were discussed. The results show that the precipitation distribution of θ′ was significantly affected by the loading orientation during stress aging of Al−Cu single crystals. Loading along close to 〈011〉{sub Al} directions provided more uniform precipitation distribution of θ′ as compared to loading along close to 〈001〉{sub Al} directions, and therefore provided higher strengthening stress of the θ′-plates for the stress aging sample. The results suggested that regulating the distribution of θ′ and therefore improving strength property are possible via controlling the loading orientation during stress aging. - Highlights: • We studied the effect of loading directions on stress aging of Al−Cu single crystal. • Precipitation distribution of θ′ was noticeably affected by the loading direction. • Loading along close to 〈011〉{sub Al} directions reduced the stress-orienting effect. • The strength property is closely related to the precipitation distribution of θ′. • It is possible to regulate the distribution of θ′ and improve strength property.

  18. Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

    International Nuclear Information System (INIS)

    Muehlbauer, Sebastian C.

    2009-01-01

    In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of ∝ 10 4 . We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c 44 by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying crystal symmetry. The

  19. Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Muehlbauer, Sebastian C

    2009-12-10

    In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of {proportional_to} 10{sup 4}. We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c{sub 44} by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying

  20. Thin-walled reinforcement lattice structure for hollow CMC buckets

    Science.gov (United States)

    de Diego, Peter

    2017-06-27

    A hollow ceramic matrix composite (CMC) turbine bucket with an internal reinforcement lattice structure has improved vibration properties and stiffness. The lattice structure is formed of thin-walled plies made of CMC. The wall structures are arranged and located according to high stress areas within the hollow bucket. After the melt infiltration process, the mandrels melt away, leaving the wall structure to become the internal lattice reinforcement structure of the bucket.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-07-01

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

  2. Dispersion relations of elastic waves in one-dimensional piezoelectric/piezomagnetic phononic crystal with initial stresses.

    Science.gov (United States)

    Guo, Xiao; Wei, Peijun

    2016-03-01

    The dispersion relations of elastic waves in a one-dimensional phononic crystal formed by periodically repeating of a pre-stressed piezoelectric slab and a pre-stressed piezomagnetic slab are studied in this paper. The influences of initial stress on the dispersive relation are considered based on the incremental stress theory. First, the incremental stress theory of elastic solid is extended to the magneto-electro-elasto solid. The governing equations, constitutive equations, and boundary conditions of the incremental stresses in a magneto-electro-elasto solid are derived with consideration of the existence of initial stresses. Then, the transfer matrices of a pre-stressed piezoelectric slab and a pre-stressed piezomagnetic slab are formulated, respectively. The total transfer matrix of a single cell in the phononic crystal is obtained by the multiplication of two transfer matrixes related with two adjacent slabs. Furthermore, the Bloch theorem is used to obtain the dispersive equations of in-plane and anti-plane Bloch waves. The dispersive equations are solved numerically and the numerical results are shown graphically. The oblique propagation and the normal propagation situations are both considered. In the case of normal propagation of elastic waves, the analytical expressions of the dispersion equation are derived and compared with other literatures. The influences of initial stresses, including the normal initial stresses and shear initial stresses, on the dispersive relations are both discussed based on the numerical results. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Large-area photonic crystals

    Science.gov (United States)

    Ruhl, Tilmann; Spahn, Peter; Hellmann, Gotz P.; Winkler, Holger

    2004-09-01

    Materials with a periodically modulated refractive index, with periods on the scale of light wavelengths, are currently attracting much attention because of their unique optical properties which are caused by Bragg scattering of the visible light. In nature, 3d structures of this kind are found in the form of opals in which monodisperse silica spheres with submicron diameters form a face-centered-cubic (fcc) lattice. Artificial opals, with the same colloidal-crystalline fcc structure, have meanwhile been prepared by crystallizing spherical colloidal particles via sedimentation or drying of dispersions. In this report, colloidal crystalline films are introduced that were produced by a novel technique based on shear flow in the melts of specially designed submicroscopic silica-polymer core-shell hybrid spheres: when the melt of these spheres flows between the plates of a press, the spheres crystallize along the plates, layer by layer, and the silica cores assume the hexagonal order corresponding to the (111) plane of the fcc lattice. This process is fast and yields large-area films, thin or thick. To enhance the refractive index contrast in these films, the colloidal crystalline structure was inverted by etching out the silica cores with hydrofluoric acid. This type of an inverse opal, in which the fcc lattice is formed by mesopores, is referred to as a polymer-air photonic crystal.

  4. Thermal Stress Analysis of a Continuous and Pulsed End-Pumped Nd:YAG Rod Crystal Using Non-Classic Conduction Heat Transfer Theory

    Science.gov (United States)

    Mojahedi, Mahdi; Shekoohinejad, Hamidreza

    2018-02-01

    In this paper, temperature distribution in the continuous and pulsed end-pumped Nd:YAG rod crystal is determined using nonclassical and classical heat conduction theories. In order to find the temperature distribution in crystal, heat transfer differential equations of crystal with consideration of boundary conditions are derived based on non-Fourier's model and temperature distribution of the crystal is achieved by an analytical method. Then, by transferring non-Fourier differential equations to matrix equations, using finite element method, temperature and stress of every point of crystal are calculated in the time domain. According to the results, a comparison between classical and nonclassical theories is represented to investigate rupture power values. In continuous end pumping with equal input powers, non-Fourier theory predicts greater temperature and stress compared to Fourier theory. It also shows that with an increase in relaxation time, crystal rupture power decreases. Despite of these results, in single rectangular pulsed end-pumping condition, with an equal input power, Fourier theory indicates higher temperature and stress rather than non-Fourier theory. It is also observed that, when the relaxation time increases, maximum amounts of temperature and stress decrease.

  5. Comment on 'Magic strains in face-centered and body-centered cubic lattices'

    Energy Technology Data Exchange (ETDEWEB)

    Waal, B.W. van de (Technische Hogeschool Twente, Enschede (Netherlands). Dept. of Physics)

    1990-03-01

    The six symmetry-related so-called magic strain tensors that transform a f.c.c. lattice (or a b.c.c. lattice) into itself, which have been reported recently by Boyer are not unique: An infinite number of displacement tensors can be constructed that transform one lattice into another, or into itself. There is no connection with fivefold symmetry, other than that in any f.c.c. crystal. (orig.).

  6. Rotation of dust plasma crystals in an axial magnetic field

    International Nuclear Information System (INIS)

    Cheung, F.; Prior, N.; Mitchell, L.

    2000-01-01

    Full text: Micron-sized melamine formaldehyde particles were introduced into argon plasma. As a result, the particles were negatively charged due to collision with the electrons within the plasma. With the right conditions, these particles formed a stable macroscopic crystal lattice, known as dust plasma crystal. In our experiment we conduct at Flinders University, we apply an external axial magnetic field to various configurations of dust plasma crystal. These configurations include small crystal lattices consisting of one to several particles, and large crystal lattices with many hundreds of particles. The magnetic field strength ranged from 0-32G and was uniform over the extent of the crystal. The crystals were observed to be rotating collectively in the left-handed direction under the influence of the axial magnetic field. In the case of the large crystals, the angular velocity was about 2 complete rotations per minute and was proportional to the applied magnetic field. The angular velocity changes only slightly depending on the plasma conditions. Neither radial variance in the angular velocity nor shear velocity in the vertical direction was observed in the crystal's rotational motion. In the case of the small crystals, we managed to rotate 2-6 particles (whether they are planar, 2 layers or tetrahedral). We discovered that the ease and the uniformity of the rotation of the different crystals increase as its rotational symmetry increases. Also an increase in the magnetic field strength will correspond to an increase in the angular velocity. Crystals in the shape of an annulus were also tested for theoretical reasons. The poster presentation will contain the experimental procedures, a detailed analysis and an explanation for such dust plasma crystal rotational motion

  7. Tunable surface configuration of skyrmion lattices in cubic helimagnets

    Science.gov (United States)

    Wan, Xuejin; Hu, Yangfan; Wang, Biao

    2018-06-01

    In bulk helimagnets, the presence of magnetic skyrmion lattices is always accompanied by a periodic stress field due to the intrinsic magnetoelastic coupling. The release of this nontrivial stress field at the surface causes a periodic displacement field, which characterizes a novel particle-like property of skyrmion: its surface configuration. Here, we derive the analytical solution of this displacement field for semi-infinite cubic helimagnet with the skyrmion magnetization approximated by the triple-Q representation. For MnSi, we show that the skyrmion lattices have a bumpy surface configuration characterized by periodically arranged peaks with a characteristic height of about 10‑13 m. The pattern of the peaks can be controlled by varying the strength of the applied magnetic field. Moreover, we prove that the surface configuration varies together with the motion and deformation of the skyrmion lattices. As a result, the surface configuration can be tuned by application of electric current, mechanical loads, as well as any other effective external fields for skyrmion lattices.

  8. Entropy-driven crystal formation on highly strained substrates

    KAUST Repository

    Savage, John R.; Hopp, Stefan F.; Ganapathy, Rajesh; Gerbode, Sharon J.; Heuer, Andreas; Cohen, Itai

    2013-01-01

    the crucial role of entropy in heteroepitaxy in this technologically important regime. Ultimately, this entropic component of lattice mismatched crystal growth could be used to develop unique methods for heterogeneous nucleation and growth of single crystals

  9. Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

    Science.gov (United States)

    Degirmenci, Elif; Landais, Pascal

    2013-10-20

    Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

  10. Deviatoric stress: a nuisance or a gold mine?

    International Nuclear Information System (INIS)

    Bassett, W A

    2006-01-01

    Both synchrotron radiation and deviatoric stress were once considered to be nuisances. Now synchrotron radiation is one of the most important tools available to scientists of all disciplines and deviatoric stress is one of the most useful aspects of x-ray diffraction at extreme conditions. Samples in high-pressure devices are under true hydrostatic pressure only when surrounded by a fluid, thus limiting true hydrostatic pressure studies at ambient temperatures to pressures below about 11 GPa. Elevated temperature is able to extend this limit but has rarely been used for this purpose. Instead, noble gases have been used as pressure media as their solids are especially soft. Deviatoric stress and resultant anisotropic elastic strain in solid samples and solid media have led to many subtle errors in determinations of elastic properties and crystal structures, especially in the days before it was realized that they could be measured and were potentially a valuable source of information. In recent years, measuring anisotropic elastic strain by x-ray diffraction has provided new insights into materials strength, elastic properties, crystal structures, mechanisms of phase transitions, slip systems, lattice preferred orientation, and, of course, ways to make corrections when deviatoric stress is indeed a nuisance

  11. Buried Porous Silicon-Germanium Layers in Monocrystalline Silicon Lattices

    Science.gov (United States)

    Fathauer, Robert W. (Inventor); George, Thomas (Inventor); Jones, Eric W. (Inventor)

    1998-01-01

    Monocrystalline semiconductor lattices with a buried porous semiconductor layer having different chemical composition is discussed and monocrystalline semiconductor superlattices with a buried porous semiconductor layers having different chemical composition than that of its monocrystalline semiconductor superlattice are discussed. Lattices of alternating layers of monocrystalline silicon and porous silicon-germanium have been produced. These single crystal lattices have been fabricated by epitaxial growth of Si and Si-Ge layers followed by patterning into mesa structures. The mesa structures are strain etched resulting in porosification of the Si-Ge layers with a minor amount of porosification of the monocrystalline Si layers. Thicker Si-Ge layers produced in a similar manner emitted visible light at room temperature.

  12. Electrostatic instability of some jellium model lattices of high symmetry to their plane cleavage

    International Nuclear Information System (INIS)

    Kholopov, Eugene V; Kalashnikova, Vita V

    2007-01-01

    Jellium model structures composed of regular lattices of equal point charges immersed in a neutralizing uniform background are considered. The symmetric description eliminating the effect of potentials without transverse structural modulation is extended to the events specified by alternating distances between point-charge planes. Based on modulated potentials typical of plane-wise lattice summation, the energy of interaction between two semi-infinite hemi-crystals divided by a plane is obtained for cubic and hexagonal crystals, where all the characteristic orientations of the cleavage plane are taken into account. We found that simple cubic and hexagonal lattices, as well as cubic and hexagonal diamond structures, turn out to be unstable for certain cleavage planes. The most favourable cleavage planes for the bcc, fcc and hcp structures are also emphasized

  13. Photonic crystals: features and applications (physics research and technology)

    CERN Document Server

    2013-01-01

    The present book is focused on the study of unprecedented control and manipulation of light by photonic crystals (PCs) and their applications. These are micro- or usually nano-structures composed of periodic indexes of refraction of dielectrics with high refractive index contrast. They exhibit optical frequency band gaps in analogy to electronic bands for a periodic potential of a semiconductor crystal lattice. The gemstone opal and butterflys feathers colours are already referred to as natural examples of photonic crystals. The characteristics of such supper-lattices were first reported by Yablonovitch in 1987. The exploitation of photonic crystals is a promising tool in communication, sensors, optical computing, and nanophotonics. Discussed are the various features of one-dimensional (1D) and two-dimensional (2D) photonic crystals, photonic quasi crystals, heterostuctures and PC fibres under a variety of conditions using several materials, and metamaterials. It also focuses on the applications of PCs in opt...

  14. Experimental evidence for flux-lattice melting. [in high-Tc superconductors

    Science.gov (United States)

    Farrell, D. E.; Rice, J. P.; Ginsberg, D. M.

    1991-01-01

    A low-frequency torsional oscillator has been used to search for flux-lattice melting in an untwinned single crystal of YBa2Cu3O(7-delta). The damping of the oscillator was measured as a function of temperature, for applied magnetic fields in the range H = 0.1-2.3 T. A remarkably sharp damping peak has been located. It is suggested that the temperature of the peak corresponds to the melting point of the Abrikosov flux lattice.

  15. About some practical aspects of X-ray diffraction : From single crystal to powders

    Energy Technology Data Exchange (ETDEWEB)

    Giacovazzo, C [Bari Univ. (Italy). Dip. Geomineralogico

    1996-09-01

    An ideal polycrystalline material or power is an ensemble of a very large number of randomly oriented crystallites. It is shown the effect that this random orientation has on the diffraction of a specimen assumed to contain only one reciprocal lattice node. The most remarkable difference with the single-crystal case is that now must think of scattering vectors not as lying on discrete nodes of reciprocal lattice vectors, the distances from the single-crystal reciprocal lattice nodes to the origin of reciprocal space.

  16. About some practical aspects of X-ray diffraction : From single crystal to powders

    International Nuclear Information System (INIS)

    Giacovazzo, C.

    1996-01-01

    An ideal polycrystalline material or power is an ensemble of a very large number of randomly oriented crystallites. It is shown the effect that this random orientation has on the diffraction of a specimen assumed to contain only one reciprocal lattice node. The most remarkable difference with the single-crystal case is that now must think of scattering vectors not as lying on discrete nodes of reciprocal lattice vectors, the distances from the single-crystal reciprocal lattice nodes to the origin of reciprocal space

  17. Experimental and theoretical investigation of lattice defect structures in a series of Zn, Fe-doped nonstoichiometric lithium niobate

    International Nuclear Information System (INIS)

    Guo Fengyun; Lue Qiang; Sun Liang; Li Hongtao; Zhen Xihe; Xu Yuheng; Zhao Liancheng

    2006-01-01

    A series of the double doped lithium niobate (LiNbO 3 , LN) single crystals had been grown by Czochralski method. The Curie temperatures of various concentrations doped or [Li]/[Nb] ratio LN crystals measured by differential thermal analysis (DTA) were discussed to investigate their defect structures with Safaryan et al. new approach about LN lattice defect structure using Curie temperatures calculated. Infrared transmission spectra of various concentrations doped were used to compare the investigation above. The results show that the lithium vacancy model is the more probable to describe the lattice defect structure of the doped LN single crystal

  18. Stress induced birefringence in hybrid TIR/PBG guiding solid photonic crystal fibers

    DEFF Research Database (Denmark)

    Lyngsøe, Jens Kristian; Mangan, Brian Joseph; Olausson, Christina Bjarnal Thulin

    2010-01-01

    We report on two types of polarization maintaining solid photonic crystal fibers that guide light by a combination of a photonic bandgap and total internal reflection. Group and phase birefringence are studied experimentally and numerically for stress-applying parts made from B-doped and F......-doped silica. The stress field originating from Ge-doped cladding rods is shown to interfere with the stress field from the B-doped and F-doped rods. Since the differential expansion coefficients of B-doped and F-doped silica have opposite signs this interference is either destructive or constructive....... Consequently, we found that the fiber with F-doped stress applying parts has the highest modal phase birefringence, and polarization cross talk is characterized by an h-parameter below 3⋅10−5 m−1....

  19. Growth and Characterization of ZnTe Crystal

    International Nuclear Information System (INIS)

    Nann Thazin

    2011-12-01

    High quality ZnTe crystals have been synthesized by vapor Transport method. The grown crystals were p-type. The concentration and mobility were 2.5 x 10 16 cm-3 and 23 cm2/Vs at 300K, according to Hall effect measurements. Surface morphology of the crystal was investigated by scanning electron microscope (SEM). Crystal orientation and lattice parameters of the crystals were also analysed by XRD. From X-ray diffraction studies the structure of the grown crystals were found to be zinc-blende. The crystal emitted light in the visible range at room temperature.

  20. Numerical simulation of flow behavior in tight lattice rod bundle

    International Nuclear Information System (INIS)

    Yu Yiqi; Yang Yanhua; Gu Hanyang; Cheng Xu; Song Xiaoming; Wang Xiaojun

    2009-01-01

    The Numerical investigation is performed on the air turbulent flow in triangular rod bundle array. Based on the experimental data, the eddy viscosity turbulent model and the Reynold stress turbulent model are evaluated to simulate the flow behavior in the tight lattice. The results show that SSG Reynolds Stress Model has shown superior predictive performance than other Reynolds-stress models, which indicates that the simulation of the anisotropy of the turbulence is significant in the tight lattice. The result with different Reynolds number and geometry shows that the magnitude of the secondary flow is almost independent of the Reynolds number, but it increases with the decrease of the P/D. (authors)

  1. Inelastic light scattering in crystals

    Science.gov (United States)

    Sushchinskii, M. M.

    The papers presented in this volume are concerned with a variety of problems in optics and solid state physics, such as Raman scattering of light in crystals and disperse media, Rayleigh and inelastic scattering during phase transitions, characteristics of ferroelectrics in relation to the general soft mode concept, and inelastic spectral opalescence. A group-theory approach is used to classify the vibrational spectra of the crystal lattice and to analyze the properties of idealized crystal models. Particular attention is given to surface vibrational states and to the study of the surface layers of crystals and films by light scattering methods.

  2. Non-conservative dynamics of lattice sites near a migrating interface in a diffusional phase transformation

    International Nuclear Information System (INIS)

    Yang, T.; Gao, Y.; Wang, D.; Shi, R.P.; Chen, Z.; Nie, J.F.; Li, J.; Wang, Y.

    2017-01-01

    Migration of phase boundaries in crystalline solids eliminates one set of lattice sites and establishes another. Using a combination of phase field crystal modeling and crystallographic analysis, we present here a complete atomistic description of the migration mechanism of a high-index planar interface during a diffusional hexagon to square phase transformation. In particular we show that a terrace-step interface advances macroscopically in the form of growth ledges, while microscopically its migration occurs by opposite shearing on the terraces and a one-to-two splitting of lattice sites, giving a new class of lattice site correspondence and superabundant vacancies. In addition, a new approach capable of finding a critical nucleus with atomic resolution is developed by combining the phase field crystal energetics with the free-end nudged elastic band algorithm.

  3. All optical detection of picosecond spin-wave dynamics in 2D annular antidot lattice

    Science.gov (United States)

    Porwal, Nikita; Mondal, Sucheta; Choudhury, Samiran; De, Anulekha; Sinha, Jaivardhan; Barman, Anjan; Datta, Prasanta Kumar

    2018-02-01

    Novel magnetic structures with precisely controlled dimensions and shapes at the nanoscale have potential applications in spin logic, spintronics and other spin-based communication devices. We report the fabrication of 2D bi-structure magnonic crystal in the form of embedded nanodots in a periodic Ni80Fe20 antidot lattice structure (annular antidot) by focused ion-beam lithography. The spin-wave spectra of the annular antidot sample, studied for the first time by a time-resolved magneto-optic Kerr effect microscopy show a remarkable variation with bias field, which is important for the above device applications. The optically induced spin-wave spectra show multiple modes in the frequency range 14.7 GHz-3.5 GHz due to collective interactions between the dots and antidots as well as the annular elements within the whole array. Numerical simulations qualitatively reproduce the experimental results, and simulated mode profiles reveal the spatial distribution of the spin-wave modes and internal magnetic fields responsible for these observations. It is observed that the internal field strength increases by about 200 Oe inside each dot embedded within the hole of annular antidot lattice as compared to pure antidot lattice and pure dot lattice. The stray field for the annular antidot lattice is found to be significant (0.8 kOe) as opposed to the negligible values of the same for the pure dot lattice and pure antidot lattice. Our findings open up new possibilities for development of novel artificial crystals.

  4. Multiple x-ray diffraction applied to the study of crystal impurities

    International Nuclear Information System (INIS)

    Cardoso, L.P.

    1983-06-01

    The x-ray multiple diffraction technique is used in the study of impurities concentration and localization in the crystal lattice, implemented with the fundamental observation that the impurities cannot be distributed with the same spatial group symmetry of the crystal. This fact could introduce scattered intensity in the crystal reciprocal lattice forbidden nodes. This effect was effectively observed in multiple diffraction diagrams, where a reinforcement of the scattered intensity in the pure crystal is produced, when choosing conveniently the involved reflections. The reflectivity theory was developed in the kinematic case, which take into account the scattering by the impurities atoms, and the analysis showed that, in the first approximation, the impurities can influence both in the allowed and forbidden positions for the pure crystal. (L.C.J.A.)

  5. Effect of radiation induced defects and incompatibility elastic stresses on the diffusion of ion implantated boron in silicon at the pulse annealing

    International Nuclear Information System (INIS)

    Stel'makh, V.F.; Suprun-Belevich, Yu.R.; Chelyadinskij, A.R.

    1987-01-01

    For determination of radiation defects effect on diffusion of the implanted boron in silicon at the pulse annealing, silicon crystals, implanted with boron, preliminary irradiated by silicon ions of different flows for checked defects implantation, were investigated. Silicon crystals additionally implanted by Ge + ions were investigated to research the effect of the incompatibility elastic stresses, emerging in implanted structures due to lattice periods noncoincidence in matrix and alloyed layers, on implanted boron diffusion. It is shown, that abnormally high values of boron diffusion coefficients in silicon at the pulse annealing are explained by silicon interstitial atom participation in redistribution of diffusing boron atoms by two diffusion channels - interstitial and vacation - and by incompatibility elastic stresses effect on diffusion

  6. Size dependences of crystal structure and magnetic properties of DyMnO{sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Tajiri, T., E-mail: tajiri@fukuoka-u.ac.jp [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan); Terashita, N.; Hamamoto, K.; Deguchi, H.; Mito, M. [Faculty of Engineering, Kyushu Institute of Technology, Kitakyushu 804-8550 (Japan); Morimoto, Y.; Konishi, K. [Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Kohno, A. [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan)

    2013-11-15

    We synthesized DyMnO{sub 3} nanoparticles with particle sizes of about 7.5–15.3 nm in the pores of mesoporous silica and investigated their crystal structure and magnetic properties. As the particle size decreased, the lattice constants of the DyMnO{sub 3} nanoparticles deviated from those of the bulk crystal, and the Jahn–Teller distortion in the nanoparticle systems decreased. In addition, the estimated lattice strain increased with decreasing particle size. The DyMnO{sub 3} nanoparticles showed superparamagnetic behavior. The blocking temperature and the coercive field increased with decreasing particle size, and this behavior was contrary to the usual magnetic size effects. It is deduced that these unique size dependences of the magnetic properties for the DyMnO{sub 3} nanoparticles were derived from the changes in lattice constants and lattice strain. The anisotropic lattice deformation in the crystal structure of the nanoparticles induces an enhancement of the magnetic anisotropy, which results in the increase in blocking temperature and coercive field with decreasing particle size. - Highlights: • We successfully synthesized DyMnO{sub 3} nanoparticles with particle size of 7.5–15.3 nm. • Lattice strain increases with decreasing particle size. • Lattice constants exhibit anisotropic change with decreasing particle size. • Distortion of crystal structure leads to enhancement of magnetic anisotropy constant. • Blocking temperature and coercive field increases with decreasing particle size.

  7. Effect of reactor neutron radiation and temperature on the structure of InP single crystals

    International Nuclear Information System (INIS)

    Bojko, V.M.; Kolin, N.G.; Merkurisov, D.I.; Bublik, V.T.; Voronova, M.I.; Shcherbachev, K.D.

    2006-01-01

    The structural characteristics of InP single crystals have been investigated depending on the radiation effects produced by fast and full spectrum neutrons and subsequent heat treatment. A lattice period in InP single crystals decreases under neutron irradiation. Fast neutrons make the main contribution into the change of the lattice period. Availability of the thermal neutrons initiates the formation of Sn atoms, but does not make a significant influence on the change of the lattice period. Heat treatment of the irradiated samples up to 600 deg C causes the annealing of radiation defects and recovery of the lattice period. With increasing neutron fluences a lattice period becomes even higher than before irradiation [ru

  8. Lattice Transparency of Graphene.

    Science.gov (United States)

    Chae, Sieun; Jang, Seunghun; Choi, Won Jin; Kim, Youn Sang; Chang, Hyunju; Lee, Tae Il; Lee, Jeong-O

    2017-03-08

    Here, we demonstrated the transparency of graphene to the atomic arrangement of a substrate surface, i.e., the "lattice transparency" of graphene, by using hydrothermally grown ZnO nanorods as a model system. The growth behaviors of ZnO nanocrystals on graphene-coated and uncoated substrates with various crystal structures were investigated. The atomic arrangements of the nucleating ZnO nanocrystals exhibited a close match with those of the respective substrates despite the substrates being bound to the other side of the graphene. By using first-principles calculations based on density functional theory, we confirmed the energetic favorability of the nucleating phase following the atomic arrangement of the substrate even with the graphene layer present in between. In addition to transmitting information about the atomic lattice of the substrate, graphene also protected its surface. This dual role enabled the hydrothermal growth of ZnO nanorods on a Cu substrate, which otherwise dissolved in the reaction conditions when graphene was absent.

  9. Temperature effect on phase states of quartz nano-crystals in silicon single crystal

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

  10. Neutron-diffraction measurements of stress

    International Nuclear Information System (INIS)

    Holden, T.M.

    1995-01-01

    Experiments on bent steam-generator tubing have shown that different diffraction peaks, (1 1 1) or (0 0 2), give different results for the sign and magnitude of the stress and strain. From an engineering standpoint, the macroscopic stress field cannot be both positive and negative in the same volume, so this difference must be due to intergranular effects superposed on the macroscopic stress field. Uniaxial tensile test experiments with applied stresses beyond the 0.2% offset yield stress, help to understand this anomaly, by demonstrating the different strain response to applied stress along different crystallographic axes.When Zr-alloys are cooled from elevated temperatures, thermal stresses always develop, so that it is difficult to obtain a stress-free lattice spacing from which residual strains may be derived. From measurements of the temperature dependence of lattice spacing, the temperature at which the thermal stresses vanish may be found. From the lattice spacing at this temperature the stress-free lattice spacings at room temperature can be obtained readily.To interpret the measured strains in terms of macroscopic stress fields it is necessary to know the diffraction elastic constants. Neutron diffraction measurements of the diffraction elastic constants in a ferritic steel for the [1 1 0], [0 0 2] and [2 2 2] crystallographic axes, in directions parallel and perpendicular to the applied stress are compared with theoretical diffraction elastic constants. (orig.)

  11. Crystal field analysis of Pm$^{3+}$ (4$^{f4}) and Sm$^{3+}$ (4$^{f5}) and lattice location studies of $^{147}$Nd and $^{147}$Pm in w-AlN

    CERN Document Server

    Vetter, Ulrich; Nijjar, Anmol S; Zandi, Bahram; Öhl, Gregor; Wahl, Ulrich; De Vries, Bart; Hofsäss, Hans; Dietrich, Marc

    2006-01-01

    We report a detailed crystal field analysis of Pm3+ and Sm3+ as well as lattice location studies of 147Pm and 147Nd in 2H-aluminum nitride (w-AlN). The isotopes of mass 147 were produced by nuclear fission and implanted at an energy of 60 keV. The decay chain of interest in this work is 147Nd→147Pm→147Sm (stable). Lattice location studies applying the emission channeling technique were carried out using the β− particles and conversion electrons emitted in the radioactive decay of 147Nd→147Pm. The samples were investigated as implanted, and also they were investigated after annealing to temperatures of 873 K as well as 1373 K. The main fraction of about 60% of both 147Pm as well as 147Nd atoms was located on substitutional Al sites in the AlN lattice; the remainder of the ions were located randomly within the AlN lattice. Following radioactive decay of 147Nd, the cathodoluminescence spectra of Pm3+ and Sm3+ were obtained between 500 nm and 1050 nm at sample temperatures between 12 K and 300 K. High-re...

  12. Lattice damage assessment and optical waveguide properties in LaAlO3 single crystal irradiated with swift Si ions

    Science.gov (United States)

    Liu, Y.; Crespillo, M. L.; Huang, Q.; Wang, T. J.; Liu, P.; Wang, X. L.

    2017-02-01

    As one of the representative ABO3 perovskite-structured oxides, lanthanum aluminate (LaAlO3) crystal has emerged as one of the most valuable functional-materials, and has attracted plenty of fundamental research and promising applications in recent years. Electronic, magnetic, optical and other properties of LaAlO3 strongly depend on its crystal structure, which could be strongly modified owing to the nuclear or electronic energy loss deposited in an ion irradiation environment and, therefore, significantly affecting the performance of LaAlO3-based devices. In this work, utilizing swift (tens of MeV) Si-ion irradiation, the damage behavior of LaAlO3 crystal induced by nuclear or electronic energy loss has been studied in detail utilizing complementary characterization techniques. Differing from other perovskite-structured crystals in which the electronic energy loss could lead to the formation of an amorphous region based on the thermal spike mechanism, in this case, intense electronic energy loss in LaAlO3 will not induce any obvious structural damage. The effects of ion irradiation on the mechanical properties, including hardness increase and elastic modulus decrease, have been confirmed. On the other hand, considering the potential applications of LaAlO3 in the field of integrated optoelectronics, the optical-waveguide properties of the irradiation region have been studied. The significant correspondence (symmetrical inversion) between the iWKB-reconstructed refractive-index profile and SRIM-simulated dpa profile further proves the effects (irradiation-damage production and refractive-index decrease) of nuclear energy loss during the swift-ion penetration process in LaAlO3 crystal. In the case of the rather-thick damage layer produced by swift-ion irradiation, obtaining a damage profile will be constrained owing to the analysis-depth limitation of the characterization techniques (RBS/channeling), and our analysis process (optical guided-mode measurement and

  13. Magnetic properties in kagomé lattice with RKKY interaction: A Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63, 46000 Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-03-01

    The magnetic properties of the kagomé lattice have been studied with Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange interactions in a spin-7/2 Ising model using Monte Carlo simulations. The RKKY interaction between the two magnetic layers is considered for different distances. The magnetizations and magnetic susceptibilities of this lattice are given for different triquadratic interactions around each triangular face. The critical temperature is obtained for a fixed size. The magnetic hysteresis cycle of kagomé lattice with RKKY interactions is obtained for different temperatures and for different crystal field with a fixed size of nonmagnetic layer. - Highlights: • We study the RKKY interaction in kagomé lattice using the Monte Carlo simulations. • The transition temperature is obtained for kagomé lattice with RKKY interaction. • The coercive field is obtained for kagomé lattice with RKKY interaction.

  14. Dynamic hysteresis behaviors in the kinetic Ising system on triangular lattice

    Science.gov (United States)

    Kantar, Ersin; Ertaş, Mehmet

    2018-04-01

    We studied dynamic hysteresis behaviors of the spin-1 Blume-Capel (BC) model in a triangular lattice by means of the effective-field theory (EFT) with correlations and using Glauber-type stochastic dynamics. The effects of the exchange interaction (J), crystal field (D), temperature (T) and oscillating frequency (w) on the hysteresis behaviors of the BC model in a triangular lattice are investigated in detail. Results are compared with some other dynamic studies and quantitatively good agreement is found.

  15. Atomistic modelling study of lanthanide incorporation in the crystal lattice of an apatite

    International Nuclear Information System (INIS)

    Louis-Achille, V.

    1999-01-01

    Studies of natural and synthetic apatites allow to propose such crystals as matrix for nuclear waste storage. The neodymium substituted britholite, Ca 9 Nd(PO 4 ) 5 (SiO 4 )F 2 . is a model for the trivalent actinide storage Neodymium can be substituted in two types of sites. The aim of this thesis is to compare the chemical nature of this two sites in fluoro-apatite Ca 9 (PO 4 ) 6 F 2 and then in britholite, using ab initio atomistic modeling. Two approaches are used: one considers the infinite crystals and the second considers clusters. The calculations of the electronic structure for both were performed using Kohn and Sham density functional theory in the local approximation. For solids, pseudopotentials were used, and wave functions are expanded in plane waves. For clusters, a frozen core approximation was used, and the wave functions are expanded in a linear combination of Slater type atomic orbitals. The pseudopotential is semi-relativistic for neodymium, and the Hamiltonian is scalar relativistic for the clusters. The validation of the solid approach is performed using two test cases: YPO 4 and ScPO 4 . Two numerical tools were developed to compute electronic deformation density map, and calculate partial density of stases. A full optimisation of the lattice parameters with a relaxation of the atomic coordinates leads to correct structural and thermodynamic properties for the fluoro-apatite, compared to experience. The electronic deformation density maps do not show any significant differences. between the two calcium sites. but Mulliken analysis on the solid and on the clusters point out the more ionic behavior of the calcium in site 2. A neodymium substituted britholite is then studied. Neodymium location only induces local modifications in; the crystalline structure and few changes in the formation enthalpy. The electronic study points out an increase of the covalent character the bonding involving neodymium compared with the one related to calcium

  16. Indexing in single-crystal diffractometry with an obstinate list of reflections

    International Nuclear Information System (INIS)

    Duisenberg, A.J.M.

    1992-01-01

    An indexing method for single-crystal diffractometry is described which is applicable to especially difficult cases such as twin lattices, incommensurate structures, fragmented crystals, long axes and unreliable data. Finding the reciprocal lattice from a cloud of reciprocal-lattice points (reflections) is reduced to finding elementary periods in one-dimensional rows, obtained by projecting all observed points onto the normal to the plane formed by any three of these points. Row periodicity and offending reflections are easily recognized. Each row, by its direction and (reciprocal) spacing, defines one direct axis vector, based upon all cooperating observations. From the direct vectors so obtained a primitive direct cell is chosen and refined against the fitting reflections. The result is one main lattice, or a main lattice and a set of alien reflections. The method operates semi-automatically in the program DIRAX and has been tested, without failure, on hundreds of CAD4 reflection files, among which there were many auto-indexing-resistant lists. (orig.)

  17. Study on the local stress induced dislocations on (1 bar 1 bar 1 bar) Te face of CdTe-based crystals

    Science.gov (United States)

    Fu, Xu; Xu, Yadong; Xu, Lingyan; Gu, Yaxu; Jia, Ningbo; Jie, Wanqi

    2017-11-01

    The rosette-like dislocation clusters around Te inclusions in as-grown CdZnTe/CdTe crystals and those introduced by the micro-indentation on CdZnTe/CdTe surface are studied experimentally. The extended dislocation patterns are formed around Te inclusions in both CdZnTe and CdTe crystals, owing to the build-in stress. Two mutually orthogonal tetrahedrons are observed in CdZnTe crystal. However, the ;double-arms; dislocation rosette pattern extended along 〈1 1 0〉 direction is observed in CdTe crystal. The Peierls kink pair mechanism and the Hirsch effects are used to explain the discrepancy of these two different rosette patterns. Similar dislocation rosette patterns are observed on indentation surface of CdZnTe crystal. The dislocation rosette patterns are found to be independent of the indenter orientation, but completely determined by the crystallographic properties of zinc-blende structure of the crystal. Furthermore, the Te(g) and Cd(g) dislocation arms are found to be mixed and bended with each other in CdTe crystal under high indentation stress, making it different from that generated around Te inclusions. A model concerning the comprehensive impact of stress field and electronic polarities dislocations is proposed to clarify the dislocation bending phenomenon.

  18. Monte Carlo simulation of continuous-space crystal growth

    International Nuclear Information System (INIS)

    Dodson, B.W.; Taylor, P.A.

    1986-01-01

    We describe a method, based on Monte Carlo techniques, of simulating the atomic growth of crystals without the discrete lattice space assumed by conventional Monte Carlo growth simulations. Since no lattice space is assumed, problems involving epitaxial growth, heteroepitaxy, phonon-driven mechanisms, surface reconstruction, and many other phenomena incompatible with the lattice-space approximation can be studied. Also, use of the Monte Carlo method circumvents to some extent the extreme limitations on simulated timescale inherent in crystal-growth techniques which might be proposed using molecular dynamics. The implementation of the new method is illustrated by studying the growth of strained-layer superlattice (SLS) interfaces in two-dimensional Lennard-Jones atomic systems. Despite the extreme simplicity of such systems, the qualitative features of SLS growth seen here are similar to those observed experimentally in real semiconductor systems

  19. Adjustment of a two-block X-ray interferometer and absolute measurement of lattice spacing

    International Nuclear Information System (INIS)

    Nakayama, Kan

    1994-01-01

    X-ray interferometer was invented in 1965 by Bonse and Hart, and it uses the lattice surface of a silicon single crystal as a three-dimensional diffraction lattice. It divides X-ray coherently, changes direction, combines and causes interference. It made for the first time the interference effect of X-ray into the usable form in macroscopic world. As an example of the application of X-ray interferometers to basic science, there is the absolute measurement of lattice spacing. This is the method of simultaneously measuring the same displacement with an X-ray interferometer and a light wave interferometer, and doing the absolute measurement of the lattice spacing of crystals with light wavelength. Avogadro constant is the constant that becomes the foundation of chemistry, and its relation with other basic constants is shown. The principle of X-ray interferometers is explained. As the elementary technologies for the absolute measurement of lattice spacing, the adjustment of X-ray interferometers, parallel movement table and angular adjustment table, light wave interferometer and the prevention of vibration and temperature change are described. The example of the measurement is reported. In order to improve the accuracy, the improvement of the equipment and the measurement in vacuum are prepared at present. (K.I.)

  20. Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of universal stress protein F (YnaF) from Salmonella typhimurium

    Energy Technology Data Exchange (ETDEWEB)

    Sagurthi, Someswar Rao; Panigrahi, Rashmi Rekha; Gowda, Giri [Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012 (India); Savithri, H. S. [Department of Biochemistry, Indian Institute of Science, Bangalore 560012 (India); Murthy, M. R. N., E-mail: mrn@mbu.iisc.ernet.in [Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012 (India)

    2007-11-01

    The cloning, purification and crystallization of YnaF from S. typhimurium are reported along with preliminary X-ray crystallographic studies. The universal stress protein UspF (YnaF) is a small cytoplasmic bacterial protein. The expression of stress proteins is enhanced when cells are exposed to heat shock, nutrition starvation and certain other stress-inducing agents. YnaF promotes cell survival during prolonged exposure to stress and may activate a general mechanism for stress endurance. This manuscript reports preliminary crystallographic studies on YnaF from Salmonella typhimurium. The gene coding for YnaF was cloned and overexpressed and the protein was purified by Ni–NTA affinity chromatography. Purified YnaF was crystallized using vapour-diffusion and microbatch methods. The crystals belong to space group P2{sub 1}, with unit-cell parameters a = 37.51, b = 77.18, c = 56.34 Å, β = 101.8°. A data set was collected to 2.5 Å resolution with 94.6% completeness using an image-plate detector system mounted on a rotating-anode X-ray generator. Attempts to determine the structure are in progress.

  1. Crystals in the LHC

    CERN Multimedia

    Antonella Del Rosso

    2012-01-01

    Bent crystals can be used to deflect charged particle beams. Their use in high-energy accelerators has been investigated for almost 40 years. Recently, a bent crystal was irradiated for the first time in the HiRadMat facility with an extreme particle flux, which crystals would have to withstand in the LHC. The results were very encouraging and confirmed that this technology could play a major role in increasing the beam collimation performance in future upgrades of the machine.   UA9 bent crystal tested with a laser. Charged particles interacting with a bent crystal can be trapped in channelling states and deflected by the atomic planes of the crystal lattice (see box). The use of bent crystals for beam manipulation in particle accelerators is a concept that has been well-assessed. Over the last three decades, a large number of experimental findings have contributed to furthering our knowledge and improving our ability to control crystal-particle interactions. In modern hadron colliders, su...

  2. Effect of a Nitrogen Impurity on the Fundamental Raman Band of Diamond Single Crystals

    Science.gov (United States)

    Gusakov, G. A.; Samtsov, M. P.; Voropay, E. S.

    2018-05-01

    The effect of nitrogen defects in natural and synthetic diamond single crystals on the position and half-width of the fundamental Raman band was investigated. Samples containing the main types of nitrogen lattice defects at impurity contents of 1-1500 ppm were studied. The parameters of the Stokes and anti-Stokes components in Raman spectra of crystals situated in a cell with distilled water to minimize the influence of heating by the exciting laser radiation were analyzed to determine the effect of a nitrogen impurity in the diamond crystal lattice. It was shown that an increase of impurity atoms in the crystals in the studied concentration range resulted in broadening of the Raman band from 1.61 to 2.85 cm-1 and shifting of the maximum to lower frequency from 1332.65 to 1332.3 cm-1. The observed effect was directly proportional to the impurity concentration and depended on the form of the impurity incorporated into the diamond lattice. It was found that the changes in the position and half-width of the fundamental Raman band for diamond were consistent with the magnitude of crystal lattice distortions due to the presence of impurity defects and obeyed the Gruneisen law.

  3. A stress-induced phase transition model for semi-crystallize shape memory polymer

    Science.gov (United States)

    Guo, Xiaogang; Zhou, Bo; Liu, Liwu; Liu, Yanju; Leng, Jinsong

    2014-03-01

    The developments of constitutive models for shape memory polymer (SMP) have been motivated by its increasing applications. During cooling or heating process, the phase transition which is a continuous time-dependent process happens in semi-crystallize SMP and the various individual phases form at different temperature and in different configuration. Then, the transformation between these phases occurred and shape memory effect will emerge. In addition, stress applied on SMP is an important factor for crystal melting during phase transition. In this theory, an ideal phase transition model considering stress or pre-strain is the key to describe the behaviors of shape memory effect. So a normal distributed model was established in this research to characterize the volume fraction of each phase in SMP during phase transition. Generally, the experiment results are partly backward (in heating process) or forward (in cooling process) compared with the ideal situation considering delay effect during phase transition. So, a correction on the normal distributed model is needed. Furthermore, a nonlinear relationship between stress and phase transition temperature Tg is also taken into account for establishing an accurately normal distributed phase transition model. Finally, the constitutive model which taking the stress as an influence factor on phase transition was also established. Compared with the other expressions, this new-type model possesses less parameter and is more accurate. For the sake of verifying the rationality and accuracy of new phase transition and constitutive model, the comparisons between the simulated and experimental results were carried out.

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

    Science.gov (United States)

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

    2018-02-01

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

  5. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

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

  6. Restoring the lattice of Si-based atom probe reconstructions for enhanced information on dopant positioning.

    Science.gov (United States)

    Breen, Andrew J; Moody, Michael P; Ceguerra, Anna V; Gault, Baptiste; Araullo-Peters, Vicente J; Ringer, Simon P

    2015-12-01

    The following manuscript presents a novel approach for creating lattice based models of Sb-doped Si directly from atom probe reconstructions for the purposes of improving information on dopant positioning and directly informing quantum mechanics based materials modeling approaches. Sophisticated crystallographic analysis techniques are used to detect latent crystal structure within the atom probe reconstructions with unprecedented accuracy. A distortion correction algorithm is then developed to precisely calibrate the detected crystal structure to the theoretically known diamond cubic lattice. The reconstructed atoms are then positioned on their most likely lattice positions. Simulations are then used to determine the accuracy of such an approach and show that improvements to short-range order measurements are possible for noise levels and detector efficiencies comparable with experimentally collected atom probe data. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Crystal structure and anisotropic magnetic properties of new ferromagnetic Kondo lattice compound Ce(Cu,Al,Si){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Maurya, A.; Thamizhavel, A.; Dhar, S.K. [Department of Condensed Matter Physics & Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005 (India); Provino, A.; Pani, M.; Costa, G.A. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)

    2017-03-15

    Single crystals of the new compound CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} have been grown by high-temperature solution growth method using a eutectic Al-Si mixture as flux. This compound is derived from the binary CeSi{sub 2} (tetragonal α-ThSi{sub 2}-type, Pearson symbol tI12, space group I4{sub 1}/amd) obtained by partial substitution of Si by Cu and Al atoms but showing full occupation of the Si crystal site (8e). While CeSi{sub 2} is a well-known valence-fluctuating paramagnetic compound, the CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} phase orders ferromagnetically at T{sub C}=9.3 K. At low temperatures the easy-axis of magnetization is along the a-axis, which re-orients itself along the c-axis above 30 K. The presence of hysteresis in the magnetization curve, negative temperature coefficient of resistivity at high temperatures, reduced jump in the heat capacity and a relatively lower entropy released up to the ordering temperature, and enhanced Sommerfeld coefficient (≈100 mJ/mol K{sup 2}) show that CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} is a Kondo lattice ferromagnetic, moderate heavy fermion compound. Analysis of the high temperature heat capacity data in the paramagnetic region lets us infer that the crystal electric field split doublet levels are located at 178 and 357 K, respectively, and Kondo temperature (8.4 K) is of the order of T{sub C} in CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58}.

  8. Calculation of dynamic and electronic properties of perfect and defect crystals by semiempirical quantum mechanical methods

    International Nuclear Information System (INIS)

    Zunger, A.

    1975-07-01

    Semiempirical all-valence-electron LCAO methods, that were previously used to study the electronic structure of molecules are applied to three problems in solid state physics: the electronic band structure of covalent crystals, point defect problems in solids and lattice dynamical study of molecular crystals. Calculation methods for the electronic band structure of regular solids are introduced and problems regarding the computation of the density matrix in solids are discussed. Three models for treating the electronic eigenvalue problem in the solid, within the proposed calculation schemes, are discussed and the proposed models and calculation schemes are applied to the calculation of the electronic structure of several solids belonging to different crystal types. The calculation models also describe electronic properties of deep defects in covalent insulating crystals. The possible usefulness of the semieipirical LCAO methods in determining the first order intermolecular interaction potential in solids and an improved model for treating the lattice dynamics and related thermodynamical properties of molecular solids are presented. The improved lattice dynamical is used to compute phonon dispersion curves, phonon density of states, stable unit cell structure, lattice heat capacity and thermal crystal parameters, in α and γ-N 2 crystals, using the N 2 -N 2 intermolecular interaction potential that has been computed from the semiempirical LCAO methods. (B.G.)

  9. Coupled stress-strain and electrical resistivity measurements on copper based shape memory single crystals

    Directory of Open Access Journals (Sweden)

    Gonzalez Cezar Henrique

    2004-01-01

    Full Text Available Recently, electrical resistivity (ER measurements have been done during some thermomechanical tests in copper based shape memory alloys (SMA's. In this work, single crystals of Cu-based SMA's have been studied at different temperatures to analyse the relationship between stress (s and ER changes as a function of the strain (e. A good consistency between ER change values is observed in different experiments: thermal martensitic transformation, stress induced martensitic transformation and stress induced reorientation of martensite variants. During stress induced martensitic transformation (superelastic behaviour and stress induced reorientation of martensite variants, a linear relationship is obtained between ER and strain as well as the absence of hys teresis. In conclusion, the present results show a direct evidence of martensite electrical resistivity anisotropy.

  10. The effect of correlated and point defects on the vortex lattice melting transition in single crystal YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, W.K.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Fendrich, J. Giapintzakis, J.

    1993-08-01

    The vortex melting transition T m in several untwinned and twinned crystals measured resistively in fields up to 8 Tesla. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first order phase transition. The anisotropy of twin boundary pinning and its reduction of the ''kink'' in ρ(T) associated with the first order melting transition is discussed in samples with very dilute twin boundaries. We also report on direct suppression of melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects

  11. High-resolution lattice-spacing comparator using SR

    International Nuclear Information System (INIS)

    Zhang, Xiaowei; Sugiyama, Hiroshi; Ando, Masami

    2004-01-01

    A novel lattice spacing measurement using a high-resolution self-reference d-spacing comparator has been described. Self selection of monochromatic synchrotron x-rays by a monolithic double channel-cut-crystal monochromator (MDCM) comprising silicon 2,6,4 and 6,2,4 reflections may lead to a stable, highly-collimated and narrow bandwidth beam. Also if utilizing 2,6,4 and 6,2,4 Bragg planes of a silicon sample, the interval between two associated Bragg peaks for the X-rays with wavelength of 0.13438 nm can be extremely small, so that the diffraction angle can be determined with high precision and the traveling time from one peak to the other can be marvelously reduced by the order of at least three compared to the established classical methods such as the Bond method. Thus this so-called self-reference comparator method can dramatically save measurement time and provide an absolute measurement on the basis of the x-ray wavelength of the MDCM, therefore a lattice spacing measurement with uncertainty of 10 -8 , for the 1mm 2 area on a silicon crystal within measurement time of a few ten seconds and has been achieved. (author)

  12. Morphology Dependent Flow Stress in Nickel-Based Superalloys in the Multi-Scale Crystal Plasticity Framework

    Directory of Open Access Journals (Sweden)

    Shahriyar Keshavarz

    2017-11-01

    Full Text Available This paper develops a framework to obtain the flow stress of nickel-based superalloys as a function of γ-γ’ morphology. The yield strength is a major factor in the design of these alloys. This work provides additional effects of γ’ morphology in the design scope that has been adopted for the model developed by authors. In general, the two-phase γ-γ’ morphology in nickel-based superalloys can be divided into three variables including γ’ shape, γ’ volume fraction and γ’ size in the sub-grain microstructure. In order to obtain the flow stress, non-Schmid crystal plasticity constitutive models at two length scales are employed and bridged through a homogenized multi-scale framework. The multi-scale framework includes two sub-grain and homogenized grain scales. For the sub-grain scale, a size-dependent, dislocation-density-based finite element model (FEM of the representative volume element (RVE with explicit depiction of the γ-γ’ morphology is developed as a building block for the homogenization. For the next scale, an activation-energy-based crystal plasticity model is developed for the homogenized single crystal of Ni-based superalloys. The constitutive models address the thermo-mechanical behavior of nickel-based superalloys for a large temperature range and include orientation dependencies and tension-compression asymmetry. This homogenized model is used to obtain the morphology dependence on the flow stress in nickel-based superalloys and can significantly expedite crystal plasticity FE simulations in polycrystalline microstructures, as well as higher scale FE models in order to cast and design superalloys.

  13. Stress-relaxation tests in the work-hardening regime of tungsten single crystals below 300 K

    International Nuclear Information System (INIS)

    Brunner, D.

    2008-01-01

    The influence of work hardening on the results of stress-relaxation tests was studied for highly pure tungsten single crystals isothermally deformed at four temperatures of 274, 241, 131, and 78 K. A method accounting for strong work hardening on the determination of the strain-rate sensitivity from stress-relaxation tests is introduced by establishing special diagrams of SR tests denoted as YX diagrams

  14. Representations of the Virasoro algebra from lattice models

    International Nuclear Information System (INIS)

    Koo, W.M.; Saleur, H.

    1994-01-01

    We investigate in detail how the Virasoro algebra appears in the scaling limit of the simplest lattice models of XXZ or RSOS type. Our approach is straightforward but to our knowledge had never been tried so far. We simply formulate a conjecture for the lattice stress-energy tensor motivated by the exact derivation of lattice global Ward identities. We then check that the proper algebraic relations are obeyed in the scaling limit. The latter is under reasonable control thanks to the Bethe-ansatz solution. The results, which are mostly numerical for technical reasons, are remarkably precise. They are also corroborated by exact pieces of information from various sources, in particular Temperley-Lieb algebra representation theory. Most features of the Virasoro algebra (like central term, null vectors, metric properties, etc.) can thus be observed using the lattice models. This seems of general interest for lattice field theory, and also more specifically for finding relations between conformal invariance and lattice integrability, since a basis for the irreducible representations of the Virasoro algebra should now follow (at least in principle) from Bethe-ansatz computations. ((orig.))

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-15

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

  16. Investigation of 2D photonic crystal structure based channel drop filter using quad shaped photonic crystal ring resonator for CWDM system

    Energy Technology Data Exchange (ETDEWEB)

    Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com; Dusad, Lalit Kumar [Government Engineering College Ajmer, Rajasthan (India); Rajasthan Technical University, Kota, Rajasthan (India)

    2016-05-06

    In this paper, the design & performance of two dimensional (2-D) photonic crystal structure based channel drop filter is investigated using quad shaped photonic crystal ring resonator. In this paper, Photonic Crystal (PhC) based on square lattice periodic arrays of Gallium Indium Phosphide (GaInP) rods in air structure have been investigated using Finite Difference Time Domain (FDTD) method and photonic band gap is being calculated using Plane Wave Expansion (PWE) method. The PhC designs have been optimized for telecommunication wavelength λ= 1571 nm by varying the rods lattice constant. The number of rods in Z and X directions is 21 and 20, with lattice constant 0.540 nm it illustrates that the arrangement of Gallium Indium Phosphide (GaInP) rods in the structure which gives the overall size of the device around 11.4 µm × 10.8 µm. The designed filter gives good dropping efficiency using 3.298, refractive index. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.

  17. Inverse gold photonic crystals and conjugated polymer coated opals for functional materials

    Energy Technology Data Exchange (ETDEWEB)

    Landon, P.B.; Gutierrez, Jose; Ferraris, John P.; Martinez, I.L.; Giridharagopal, Rajiv; Wu, Y.-C.; Lee, Sergey; Parikh, Kunjal; Gillespie, Jessica; Ussery, Geoffrey; Karimi, Behzad; Baughman, Ray; Zakhidov, Anvar; Glosser, R

    2003-10-01

    Inverse gold photonic crystals templated from synthetic opals with a face centered cubic (FCC) crystal lattice were constructed by heat converting gold chloride to metallic gold. Tetrahedral formations constructed of alternating large and small octahedrons oriented in the zinc sulfide structure were created by controlling the infiltration of gold chloride. Silica spheres were coated with polyanilinesulfonic acid, polypyrrole, poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) and 5 nm colloidal gold. Ordinary yeast cells were coated with polyanilinesulfonic acid, polypyrrole and 5 nm colloidal gold. Spheres coated with MEH-PPV were dispersed in H{sub 2}O and coated with polyelectrolytes which recharged and sterically stabilized the colloidal surfaces. The recharged spheres self-assembled by sedimentation with a FCC crystalline lattice possessing 500 {mu}m wide and 1 mm long crystallites. Silica spheres with diameters as large as 1500 {mu}m were self-assembled along the [1 0 0] direction of the FCC crystal lattice. Opals infiltrated with gold and opals constructed from polymer coated spheres were co-infiltrated with polypropylene yielding inverse polypropylene composite photonic crystals.

  18. Simultaneous effect of crystal lattice and non magnetic substitution on magnetic properties of barium hexaferrite

    Science.gov (United States)

    Kumar, Sunil; Supriya, Sweety; Pradhan, Lagen Kumar; Pandey, Rabichandra; Kar, Manoranjan

    2018-05-01

    The aluminium doped barium hexaferrite BaFe12-xAlxO19 with x =0.0, 1.0, 2.0, 4.0 and 6.0 have been synthesized by the sol-gel method to modify the magnetic properties for technological applications. The crystal structure and phase purity of all the samples have been explored by employing the X-ray diffraction (XRD) technique. It confirms that the sample is nanocrystalline, hexagonal symmetry and all the intense peaks could be indexed to the P63/mmc space group. The obtained lattice parameters from the XRD analysis decrease with the increase in Al3+ content in the samples. The microstructural morphology and particle sizes of all samples were studied by using the Field Emission Scanning Electron Microscopy (FESEM-Hitachi-S4800) technique. The magnetic hysteresis (M-H) loops measurement has been carried out at room temperature by employing the vibrating sample magnetometer (VSM) over a field range of +20 kOe to -20 kOe. The magnetic hysteresis (M-H) loops revealed the ferromagnetic (hard magnetic materials) nature of the samples and, analyzed by using the Law of Approach to Saturation.

  19. On the observation of a huge lattice contraction and crystal habit modifications in LiMn2O4 prepared by a fuel assisted solution combustion

    International Nuclear Information System (INIS)

    Ragavendran, K.; Sherwood, D.; Vasudevan, D.; Emmanuel, Bosco

    2009-01-01

    Two batches of poly-crystalline lithium manganate were prepared by a fuel assisted solution combustion method. LiMn 2 O 4 (S) was prepared using starch as the fuel and LiMn 2 O 4 (P) was prepared using poly vinyl alcohol (PVA) as the fuel. XRD studies indicated a significant and consistent shift in the 2θ values of all the hkl peaks to higher values in LiMn 2 O 4 (P) compared to LiMn 2 O 4 (S) indicating a lattice contraction in the former. TG/DTA studies indicated a higher formation temperature (∼25 deg. C higher) for LiMn 2 O 4 (P). The higher formation temperature most likely promotes the oxidation of some Mn 3+ to Mn 4+ with a lower ionic radius causing a lattice contraction. This hypothesis is confirmed through XPS studies which indicated the presence of a higher fraction of Mn 4+ in LiMn 2 O 4 (P) than that present in LiMn 2 O 4 (S). A crystal shape algorithm was used to generate the crystal habits of lithium manganate from their XRD data leading to an understanding on the exposed hkl planes in these materials. From the atomic arrangement on the exposed hkl planes it is predicted that LiMn 2 O 4 (P) would be less prone to manganese dissolution and hence would possess a higher cycle life when compared to LiMn 2 O 4 (S).

  20. On the observation of a huge lattice contraction and crystal habit modifications in LiMn 2O 4 prepared by a fuel assisted solution combustion

    Science.gov (United States)

    Ragavendran, K.; Sherwood, D.; Vasudevan, D.; Emmanuel, Bosco

    2009-08-01

    Two batches of poly-crystalline lithium manganate were prepared by a fuel assisted solution combustion method. LiMn 2O 4(S) was prepared using starch as the fuel and LiMn 2O 4(P) was prepared using poly vinyl alcohol (PVA) as the fuel. XRD studies indicated a significant and consistent shift in the 2 θ values of all the hkl peaks to higher values in LiMn 2O 4(P) compared to LiMn 2O 4(S) indicating a lattice contraction in the former. TG/DTA studies indicated a higher formation temperature (∼25 °C higher) for LiMn 2O 4(P). The higher formation temperature most likely promotes the oxidation of some Mn 3+ to Mn 4+ with a lower ionic radius causing a lattice contraction. This hypothesis is confirmed through XPS studies which indicated the presence of a higher fraction of Mn 4+ in LiMn 2O 4(P) than that present in LiMn 2O 4(S). A crystal shape algorithm was used to generate the crystal habits of lithium manganate from their XRD data leading to an understanding on the exposed hkl planes in these materials. From the atomic arrangement on the exposed hkl planes it is predicted that LiMn 2O 4(P) would be less prone to manganese dissolution and hence would possess a higher cycle life when compared to LiMn 2O 4(S).

  1. Performance enhancement in p-channel charge-trapping flash memory devices with Si/Ge super-lattice channel and band-to-band tunneling induced hot-electron injection

    International Nuclear Information System (INIS)

    Liu, Li-Jung; Chang-Liao, Kuei-Shu; Jian, Yi-Chuen; Wang, Tien-Ko; Tsai, Ming-Jinn

    2013-01-01

    P-channel charge-trapping flash memory devices with Si, SiGe, and Si/Ge super-lattice channel are investigated in this work. A Si/Ge super-lattice structure with extremely low roughness and good crystal structure is obtained by precisely controlling the epitaxy thickness of Ge layer. Both programming and erasing (P/E) speeds are significantly improved by employing this Si/Ge super-lattice channel. Moreover, satisfactory retention and excellent endurance characteristics up to 10 6 P/E cycles with 3.8 V memory window show that the degradation on reliability properties is negligible when super-lattice channel is introduced. - Highlights: ► A super-lattice structure is proposed to introduce more Ge content into channel. ► Super-lattice structure possesses low roughness and good crystal structure. ► P-channel flash devices with Si, SiGe, and super-lattice channel are investigated. ► Programming/erasing speeds are significantly improved. ► Reliability properties can be kept for device with super-lattice channel

  2. Measurement of lattice parameters of single crystals and thin layers

    Czech Academy of Sciences Publication Activity Database

    Drahokoupil, Jan; Veřtát, P.; Richterová, Kristina; Laufek, František

    2014-01-01

    Roč. 21, č. 2 (2014), s. 97-97 ISSN 1211-5894. [Struktura 2014 : kolokvium Krystalografické společnosti. 09.06.2014-12.06.2014, Kutná Hora] Institutional support: RVO:68378271 Keywords : XRD * lattice parameters Subject RIV: BM - Solid Matter Physics ; Magnetism http://www. xray .cz/ms/bul2014-2/wednesday1.pdf

  3. Method of producing buried porous silicon-geramanium layers in monocrystalline silicon lattices

    Science.gov (United States)

    Fathauer, Robert W. (Inventor); George, Thomas (Inventor); Jones, Eric W. (Inventor)

    1997-01-01

    Lattices of alternating layers of monocrystalline silicon and porous silicon-germanium have been produced. These single crystal lattices have been fabricated by epitaxial growth of Si and Si--Ge layers followed by patterning into mesa structures. The mesa structures are stain etched resulting in porosification of the Si--Ge layers with a minor amount of porosification of the monocrystalline Si layers. Thicker Si--Ge layers produced in a similar manner emitted visible light at room temperature.

  4. Symmetry of semi-reduced lattices.

    Science.gov (United States)

    Stróż, Kazimierz

    2015-05-01

    derivable via geometric information (Himes & Mighell, 1987; Le Page, 1982). It is illustrated that corresponding arithmetic and geometric holohedries share space distribution of symmetry elements. Moreover, completeness of the s.r.d. types reveals their combinatorial structure and simplifies the crystallographic description of structural phase transitions, especially those observed with the use of powder diffraction. The research proves that there are excellent theoretical and practical reasons for looking at crystal lattice symmetry from an entirely new and surprising point of view - the combinatorial set {\\bb V} of matrices, their semi-reduced lattice context and their geometric properties.

  5. Expression, crystallization and preliminary X-ray analysis of the periplasmic stress sensory protein RseB from Escherichia coli

    International Nuclear Information System (INIS)

    Wollmann, Petra; Zeth, Kornelius

    2006-01-01

    The periplasmic stress protein RseB from E. coli was cloned, expressed and crystallized. Crystallographic data are presented and structure solution using the multiple isomorphous replacement approach (MIR) is in progress. Sensing external stress in the bacterial periplasm and signal transduction to the cytoplasm are important functions of the CpxAR, Bae and σ E signalling pathways. In Escherichia coli, the σ E pathway can be activated through degradation of the antisigma factor RseA by DegS and YaeL. The periplasmic protein RseB plays an important role in this pathway by exerting a direct or indirect negative effect on YaeL cleavage efficiency. RseB from E. coli, missing the periplasmic signal sequence (RseB ΔN ), was cloned, expressed, purified and crystallized. Crystals were obtained in two different forms belonging to space group P42 1 2 (form I) and C222 1 (form II) and diffracted to 2.8 and 2.4 Å resolution, respectively. In crystal form I two copies of the protein were located in the asymmetric unit according to heavy-atom analysis, while crystal form II contained three copies

  6. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre

    Science.gov (United States)

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-01-01

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom–atom and atom–wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom–atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the 1S0−3P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time. PMID:24934478

  7. A Tunable Eight-Wavelength Terahertz Modulator Based on Photonic Crystals

    Science.gov (United States)

    Ji, K.; Chen, H.; Zhou, W.; Zhuang, Y.; Wang, J.

    2017-11-01

    We propose a tunable eight-wavelength terahertz modulator based on a structure of triple triangular lattice photonic crystals by using photonic crystals in the terahertz regime. The triple triangular lattice was formed by nesting circular, square, and triangular dielectric cylinders. Three square point defects were introduced into the perfect photonic crystal to produce eight defect modes. GaAs was used as the point defects to realize tunability. We used a structure with a reflecting barrier to achieve modulation at high transmission rate. The insertion loss and extinction ratio were 0.122 and 38.54 dB, respectively. The modulation rate was 0.788 dB. The performance of the eightwavelength terahertz modulator showed great potential for use in future terahertz communication systems.

  8. Effect of thermal stress on the performance of HgCdTe/Si diodes and FPAs

    International Nuclear Information System (INIS)

    Zhang, Shan; Hu, Xiao-Ning

    2012-01-01

    As a typical hetero-epitaxial material, the HgCdTe film which directly grows on the Si substrate possesses great residual stress for the large lattice and thermal expansion mismatch. Thermal stress caused by the thermal expansion mismatch dominates the stress mechanism after growth and seriously affects the device performance. In this paper, the performance of the HgCdTe/Si material, diodes and focal plane arrays under different thermal stress condition was studied. The experimental results indicate that the performance regularly changes with the thermal stress and all the results can be duplicated and recoverable. By analyzing the changes of the energy band under different stress conditions, it was found that the stress in the HgCdTe film impacts the film's characteristics. The HgCdTe film with tensile stress exhibits higher electron mobility, while with the compressive stress, the film exhibits higher hole mobility than that of the bulk HgCdTe crystal. Finally, the theoretical analysis can explain the experimental results well. (paper)

  9. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy; Analise do tamanho do cristalito e microdeformacao da rede cristalina do carbeto de tugstenio moidos em moinho de alta energia

    Energy Technology Data Exchange (ETDEWEB)

    Silva, F.T. da; Nunes, M.A.M. [Universidade Federal do Rio Grande do Norte (PPGCEM/UFRN), Natal (Brazil). Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais; Oliveira, R.M.V. de; Silva, G.G. da [Instituto Federal do Rio Grande do Norte (IFRN), Natal (Brazil); Souza, C.P. de; Gomes, U.U. [Universidade Federal do Rio Grande do Norte (UFRN), Natal (Brazil)

    2010-07-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  10. Epitaxial Ge-crystal arrays for X-ray detection

    International Nuclear Information System (INIS)

    Kreiliger, T; Falub, C V; Müller, E; Känel, H von; Isa, F; Isella, G; Chrastina, D; Bergamaschini, R; Marzegalli, A; Miglio, L; Kaufmann, R; Niedermann, P; Neels, A; Dommann, A; Meduňa, M

    2014-01-01

    Monolithic integration of an X-ray absorber layer on a Si CMOS chip might be a potentially attractive way to improve detector performance at acceptable costs. In practice this requires, however, the epitaxial growth of highly mismatched layers on a Si-substrate, both in terms of lattice parameters and thermal expansion coefficients. The generation of extended crystal defects, wafer bowing and layer cracking have so far made it impossible to put the simple concept into practice. Here we present a way in which the difficulties of fabricating very thick, defect-free epitaxial layers may be overcome. It consists of an array of densely packed, three-dimensional Ge-crystals on a patterned Si(001) substrate. The finite gap between neighboring micron-sized crystals prevents layer cracking and substrate bowing, while extended defects are driven to the crystal sidewalls. We show that the Ge-crystals are indeed defect-free, despite the lattice misfit of 4.2%. The electrical characteristics of individual Ge/Si heterojunction diodes are obtained from in-situ measurements inside a scanning electron microscope. The fabrication of monolithically integrated detectors is shown to be compatible with Si-CMOS processing

  11. In Situ Observation of Antisite Defect Formation during Crystal Growth

    International Nuclear Information System (INIS)

    Kramer, M. J.; Napolitano, R. E.; Mendelev, M. I.

    2010-01-01

    In situ x-ray diffraction (XRD) coupled with molecular dynamics (MD) simulations have been used to quantify antisite defect trapping during crystallization. Rietveld refinement of the XRD data revealed a marked lattice distortion which involves an a axis expansion and a c axis contraction of the stable C11b phase. The observed lattice response is proportional in magnitude to the growth rate, suggesting that the behavior is associated with the kinetic trapping of lattice defects. MD simulations demonstrate that this lattice response is due to incorporation of 1% to 2% antisite defects during growth.

  12. Lattice effects in the light actinides

    International Nuclear Information System (INIS)

    Lawson, A.C.; Cort, B.; Roberts, J.A.; Bennett, B.I.; Brun, T.O.; Dreele, R.B. von; Richardson, J.W. Jr.

    1998-01-01

    The light actinides show a variety of lattice effects that do not normally appear in other regions of the periodic table. The article will cover the crystal structures of the light actinides, their atomic volumes, their thermal expansion behavior, and their elastic behavior as reflected in recent thermal vibration measurements made by neutron diffraction. A discussion of the melting points will be given in terms of the thermal vibration measurements. Pressure effects will be only briefly indicated

  13. Structures and Dynamics of Two-Dimensional Dust Lattices with and without Coulomb Molecules in Plasmas

    International Nuclear Information System (INIS)

    Huang Feng; Wang Xue-Jin; Liu Yan-Hong; Ye Mao-Fu; Wang Long

    2010-01-01

    Structures and dynamics of two-dimensional dust lattices with and without Coulomb molecules in plasmas are investigated. The experimental results show that the lattices have the crystal-like hexagonal structures, i.e. most particles have six nearest-neighboring particles. However, the lattice points can be occupied by the individual particles or by a pair of particles called Coulomb molecules. The pair correlation function is used to compare the structures between the lattices with or without the Coulomb molecules. In the experiments, the Coulomb molecules can also decompose and recombine with another individual particle to form a new molecule. (physics of gases, plasmas, and electric discharges)

  14. Determination of stress distribution in III-V single crystal layers for heterogeneous integration applications

    Energy Technology Data Exchange (ETDEWEB)

    Jackson, M.; Hayashi, S. [Dept. of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Goorsky, M.S.; Sandhu, R.; Chang-Chien, P.; Gutierrez-Aitken, A.; Tsai, R. [Northrop Grumman Space Technology, Redondo Beach, CA 90278 (United States); Noori, A.; Poust, B. [Dept. of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Northrop Grumman Space Technology, Redondo Beach, CA 90278 (United States)

    2007-08-15

    Double crystal X-ray diffraction imaging and a variable temperature stage are employed to determine the stress distribution in heterogeneous wafer bonded layers though the superposition of images produced at different rocking curve angles. The stress distribution in InP layers transferred to a silicon substrate at room temperature exhibits an anticlastic deformation, with different regions of the wafer experiencing different signs of curvature. Measurements at elevated temperatures ({<=}125 C) reveals that differences in thermal expansion coefficients dominate the stress and that interfacial particulates introduce very high local stress gradients that increase with increased temperature. For thinned GaAs substrates (100 {mu}m) bonded using patterned metal interlayers to a separate GaAs substrate at {approx}200 C, residual stresses are produced at room temperature due to local stress points from metallization contacts and vias and the complex stress patterns can be observed using the diffraction imaging technique. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Coherent lattice vibrations in superconductors

    International Nuclear Information System (INIS)

    Kadin, Alan M.

    2008-01-01

    A recent analysis has shown that the pair wavefunction within the BCS theory may be represented in real-space as a spherical electronic orbital (on the scale of the coherence length ξ 0 ) coupled to a standing-wave lattice vibration with wavevector 2k F and a near-resonant phonon frequency. The present paper extends this picture to a coherent pattern of phonon standing-waves on the macroscopic scale, with electrons forming Bloch waves and an energy gap much like those in the classic band theory of crystals. These parallel planes form a diffractive waveguide permitting electron waves to traveling parallel to the planes, corresponding to lossless supercurrent. A similar picture may be extended to unconventional superconductors such as the cuprates, with an array of standing spin waves rather than phonons. Such coherent lattice vibrations should be universal indicators of the superconducting state, and should be observable below T c using X-ray and neutron diffraction techniques. Further implications of this picture are discussed

  16. Certain methods for improving the accuracy of lattice parameter determination in sloping scanning with the use of single-crystal spectrometer

    International Nuclear Information System (INIS)

    Pinegin, V.I.; Koz'ma, A.A.; Fuks, M.Ya.

    1985-01-01

    Errors are accounted for the sloping scanning that is a base of X-ray tenzometry and requires high accuracy of lattice parameter determination including a limp state parameter. A technique is suggested for elimination of systematic alignment errors due to deviation of the primary beam and eccentricity of an irradiated sample surface relative to the main axis of a goniometer. The technique allows to decrease a relative error in interplanar distance determination from 10 -4 to 10 -5 using the DRON-20 diffractometer. Analytical expressions are obtained for correction calculations. The technique can be used in sloping scanning of imperfect single- and polycrystals. Experimental test of the technique has been carried out with epitaxy single-crystal nickel films 500 to 2000 A thick with the use of copper radiation

  17. Structure of single-chain single crystals of isotactic polystyrene and their radiation resistance

    International Nuclear Information System (INIS)

    Bu Haishan; Cao Jie; Xu Shengyong; Zhang Ze

    1997-01-01

    The structure of the single-chain single crystals of isotactic polystyrene (i-PS) was investigated by electron diffraction (ED) and high resolution electron microscopy (HREM). The nano-scale single-chain single crystals were found to be very stable to electron irradiation. According to the unit cell of i-PS crystals, the reflection rings in ED pattern and the lattice fringes in HREM images could be indexed, but the lower-index diffractions were not found. It is proposed that the single-chain single crystals are very small, thus secondary electrons may be allowed to escape and radiation damage is highly reduced, and that there are less lower-index lattice planes in the single-chain single crystals to provide sufficient diffraction intensity for recording. HREM images can be achieved at room temperature in the case of single-chain single crystals because of its stability to electron irradiation, therefore, this might be a novel experimental approach to the study of crystal structure of macromolecules

  18. Physics of radiation effects in crystals

    CERN Document Server

    Johnson, RA

    1986-01-01

    ``Physics of Radiation Effects in Crystals'' is presented in two parts. The first part covers the general background and theory of radiation effects in crystals, including the theory describing the generation of crystal lattice defects by radiation, the kinetic approach to the study of the disposition of these defects and the effects of the diffusion of these defects on alloy compositions and phases. Specific problems of current interest are treated in the second part and include anisotropic dimensional changes in x-uranium, zirconium and graphite, acceleration of thermal creep in reactor ma

  19. Lattice thermal conductivity of YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Cohn, J.L.; Wolf, S.A.; Vanderah, T.A.; Selvamanickam, V.; Salama, K.

    1992-01-01

    We report a systematic study of the ab-plane thermal conductivity (K) on single crystal and liquid-phase processed (LPP) specimens of YBa 2 Cu 3 O 7-δ (δ≤0.16) in the temperature range 10 K ≤ T ≤ 300 K. From measurements of electrical conductivity on the same specimens and application of the Wiedemann-Franz law we estimate the relative contributions to the heat conduction from the carriers and the lattice. The normal-state phonon scattering mechanisms are quantified by calculations which employ the conventional theory of lattice heat conduction by longitudinal acoustic phonons. Differences in the magnitude and temperature dependence of K for the LPP and crystal specimens are accounted for by differences in the relative weight of phonon-defect, phonon-carrier, and phonon-phonon scattering. For all specimens phonon-defect scattering predominates throughout most of the temperature range. (orig.)

  20. Lattice damage assessment and optical waveguide properties in LaAlO3 single crystal irradiated with swift Si ions

    International Nuclear Information System (INIS)

    Liu, Y; Wang, T J; Liu, P; Wang, X L; Crespillo, M L; Huang, Q

    2017-01-01

    As one of the representative ABO 3 perovskite-structured oxides, lanthanum aluminate (LaAlO 3 ) crystal has emerged as one of the most valuable functional-materials, and has attracted plenty of fundamental research and promising applications in recent years. Electronic, magnetic, optical and other properties of LaAlO 3 strongly depend on its crystal structure, which could be strongly modified owing to the nuclear or electronic energy loss deposited in an ion irradiation environment and, therefore, significantly affecting the performance of LaAlO 3 -based devices. In this work, utilizing swift (tens of MeV) Si-ion irradiation, the damage behavior of LaAlO 3 crystal induced by nuclear or electronic energy loss has been studied in detail utilizing complementary characterization techniques. Differing from other perovskite-structured crystals in which the electronic energy loss could lead to the formation of an amorphous region based on the thermal spike mechanism, in this case, intense electronic energy loss in LaAlO 3 will not induce any obvious structural damage. The effects of ion irradiation on the mechanical properties, including hardness increase and elastic modulus decrease, have been confirmed. On the other hand, considering the potential applications of LaAlO 3 in the field of integrated optoelectronics, the optical-waveguide properties of the irradiation region have been studied. The significant correspondence (symmetrical inversion) between the iWKB-reconstructed refractive-index profile and SRIM-simulated dpa profile further proves the effects (irradiation-damage production and refractive-index decrease) of nuclear energy loss during the swift-ion penetration process in LaAlO 3 crystal. In the case of the rather-thick damage layer produced by swift-ion irradiation, obtaining a damage profile will be constrained owing to the analysis-depth limitation of the characterization techniques (RBS/channeling), and our analysis process (optical guided

  1. Lattice location of impurities in silicon Carbide

    CERN Document Server

    AUTHOR|(CDS)2085259; Correia Martins, João Guilherme

    The presence and behaviour of transition metals (TMs) in SiC has been a concern since the start of producing device-grade wafers of this wide band gap semiconductor. They are unintentionally introduced during silicon carbide (SiC) production, crystal growth and device manufacturing, which makes them difficult contaminants to avoid. Once in SiC they easily form deep levels, either when in the isolated form or when forming complexes with other defects. On the other hand, using intentional TM doping, it is possible to change the electrical, optical and magnetic properties of SiC. TMs such as chromium, manganese or iron have been considered as possible candidates for magnetic dopants in SiC, if located on silicon lattice sites. All these issues can be explored by investigating the lattice site of implanted TMs. This thesis addresses the lattice location and thermal stability of the implanted TM radioactive probes 56Mn, 59Fe, 65Ni and 111Ag in both cubic 3C- and hexagonal 6H SiC polytypes by means of emission cha...

  2. The effect of correlated and point defects on the vortex lattice melting transition in single-crystal YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, W.K.; Fendrich, J.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Giapintzakis, J.

    1994-01-01

    The vortex melting transition T m in several untwinned and twinned crystals is measured resistively in fields up to 8T. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first-order phase transition. The anisotropy of twin boundary pinning and its reduction of the 'kink' in ρ(T) associated with the first-order melting transition is discussed in samples with very dilute twin boundaries. We also report on the direct suppression of the the melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects. (orig.)

  3. Lattice site location of electrical dopant impurities in group-III nitrides

    CERN Document Server

    Amorim, Lígia; Temst, Kristiaan; Wahl, Ulrich

    Dopants are impurities introduced in semiconductors in small quantities to tailor the material characteristics, the effects of which depend on the exact site the dopant occupies in the crystal lattice. The lattice location of impurities is, thus, crucial for the overall understanding of the semiconductor characteristics. In general, several techniques can be used to investigate the lattice site of an impurity, the most accurate and dedicated being emission channeling. However, a characteristic of this technique is that it requires the implantation of radioactive probes, usually created and accelerated in a radioactive ion beam facility. In some cases, emission channeling might however be the only technique capable to investigate the lattice sites occupied by the impurity atoms, provided an appropriate isotope for this technique can be used. For instance, the use of other methods such as Rutherford backscattering spectrometry, perturbed angular correlations, Mössbauer spectroscopy and extended X-ray absorptio...

  4. Freeform Fabrication of Magnetophotonic Crystals with Diamond Lattices of Oxide and Metallic Glasses for Terahertz Wave Control by Micro Patterning Stereolithography and Low Temperature Sintering

    Directory of Open Access Journals (Sweden)

    Maasa Nakano

    2013-04-01

    Full Text Available Micrometer order magnetophotonic crystals with periodic arranged metallic glass and oxide glass composite materials were fabricated by stereolithographic method to reflect electromagnetic waves in terahertz frequency ranges through Bragg diffraction. In the fabrication process, the photo sensitive acrylic resin paste mixed with micrometer sized metallic glass of Fe72B14.4Si9.6Nb4 and oxide glass of B2O3·Bi2O3 particles was spread on a metal substrate, and cross sectional images of ultra violet ray were exposed. Through the layer by layer stacking, micro lattice structures with a diamond type periodic arrangement were successfully formed. The composite structures could be obtained through the dewaxing and sintering process with the lower temperature under the transition point of metallic glass. Transmission spectra of the terahertz waves through the magnetophotonic crystals were measured by using a terahertz time domain spectroscopy.

  5. Effects of material non-linearity on the residual stresses in a dendritic silicon crystal ribbon

    Science.gov (United States)

    Ray, Sujit K.; Utku, Senol

    1990-01-01

    Thermal stresses developed in a dendritic silicon crystal ribbon have been shown to cause plastic deformation and residual stresses in the ribbon. This paper presents an implementation of a numerical model proposed for thermoelastoplastic behavior of a material. The model has been used to study the effects of plasticity of silicon on the residual stresses. The material properties required to implement this model are all assumed, and the response of the material to the variations in these assumed parameters of the constitutive law and in the finite element mesh is investigated. The steady state growth process is observed to be periodic with nonzero residual stresses. Numerical difficulties are also encountered in the computer solution process, resulting in sharp jumps and large oscillations in the stress responses.

  6. Two dimentional lattice vibrations from direct product representations of symmetry groups

    Directory of Open Access Journals (Sweden)

    J. N. Boyd

    1983-01-01

    two dimensional crystals. First, the Born cyclic condition is applied to a double chain composed of coupled linear lattices to obtain a cylindrical arrangement. Then the quadratic Lagrangian function for the system is written in matrix notation. The Lagrangian is diagonalized to yield the natural frequencies of the system. The transformation to achieve the diagonalization was obtained from group theorectic considerations. Next, the techniques developed for the double chain are applied to a square lattice. The square lattice is transformed into the toroidal Ising model. The direct product nature of the symmetry group of the torus reveals the transformation to diagonalize the Lagrangian for the Ising model, and the natural frequencies for the principal directions in the model are obtained in closed form.

  7. Spin-lattice relaxation in phosphorescent triplet state molecules

    International Nuclear Information System (INIS)

    Verbeek, P.J.F.

    1979-01-01

    The present thesis contains the results of a study of spin-lattice relaxation (SLR) in the photo-excited triplet state of aromatic molecules, dissolved in a molecular host crystal. It appears that SLR in phosphorescent triplet state molecules often is related to the presence of so-called (pseudo) localized phonons in the molecular mixed crystals. These local phonons can be thought to correspond with vibrations (librations) of the guest molecule in the force field of the surrounding host molecules. Since the intermolecular forces are relatively weak, the frequencies corresponding with these vibrations are relatively low and usually are of the order of 10-30 cm -1 . (Auth.)

  8. On electromagnetic radiation of ultrarelativistic electrons in crystals

    International Nuclear Information System (INIS)

    Podgoretskij, M.I.

    1977-01-01

    Electromagnetic radiation is considered caused by ultrarelativistic channeling electrons moving inside cylindrical regions formed with nuclear heat oscillations of a crystal lattice. An energy asymmetry is predicted for electrons and positrons, generated by γ-quanta falling to a crystal along the crystallographic axes. A possible connection of the above mentioned radiation with the anomalous multiphoton Schein showers is discussed

  9. Shrink, twist, ripple and melt: Studies of frustrated liquid crystals

    Science.gov (United States)

    Fernsler, Jonathan G.

    Complex structures can arise out of a simple system with more than one competing influence on its behavior. The protypical example of this is the two-dimensional triangular lattice Ising model. The ferromagnetic model has two simple degenerate ground states of all spins up or down, but the antiferromagnetic model is a frustrated system. Its geometry does not allow satisfaction of the antiferro condition everywhere, which produces complex ordered structures with dimerization of the spins [1]. Without frustration, the complex structures and phase behavior are lost. All of the topics discussed in this thesis concern smectic liquid crystals. Liquid crystals are perhaps uniquely adept at manifesting frustrated phases. Their combination of periodicity in one or more dimensions allows ordered structures, yet their fluid nature in remaining dimensions allows creation of defects and extraordinarily complex structures in ways that a normal crystal could not tolerate. Liquid crystals contain a huge menagerie of frustrated phases and effects including the polarization modulated [2], vortex lattice [3], twist grain boundary [4], and blue [5] phases, as well as frustrated structures such as cholesteric or SmC* helix unwinding [6], defect lattices in thin films [7], and bend melted grain boundary defects [8], arising from boundary conditions and field effects. In this thesis, we study four liquid crystal systems that show unusual phase behavior or complex structures, deriving from the effects of frustration. Frustration, despite some human prejudices against the word, leaves nature all the more interesting and beautiful.

  10. Signatures of lattice geometry in quantum and topological Hall effect

    International Nuclear Information System (INIS)

    Göbel, Börge; Mook, Alexander; Mertig, Ingrid; Henk, Jürgen

    2017-01-01

    The topological Hall effect (THE) of electrons in skyrmion crystals (SkXs) is strongly related to the quantum Hall effect (QHE) on lattices. This relation suggests to revisit the QHE because its Hall conductivity can be unconventionally quantized. It exhibits a jump and changes sign abruptly if the Fermi level crosses a van Hove singularity. In this Paper, we investigate the unconventional QHE features by discussing band structures, Hall conductivities, and topological edge states for square and triangular lattices; their origin are Chern numbers of bands in the SkX (THE) or of the corresponding Landau levels (QHE). Striking features in the energy dependence of the Hall conductivities are traced back to the band structure without magnetic field whose properties are dictated by the lattice geometry. Based on these findings, we derive an approximation that allows us to determine the energy dependence of the topological Hall conductivity on any two-dimensional lattice. The validity of this approximation is proven for the honeycomb lattice. We conclude that SkXs lend themselves for experiments to validate our findings for the THE and—indirectly—the QHE. (paper)

  11. Characterization of lattice damage in ion implanted silicon: a Monte Carlo simulation combined with double crystal X-ray diffraction

    International Nuclear Information System (INIS)

    Cembali, F.; Mazzone, A.M.; Servidori, M.; Gabilli, E.; Lotti, R.

    1985-01-01

    Double crystal X-ray diffractometry is applied to the characterization of damage in silicon samples, irradiated with 60 keV self-ions for doses ranging from 5 x 10 12 cm -2 to the threshold for amorphisation. The samples were also electron beam annealed in such a condition as to give rise to a temperature of 800 0 C. The in-depth strain and atomic disorder distributions, due to the implantation defects, were determined for the specimens before and after high temperature annealing. This was possible by application of the dynamical theory of X-ray diffraction from imperfect crystals and by taking into account the diffuse (thermal, Compton) scattering accompanying Bragg diffraction intensity measurements. Transmission electron microscopy observations, in conventional (planar) and cross-section mode, were also performed. The results of these analyses were compared with a complex simulation method, designed to account for the physical origin of the disorder. The method consists of a Monte Carlo simulation of the damage growth during implantation and of the defect annealing and clustering in a warm lattice. The evolution of disorder is examined either in the phase of spontaneous annealing subsequent to the implantation or during the externally induced annealing. Theory and experiments led to a close characterization of damage in terms of cluster size, type and concentration, both before and after annealing. (author)

  12. Large three-dimensional photonic crystals based on monocrystalline liquid crystal blue phases.

    Science.gov (United States)

    Chen, Chun-Wei; Hou, Chien-Tsung; Li, Cheng-Chang; Jau, Hung-Chang; Wang, Chun-Ta; Hong, Ching-Lang; Guo, Duan-Yi; Wang, Cheng-Yu; Chiang, Sheng-Ping; Bunning, Timothy J; Khoo, Iam-Choon; Lin, Tsung-Hsien

    2017-09-28

    Although there have been intense efforts to fabricate large three-dimensional photonic crystals in order to realize their full potential, the technologies developed so far are still beset with various material processing and cost issues. Conventional top-down fabrications are costly and time-consuming, whereas natural self-assembly and bottom-up fabrications often result in high defect density and limited dimensions. Here we report the fabrication of extraordinarily large monocrystalline photonic crystals by controlling the self-assembly processes which occur in unique phases of liquid crystals that exhibit three-dimensional photonic-crystalline properties called liquid-crystal blue phases. In particular, we have developed a gradient-temperature technique that enables three-dimensional photonic crystals to grow to lateral dimensions of ~1 cm (~30,000 of unit cells) and thickness of ~100 μm (~ 300 unit cells). These giant single crystals exhibit extraordinarily sharp photonic bandgaps with high reflectivity, long-range periodicity in all dimensions and well-defined lattice orientation.Conventional fabrication approaches for large-size three-dimensional photonic crystals are problematic. By properly controlling the self-assembly processes, the authors report the fabrication of monocrystalline blue phase liquid crystals that exhibit three-dimensional photonic-crystalline properties.

  13. Large Lattice Discretization Effects on the Phase Coexistence of Ionic Fluids

    International Nuclear Information System (INIS)

    Panagiotopoulos, A.Z.; Kumar, S.K.

    1999-01-01

    We examine the phase behavior of lattice restricted primitive models for integer values of the ratio of ionic diameter to lattice spacing, ξ . For ξ≤2 , there is coexistence between a disordered phase and an antiferromagnetic phase, but no vapor-liquid equilibrium. For ξ≥3 , a region of normal vapor-liquid coexistence is found, with critical temperatures and densities which are very close to their continuous space counterparts. Our findings stress that lattice structure can result in qualitatively different physics from continuous space models, but that the two models converge even for relatively coarsely discretized lattices. copyright 1999 The American Physical Society

  14. Vacancies in quantal Wigner crystals near melting

    International Nuclear Information System (INIS)

    Barraza, N.; Colletti, L.; Tosi, M.P.

    1999-04-01

    We estimate the formation energy of lattice vacancies in quantal Wigner crystals of charged particles near their melting point at zero temperature, in terms of the crystalline Lindemann parameter and of the static dielectric function of the fluid phase near freezing. For both 3D and 2D crystals of electrons our results suggest the presence of vacancies in the ground state at the melting density. (author)

  15. Measurements of spin-lattice relaxation time in mixed alkali halide crystals

    International Nuclear Information System (INIS)

    Tannus, A.

    1983-01-01

    Using magneto-optic techniques the ground state spin-lattice relaxation times (T1) of 'F' centers in mixed Alkali Halide cristals (KCl-KBr), was studied. A computer assisted system to optically measure short relaxation times (approx. = 1mS), was described. The technique is based on the measurement of the Magnetic Circular Dicroism (MCD) presented by F centers. The T1 magnetic field dependency at 2 K (up to 65 KGauss), was obtained as well as the MCD spectra for different relative concentration at the mixed matrices. The theory developed by Panepucci and Mollenauer for F centers spin-lattice relaxation in pure matrices was modified to explain the behaviour of T1 in mixed cristals. The Direct Process results (T approx. = 2.0 K) compared against that theory shows that the main relaxation mecanism, up to 25 KGauss, continues to be phonon modulation of the hiperfine iteraction between F electrons and surrounding nuclei. (Author) [pt

  16. The role of crystal orientation and surface proximity in the self-similar behavior of deformed Cu single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Judy W.L., E-mail: pangj@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Ice, Gene E. [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Liu Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2010-11-25

    We report on novel 3D spatially resolved X-ray diffraction microscopy studies of self-affine behavior in deformed single crystals. This study extends surface profile measurements of self-affined morphology changes in single crystals during deformation to include local lattice rotations and sub-surface behavior. Investigations were made on the spatial correlation of the local lattice rotations in 8% tensile deformed Cu single crystals oriented with [1 2 3], [1 1 1] and [0 0 1] axes parallel to the tensile axis. The nondestructive depth-resolved measurements were made over a length scale of one to hundreds of micrometers. Self-affined correlation was found both at the surface and below the surface of the samples. A universal exponent for the power-law similar to that observed with surface profile methods is found at the surface of all samples but crystallographically sensitive changes are observed as a function of depth. Correlation lengths of the self-affine behavior vary with the [1 2 3] crystal exhibiting the longest self-affine length scale of 70 {mu}m with only 18 {mu}m for the [1 1 1] and [0 0 1] crystals. These measurements illuminate the transition from surface-like to bulk-like deformation behavior and provide new quantitative information to guide emerging models of self-organized structures in plasticity.

  17. Crystal structure determination of Efavirenz

    International Nuclear Information System (INIS)

    Popeneciu, Horea; Dumitru, Ristoiu; Tripon, Carmen; Borodi, Gheorghe; Pop, Mihaela Maria

    2015-01-01

    Needle-shaped single crystals of the title compound, C 14 H 9 ClF 3 NO 2 , were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring

  18. The effect of nanoscratching direction on the plastic deformation and surface morphology of InP crystals

    Energy Technology Data Exchange (ETDEWEB)

    Huang, J. Y.; Ponce, F. A. [Department of Physics, Arizona State University, Tempe, Arizona 85287-1504 (United States); Caldas, P. G.; Prioli, R. [Departamento de Física, Pontificia Universidade Católica do Rio de Janeiro, Marques de São Vicente 225, Rio de Janeiro, 22453-900 Rio de Janeiro (Brazil); Almeida, C. M. [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Technología (INMETRO), Duque de Caxias, Rio de Janeiro 25250-020 (Brazil)

    2013-11-28

    The microstructure of (001) InP crystals scratched with a sharp diamond tip depends strongly on the scratching direction. The scratch surface is found to conform to the radius of curvature of the tip (∼60 nm) by the formation of atomic crystal steps produced by dislocation glide along (111) planes. 〈110〉 scratches lead to coherent local crystal lattice movement and rotation causing deep dislocation propagation into the crystal and irregular pileups at the sides of the scratch surface. 〈100〉 scratches lead to incoherent lattice movement causing dislocation locking that inhibits their propagation and results in regular pileups.

  19. Microscopic origins of anisotropic active stress in motor-driven nematic liquid crystals.

    Science.gov (United States)

    Blackwell, Robert; Sweezy-Schindler, Oliver; Baldwin, Christopher; Hough, Loren E; Glaser, Matthew A; Betterton, M D

    2016-03-14

    The cytoskeleton, despite comprising relatively few building blocks, drives an impressive variety of cellular phenomena ranging from cell division to motility. These building blocks include filaments, motor proteins, and static crosslinkers. Outside of cells, these same components can form novel materials exhibiting active flows and nonequilibrium contraction or extension. While dipolar extensile or contractile active stresses are common in nematic motor-filament systems, their microscopic origin remains unclear. Here we study a minimal physical model of filaments, crosslinking motors, and static crosslinkers to dissect the microscopic mechanisms of stress generation in a two-dimensional system of orientationally aligned rods. We demonstrate the essential role of filament steric interactions which have not previously been considered to significantly contribute to active stresses. With this insight, we are able to tune contractile or extensile behavior through the control of motor-driven filament sliding and crosslinking. This work provides a roadmap for engineering stresses in active liquid crystals. The mechanisms we study may help explain why flowing nematic motor-filament mixtures are extensile while gelled systems are contractile.

  20. High-temperature Raman study of L-alanine, L-threonine and taurine crystals related to thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Cavaignac, A.L.O. [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Lima, R.J.C., E-mail: ricardo.lima.ufma@gmail.com [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Façanha Filho, P.F. [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Moreno, A.J.D. [Coordenação de Ciências Naturais, Universidade Federal do Maranhão, Bacabal, MA 65700-000 (Brazil); Freire, P.T.C. [Departamento de Física, Universidade Federal do Ceará, Fortaleza, CE 60455-760 (Brazil)

    2016-03-01

    In this work high-temperature Raman spectra are used to compare temperature dependence of the lattice mode wavenumber of L-alanine, L-threonine and taurine crystals. Anharmonic effects observed are associated with intermolecular N-H· · ·O hydrogen bond that plays an important role in thermal decomposition process of these materials. Short and strong hydrogen bonds in L-alanine crystal were associated with anharmonic effects in lattice modes leading to low thermal stability compared to taurine crystals. Connection between thermal decomposition process and anharmonic effects is furnished for the first time.

  1. High-temperature Raman study of L-alanine, L-threonine and taurine crystals related to thermal decomposition

    International Nuclear Information System (INIS)

    Cavaignac, A.L.O.; Lima, R.J.C.; Façanha Filho, P.F.; Moreno, A.J.D.; Freire, P.T.C.

    2016-01-01

    In this work high-temperature Raman spectra are used to compare temperature dependence of the lattice mode wavenumber of L-alanine, L-threonine and taurine crystals. Anharmonic effects observed are associated with intermolecular N-H· · ·O hydrogen bond that plays an important role in thermal decomposition process of these materials. Short and strong hydrogen bonds in L-alanine crystal were associated with anharmonic effects in lattice modes leading to low thermal stability compared to taurine crystals. Connection between thermal decomposition process and anharmonic effects is furnished for the first time.

  2. Numerical simulation of distorted crystal Darwin width

    International Nuclear Information System (INIS)

    Wang Li; Xu Zhongmin; Wang Naxiu

    2012-01-01

    A new numerical simulation method according to distorted crystal optical theory was used to predict the direct-cooling crystal monochromator optical properties(crystal Darwin width) in this study. The finite element analysis software was used to calculate the deformed displacements of DCM crystal and to get the local reciprocal lattice vector of distorted crystal. The broadening of direct-cooling crystal Darwin width in meridional direction was estimated at 4.12 μrad. The result agrees well with the experimental data of 5 μrad, while it was 3.89 μrad by traditional calculation method of root mean square (RMS) of the slope error in the center line of footprint. The new method provides important theoretical support for designing and processing of monochromator crystal for synchrotron radiation beamline. (authors)

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

    Science.gov (United States)

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

    2017-05-23

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

  4. Tunable Channel Drop Filter in a Two-Dimensional Photonic Crystal Modulated by a Nematic Liquid Crystal

    Directory of Open Access Journals (Sweden)

    2006-01-01

    Full Text Available Photonic crystals (PCs have many potential applications because of their ability to control light-wave propagation and because PC-based waveguides may be integrated into optical circuits. We propose a novel tunable PC channel drop filter based on nematic liquid crystals and investigate its properties numerically by using the finite-difference time-domain (FDTD method. The refractive indices of liquid crystals can be actively modulated after infiltrating nematic liquid crystals into the microcavity in PC waveguides with square lattices. Then we can control light propagation in a PC waveguide. We analyze the Q -factors and resonance frequencies of a tunable PC channel drop filter by considering various indices modulation of liquid crystals. The novel component can be used as wavelength division multiplexing in photonic integrated circuits.

  5. Lattice dynamics of α-cerium

    International Nuclear Information System (INIS)

    Smith, G.S.

    1985-01-01

    The lattice dynamics of the fcc α-phase of cerium metal was investigated using inelastic neutron scattering techniques. This phase of cerium is an example of a mixed-valent system. Various physical properties of α-Ce suggest that there may be coupling between the phonons and the f d transitions associated with the mixed valence phenomenon. These measurements of the dispersion curves provide important information about the electron-phonon interaction in this phase of cerium. These studies were not performed in the past because single crystals of α-Ce were not available. We were able to prepare a single α-Ce crystal using a high temperature, high pressure technique. The sample was of sufficient size for inelastic neutron scattering experiments, but the measurements were complicated because of the large mosaic spread (approx.7.0 0 ) of the crystal. It was possible, however, to obtain a set of dispersion curves along the [00zeta], [zeta,zeta,0], and [zeta,zeta,zeta] symmetry directions. Comparison of the dispersion curves with those of fcc γ-Ce indicate that the branches exhibit anomalous features that may be related to the mixed-valence effects

  6. Elucidations on the reciprocal lattice and the Ewald sphere

    International Nuclear Information System (INIS)

    Foadi, J; Evans, G

    2008-01-01

    The reciprocal lattice is derived through the Fourier transform of a generic crystal lattice, as done previously in the literature. A few key derivations are this time handled in detail, and the connection with x-ray diffraction is clearly pointed out. The Ewald sphere is subsequently thoroughly explained and a few comments on its representation in a mixed real-reciprocal space are made. In particular, it appears that the majority of textbooks or papers on the subject are limited in their way of picturing it. This paper will be useful to solid state and/or crystallography teachers. It is also suitable for graduate students researching these subjects and for talented undergraduate students

  7. Thermodynamics of Crystals

    Science.gov (United States)

    Navrotsky, Alexandra

    Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.

  8. On Traveling Waves in Lattices: The Case of Riccati Lattices

    Science.gov (United States)

    Dimitrova, Zlatinka

    2012-09-01

    The method of simplest equation is applied for analysis of a class of lattices described by differential-difference equations that admit traveling-wave solutions constructed on the basis of the solution of the Riccati equation. We denote such lattices as Riccati lattices. We search for Riccati lattices within two classes of lattices: generalized Lotka-Volterra lattices and generalized Holling lattices. We show that from the class of generalized Lotka-Volterra lattices only the Wadati lattice belongs to the class of Riccati lattices. Opposite to this many lattices from the Holling class are Riccati lattices. We construct exact traveling wave solutions on the basis of the solution of Riccati equation for three members of the class of generalized Holling lattices.

  9. Square-lattice magnetism of diaboleite Pb2Cu(OH)4Cl2

    Science.gov (United States)

    Tsirlin, Alexander A.; Janson, Oleg; Lebernegg, Stefan; Rosner, Helge

    2013-02-01

    We report on the quasi-two-dimensional magnetism of the natural mineral diaboleite Pb2Cu(OH)4Cl2 with a tetragonal crystal structure, which is closely related to that of the frustrated spin-(1)/(2) magnet PbVO3. Magnetic susceptibility of diaboleite is well described by a Heisenberg spin model on a diluted square lattice with the nearest-neighbor exchange of J≃35 K and about 5% of nonmagnetic impurities. The dilution of the spin lattice reflects the formation of Cu vacancies that are tolerated by the crystal structure of diaboleite. The weak coupling between the magnetic planes triggers the long-range antiferromagnetic order below TN≃11 K. No evidence of magnetic frustration is found. We also analyze the signatures of the long-range order in heat-capacity data, and discuss the capability of identifying magnetic transitions with heat-capacity measurements.

  10. LATTICE: an interactive lattice computer code

    International Nuclear Information System (INIS)

    Staples, J.

    1976-10-01

    LATTICE is a computer code which enables an interactive user to calculate the functions of a synchrotron lattice. This program satisfies the requirements at LBL for a simple interactive lattice program by borrowing ideas from both TRANSPORT and SYNCH. A fitting routine is included

  11. Crystal twinning of human MD-2 recognizing endotoxin cores of lipopolysaccharide

    International Nuclear Information System (INIS)

    Ohto, Umeharu; Satow, Yoshinori

    2008-01-01

    Twinned crystals of humaan MD-2 are transformed into single crystals with cryoprotectant optimization. Twinning of crystals causes overlapping of two or more reciprocal lattice points, and hence structure amplitudes for a single crystalline domain are hardly obtained from X-ray diffraction intensities. MD-2 protein forms a stable complex with Toll-like receptor 4 and recognizes bacterial lipopolysaccharide (LPS). Excessive immune responses activated by LPS cause septic shocks. Saccharide-trimmed human MD-2 crystallizes in the tetragonal form with apparent Laue symmetry of 4/mmm, and diffraction intensities from these crystals indicate crystal twinning. The crystal consists of two different domains, A and B. The c A axis of domain A coincides with the c B axis of domain B with a smaller lattice, and the a A axis corresponds to the (a B + b B ) axis. This twinning severely imposes difficulty in structure determination. Through optimization of cryoprotectant, domain A was thoroughly transformed into domain B. The crystal containing only domain B is in space group P4 1 2 1 2 with one MD-2 molecule in the asymmetric unit. The structure of this form of MD-2 as well as its complex with antiendotoxic lipid IVa was successfully determined using the multiple isomorphous replacement method

  12. Chiral Asymmetric Structures in Aspartic Acid and Valine Crystals Assessed by Atomic Force Microscopy.

    Science.gov (United States)

    Teschke, Omar; Soares, David Mendez

    2016-03-29

    Structures of crystallized deposits formed by the molecular self-assembly of aspartic acid and valine on silicon substrates were imaged by atomic force microscopy. Images of d- and l-aspartic acid crystal surfaces showing extended molecularly flat sheets or regions separated by single molecule thick steps are presented. Distinct orientation surfaces were imaged, which, combined with the single molecule step size, defines the geometry of the crystal. However, single molecule step growth also reveals the crystal chirality, i.e., growth orientations. The imaged ordered lattice of aspartic acid (asp) and valine (val) mostly revealed periodicities corresponding to bulk terminations, but a previously unreported molecular hexagonal lattice configuration was observed for both l-asp and l-val but not for d-asp or d-val. Atomic force microscopy can then be used to identify the different chiral forms of aspartic acid and valine crystals.

  13. Kinetics of oriented crystallization of polymers in the linear stress-orientation range in the series expansion approach

    Directory of Open Access Journals (Sweden)

    L. Jarecki

    2018-04-01

    Full Text Available An analytical formula is derived for the oriented crystallization coefficient governing kinetics of oriented crystallization under uniaxial amorphous orientation in the entire temperature range. A series expansion approach is applied to the free energy of crystallization in the Hoffman-Lauritzen kinetic model of crystallization at accounting for the entropy of orientation of the amorphous chains. The series expansion coefficients are calculated for systems of Gaussian chains in linear stress-orientation range. Oriented crystallization rate functions are determined basing on the ‘proportional expansion’ approach proposed by Ziabicki in the steady-state limit. Crystallization kinetics controlled by separate predetermined and sporadic primary nucleation is considered, as well as the kinetics involving both nucleation mechanisms potentially present in oriented systems. The involvement of sporadic nucleation in the transformation kinetics is predicted to increase with increasing amorphous orientation. Example computations illustrate the dependence of the calculated functions on temperature and amorphous orientation, as well as qualitative agreement of the calculations with experimental results.

  14. Lattice thermal expansion and solubility limits of neodymium-doped ceria

    International Nuclear Information System (INIS)

    Zhang, Jinhua; Ke, Changming; Wu, Hongdan; Yu, Jishun; Wang, Jingran

    2016-01-01

    Nd x Ce 1−x O 2−0.5x (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd 3+ , and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are higher than 13.5×10 −6 °C −1 from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd x Ce 1−x O 2−0.5x (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.

  15. X-ray diffraction studies of NbTe 2 single crystal

    Indian Academy of Sciences (India)

    The composition of the grown crystals was confirmed on the basis of energy dispersive analysis by X-ray (EDAX) and remaining structural characterization was also accomplished by X-ray diffraction (XRD) studies. Lattice parameters, volume and X-ray density have been carried out for the grown crystals. The particle size ...

  16. Spin-Orbital Quantum Liquid on the Honeycomb Lattice

    Directory of Open Access Journals (Sweden)

    Philippe Corboz

    2012-11-01

    Full Text Available The main characteristic of Mott insulators, as compared to band insulators, is to host low-energy spin fluctuations. In addition, Mott insulators often possess orbital degrees of freedom when crystal-field levels are partially filled. While in the majority of Mott insulators, spins and orbitals develop long-range order, the possibility for the ground state to be a quantum liquid opens new perspectives. In this paper, we provide clear evidence that the spin-orbital SU(4 symmetric Kugel-Khomskii model of Mott insulators on the honeycomb lattice is a quantum spin-orbital liquid. The absence of any form of symmetry breaking—lattice or SU(N—is supported by a combination of semiclassical and numerical approaches: flavor-wave theory, tensor network algorithm, and exact diagonalizations. In addition, all properties revealed by these methods are very accurately accounted for by a projected variational wave function based on the π-flux state of fermions on the honeycomb lattice at 1/4 filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the symmetric Kugel-Khomskii model on the honeycomb lattice is an algebraic quantum spin-orbital liquid. This model provides an interesting starting point to understanding the recently discovered spin-orbital-liquid behavior of Ba_{3}CuSb_{2}O_{9}. The present results also suggest the choice of optical lattices with honeycomb geometry in the search for quantum liquids in ultracold four-color fermionic atoms.

  17. Tunable alumina 2D photonic-crystal structures via biomineralization of peacock tail feathers

    Science.gov (United States)

    Jiang, Yonggang; Wang, Rui; Feng, Lin; Li, Jian; An, Zhonglie; Zhang, Deyuan

    2018-04-01

    Peacock tail feathers with subtle periodic nanostructures exhibit diverse striking brilliancy, which can be applied as natural templates to fabricate artificial photonic crystals (PhCs) via a biomineralization method. Alumina photonic-crystal structures are successfully synthesized via an immersion and two-step calcination process. The lattice constants of the artificial PhCs are greatly reduced compared to their natural matrices. The lattice constants are tunable by modifying the final annealing conditions in the biomineralization process. The reflection spectra of the alumina photonic-crystal structures are measured, which is related to their material and structural parameters. This work suggests a facile fabrication process to construct alumina PhCs with a high-temperature resistance.

  18. Characterization of a polychromatic neutron beam diffracted by pyrolytic graphite crystals

    CERN Document Server

    Byun, S H; Choi, H D

    2002-01-01

    The beam spectrum for polychromatic neutrons diffracted by pyrolytic graphite crystals was characterized. The theoretical beam spectrum was obtained using the diffraction model for a mosaic crystal. The lattice vibration effects were included in the calculation using the reported vibration amplitude of the crystal and the measured time-of-flight spectra in the thermal region. The calculated beam spectrum was compared with the results obtained in the absence of thermal motion. The lattice vibration effects became more important for the higher diffraction orders and a large decrease in the neutron flux induced by the vibrations was identified in the epithermal region. The validity of the beam spectrum was estimated by comparing with the effective quantities determined from prompt gamma-ray measurements and Cd-ratios measured both for 1/nu and non-1/nu nuclides.

  19. Investigation of electronic lattice structure by positron annihilation in some insulators

    International Nuclear Information System (INIS)

    Coussot, Gerard

    1970-01-01

    The angular distribution of gamma quanta resulting from positron annihilation in single insulator crystals was measured with long slit geometry apparatus for intense positron sources ( 64 Cu ≅ 1 Ci). Two new phenomena were observed in the angular correlation curves. In the f. c. c. MgO, UO 2 , CaF 2 crystals, modulations appeared at angles corresponding to the limit of the first Brillouin zone in relation to the crystallographic direction studied. In SiO 2 , F 2 Mg, F 2 Mn crystals, a narrow peak at 0 mrad and a fine structure superimposed on the broad distribution, were resolved. The fine structure which is correlated with the narrow component is characterized by modulations appearing at angles corresponding to the projection of reciprocal lattice vectors along the crystallographic direction investigated. The narrow peak at p ≅ 0 suggests the formation of a bound state (positron-electron). If this bound state is described by a Bloch wave, the modulations observed correspond to the Fourier components which contribute to every reciprocal lattice vector p = G ('Umklapp' process). This model predicts that the 'Umklapp' process in polycrystals must produce a change in slope which can be experimentally observed. A systematic research of optimal observation conditions shows that the intensity of the narrow component is closely correlated with the purity and the perfection of the crystal where p-Ps is presumably formed as suggested by magnetic experiments. (author) [fr

  20. High mobility AlGaN/GaN heterostructures grown on Si substrates using a large lattice-mismatch induced stress control technology

    International Nuclear Information System (INIS)

    Cheng, Jianpeng; Yang, Xuelin; Sang, Ling; Guo, Lei; Hu, Anqi; Xu, Fujun; Tang, Ning; Wang, Xinqiang; Shen, Bo

    2015-01-01

    A large lattice-mismatch induced stress control technology with a low Al content AlGaN layer has been used to grow high quality GaN layers on 4-in. Si substrates. The use of this technology allows for high mobility AlGaN/GaN heterostructures with electron mobility of 2040 cm 2 /(V·s) at sheet charge density of 8.4 × 10 12  cm −2 . Strain relaxation and dislocation evolution mechanisms have been investigated. It is demonstrated that the large lattice mismatch between the low Al content AlGaN layer and AlN buffer layer could effectively promote the edge dislocation inclination with relatively large bend angles and therefore significantly reduce the dislocation density in the GaN epilayer. Our results show a great potential for fabrication of low-cost and high performance GaN-on-Si power devices

  1. Three-dimensional magnetophotonic crystals based on artificial opals

    Science.gov (United States)

    Baryshev, A. V.; Kodama, T.; Nishimura, K.; Uchida, H.; Inoue, M.

    2004-06-01

    We fabricated and experimentally investigated three-dimensional magnetophotonic crystals (3D MPCs) based on artificial opals. Opal samples with three-dimensional dielectric lattices were impregnated with different types of magnetic material. Magnetic and structural properties of 3D MPCs were studied by field emission scanning electron microscopy, x-ray diffraction analysis, and vibrating sample magnetometer. We have shown that magnetic materials synthesized in voids of opal lattices and the composites obtained have typical magnetic properties.

  2. Three-dimensional magnetophotonic crystals based on artificial opals

    International Nuclear Information System (INIS)

    Baryshev, A.V.; Kodama, T.; Nishimura, K.; Uchida, H.; Inoue, M.

    2004-01-01

    We fabricated and experimentally investigated three-dimensional magnetophotonic crystals (3D MPCs) based on artificial opals. Opal samples with three-dimensional dielectric lattices were impregnated with different types of magnetic material. Magnetic and structural properties of 3D MPCs were studied by field emission scanning electron microscopy, x-ray diffraction analysis, and vibrating sample magnetometer. We have shown that magnetic materials synthesized in voids of opal lattices and the composites obtained have typical magnetic properties

  3. Image transfer by cascaded stack of photonic crystal and air layers

    NARCIS (Netherlands)

    Shen, C.; Michielsen, K.; Raedt, H. De

    2006-01-01

    We demonstrate image transfer by a cascaded stack consisting of two and three triangular-lattice photonic crystal slabs separated by air. The quality of the image transfered by the stack is sensitive to the air/photonic crystal interface termination and the frequency. Depending on the frequency and

  4. Investigations of the EPR parameters and local lattice structure for the rhombic Cu{sup 2+} centre in TZSH crystal

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chao-Ying; Liu, Shi-Fei; Fu, Jin-Xian [Shangrao Normal University, Jiangxi (China). School of Physics and Electronic Information

    2016-07-01

    The electron paramagnetic resonance (EPR) parameters [i.e. g factors g{sub i} (i=x, y, z) and hyperfine structure constants A{sub i}] and the local lattice structure for the Cu{sup 2+} centre in Tl{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O (TZSH) crystal were theoretically investigated by utilising the perturbation formulae of these parameters for a 3d{sup 9} ion under rhombically elongated octahedra. In the calculations, the admixture of d orbitals in the ground state and the ligand orbital and spin-orbit coupling interactions are taken into account based on the cluster approach. The theoretical EPR parameters show good agreement with the observed values, and the Cu{sup 2+}-H{sub 2}O bond lengths are obtained as follows: R{sub x}∼1.98 Aa, R{sub y}∼2.09 Aa, R{sub z}∼2.32 Aa. The results are discussed.

  5. Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films

    Science.gov (United States)

    Kolosov, Vladimir

    Exotic thin crystals with unexpected transrotational microstructures have been discovered by transmission electron microscopy (TEM) for crystal growth in thin (10-100 nm) amorphous films of different chemical nature (oxides, chalcogenides, metals and alloys) prepared by various methods. Primarily we use our TEM bend contour technique. The unusual phenomenon can be traced in situ in TEM column: dislocation independent regular internal bending of crystal lattice planes in a growing crystal. Such transrotation (unit cell trans lation is complicated by small rotationrealized round an axis lying in the film plane) can result in strong regular lattice orientation gradients (up to 300 degrees per micrometer) of different geometries: cylindrical, ellipsoidal, toroidal, saddle, etc. Transrotation is increasing as the film gets thinner. Transrotational crystal resembles ideal single crystal enclosed in a curved space. Transrotational micro crystals have been eventually recognized by other authors in some vital thin film materials, i.e. PCMs for memory, silicides, SrTiO3. Atomic model and possible mechanisms of the phenomenon are discussed. New transrotational nanocrystalline model of amorphous state is also proposed Support of RF Ministry of Education and Science is acknowledged.

  6. Response of Seven Crystallographic Orientations of Sapphire Crystals to Shock Stresses of 16 to 86 GPa

    OpenAIRE

    Kanel, G. I.; Nellis, W. J.; Savinykh, A. S.; Razorenov, S. V.; Rajendran, A. M.

    2009-01-01

    Shock-wave profiles of sapphire (single-crystal Al2O3) with seven crystallographic orientations were measured with time-resolved VISAR interferometry at shock stresses in the range 16 to 86 GPa. Shock propagation was normal to the surface of each cut. The angle between the c-axis of the hexagonal crystal structure and the direction of shock propagation varied from 0 for c-cut up to 90 degrees for m-cut in the basal plane. Based on published shock-induced transparencies, shock-induced optical ...

  7. Femtosecond visualization of lattice dynamics in shock-compressed matter.

    Science.gov (United States)

    Milathianaki, D; Boutet, S; Williams, G J; Higginbotham, A; Ratner, D; Gleason, A E; Messerschmidt, M; Seibert, M M; Swift, D C; Hering, P; Robinson, J; White, W E; Wark, J S

    2013-10-11

    The ultrafast evolution of microstructure is key to understanding high-pressure and strain-rate phenomena. However, the visualization of lattice dynamics at scales commensurate with those of atomistic simulations has been challenging. Here, we report femtosecond x-ray diffraction measurements unveiling the response of copper to laser shock-compression at peak normal elastic stresses of ~73 gigapascals (GPa) and strain rates of 10(9) per second. We capture the evolution of the lattice from a one-dimensional (1D) elastic to a 3D plastically relaxed state within a few tens of picoseconds, after reaching shear stresses of 18 GPa. Our in situ high-precision measurement of material strength at spatial (<1 micrometer) and temporal (<50 picoseconds) scales provides a direct comparison with multimillion-atom molecular dynamics simulations.

  8. Ultrafast lattice dynamics in photoexcited nanostructures. Femtosecond X-ray diffraction with optimized evaluation schemes

    International Nuclear Information System (INIS)

    Schick, Daniel

    2013-01-01

    Within the course of this thesis, I have investigated the complex interplay between electron and lattice dynamics in nanostructures of perovskite oxides. Femtosecond hard X-ray pulses were utilized to probe the evolution of atomic rearrangement directly, which is driven by ultrafast optical excitation of electrons. The physics of complex materials with a large number of degrees of freedom can be interpreted once the exact fingerprint of ultrafast lattice dynamics in time-resolved X-ray diffraction experiments for a simple model system is well known. The motion of atoms in a crystal can be probed directly and in real-time by femtosecond pulses of hard X-ray radiation in a pump-probe scheme. In order to provide such ultrashort X-ray pulses, I have built up a laser-driven plasma X-ray source. The setup was extended by a stable goniometer, a two-dimensional X-ray detector and a cryogen-free cryostat. The data acquisition routines of the diffractometer for these ultrafast X-ray diffraction experiments were further improved in terms of signal-to-noise ratio and angular resolution. The implementation of a high-speed reciprocal-space mapping technique allowed for a two-dimensional structural analysis with femtosecond temporal resolution. I have studied the ultrafast lattice dynamics, namely the excitation and propagation of coherent phonons, in photoexcited thin films and superlattice structures of the metallic perovskite SrRuO 3 . Due to the quasi-instantaneous coupling of the lattice to the optically excited electrons in this material a spatially and temporally well-defined thermal stress profile is generated in SrRuO 3 . This enables understanding the effect of the resulting coherent lattice dynamics in time-resolved X-ray diffraction data in great detail, e.g. the appearance of a transient Bragg peak splitting in both thin films and superlattice structures of SrRuO 3 . In addition, a comprehensive simulation toolbox to calculate the ultrafast lattice dynamics and the

  9. Study of lattice strain evolution during biaxial deformation of stainless steel using a finite element and fast Fourier transform based multi-scale approach

    International Nuclear Information System (INIS)

    Upadhyay, M.V.; Van Petegem, S.; Panzner, T.; Lebensohn, R.A.; Van Swygenhoven, H.

    2016-01-01

    A multi-scale elastic-plastic finite element and fast Fourier transform based approach is proposed to study lattice strain evolution during uniaxial and biaxial loading of stainless steel cruciform shaped samples. At the macroscale, finite element simulations capture the complex coupling between applied forces in the arms and gauge stresses induced by the cruciform geometry. The predicted gauge stresses are used as macroscopic boundary conditions to drive a mesoscale elasto-viscoplastic fast Fourier transform model, from which lattice strains are calculated for particular grain families. The calculated lattice strain evolution matches well with experimental values from in-situ neutron diffraction measurements and demonstrates that the spread in lattice strain evolution between different grain families decreases with increasing biaxial stress ratio. During equibiaxial loading, the model reveals that the lattice strain evolution in all grain families, and not just the 311 grain family, is representative of the polycrystalline response. A detailed quantitative analysis of the 200 and 220 grain family reveals that the contribution of elastic and plastic anisotropy to the lattice strain evolution significantly depends on the applied stress ratio.

  10. Diffusion in Coulomb crystals.

    Science.gov (United States)

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  11. Topological photonic crystals with zero Berry curvature

    Science.gov (United States)

    Liu, Feng; Deng, Hai-Yao; Wakabayashi, Katsunori

    2018-02-01

    Topological photonic crystals are designed based on the concept of Zak's phase rather than the topological invariants such as the Chern number and spin Chern number, which rely on the existence of a nonvanishing Berry curvature. Our photonic crystals (PCs) are made of pure dielectrics and sit on a square lattice obeying the C4 v point-group symmetry. Two varieties of PCs are considered: one closely resembles the electronic two-dimensional Su-Schrieffer-Heeger model, and the other continues as an extension of this analogy. In both cases, the topological transitions are induced by adjusting the lattice constants. Topological edge modes (TEMs) are shown to exist within the nontrivial photonic band gaps on the termination of those PCs. The high efficiency of these TEMs transferring electromagnetic energy against several types of disorders has been demonstrated using the finite-element method.

  12. Motion of dislocation kinks in a simple model crystal

    International Nuclear Information System (INIS)

    Koizumi, H.; Suzuki, T.

    2005-01-01

    To investigate the effects of lattice periodicity on kink motion, a molecular-dynamic simulation for a kink in a screw dislocation has been performed in a simple model lattice of diamond type. The Stillinger-Weber potential is assumed to act between atoms. Under applied stresses larger than 0.0027G, a long distance motion of a kink is possible, where G is the shear modulus. A moving kink emits lattice waves and loses its kinetic energy, which is compensated by the applied stress. The kink attains a terminal velocity after moving a few atomic distances. The kink velocity is not proportional to the applied stress, and exceeds the shear wave velocity when the applied stress is larger than 0.026G. The energy loss of the moving kink is one order of magnitude smaller than that of a moving straight dislocation and is about the same order of magnitude as the theoretical value of phonon-scattering mechanisms at room temperature

  13. The influence of cobalt, tantalum, and tungsten on the elevated temperature mechanical properties of single crystal nickel-base superalloys

    Science.gov (United States)

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

    1985-01-01

    The influence of composition on the tensile and creep strength of 001-line oriented nickel-base superalloy single crystals at temperatures near 1000 C was investigated. Cobalt, tantalum, and tungsten concentrations were varied according to a matrix of compositions based on the single crystal version of MAR-M247. For alloys with the baseline refractory metal level of 3 wt pct Ta and 10 wt pct W, decreases in Co level from 10 to 0 wt pct resulted in increased tensile and creep strength. Substitution of 2 wt pct W for 3 wt pct Ta resulted in decreased creep life at high stresses, but improved life at low stresses. Substitution of Ni for Ta caused large reductions in tensile strength and creep resistance, and corresponding increases in ductility. For these alloys with low Ta-plus-W totals, strength was independent of Co level. The effects of composition on properties were related to the microstructural features of the alloys. In general, high creep strength was associated with high levels of gamma-prime volume fraction, gamma-gamma-prime lattice mismatch, and solid solution hardening.

  14. Numerical simulation of terahertz-wave propagation in photonic crystal waveguide based on sapphire shaped crystal

    International Nuclear Information System (INIS)

    Zaytsev, Kirill I; Katyba, Gleb M; Mukhina, Elena E; Kudrin, Konstantin G; Karasik, Valeriy E; Yurchenko, Stanislav O; Kurlov, Vladimir N; Shikunova, Irina A; Reshetov, Igor V

    2016-01-01

    Terahertz (THz) waveguiding in sapphire shaped single crystal has been studied using the numerical simulations. The numerical finite-difference analysis has been implemented to characterize the dispersion and loss in the photonic crystalline waveguide containing hollow cylindrical channels, which form the hexagonal lattice. Observed results demonstrate the ability to guide the THz-waves in multi-mode regime in wide frequency range with the minimal power extinction coefficient of 0.02 dB/cm at 1.45 THz. This shows the prospectives of the shaped crystals for highly-efficient THz waveguiding. (paper)

  15. Computational study of heat transport in compositionally disordered binary crystals

    International Nuclear Information System (INIS)

    Lyver, John W.; Blaisten-Barojas, Estela

    2006-01-01

    The thermal conductivity of compositionally disordered binary crystals with atoms interacting through Lennard-Jones potentials has been studied as a function of temperature. The two species in the crystal differ in mass, hard-core atomic diameter, well depth and relative concentration. The isobaric Monte Carlo was used to equilibrate the samples at near-zero pressure. The isoenergy molecular dynamics combined with the Green-Kubo approach was taken to calculate the heat current time-dependent autocorrelation function and determine the lattice thermal conductivity of the sample. The inverse temperature dependence of the lattice thermal conductivity was shown to fail at low temperatures when the atomic diameters of the two species differ. Instead, the thermal conductivity was nearly a constant across temperatures for species with different atomic diameters. Overall, it is shown that there is a dramatic decrease of the lattice thermal conductivity with increasing atomic radii ratio between species and a moderate decrease due to mass disorder

  16. Parallel computer calculation of quantum spin lattices

    International Nuclear Information System (INIS)

    Lamarcq, J.

    1998-01-01

    Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane's conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation

  17. Cracking of GaN on sapphire from etch-process-induced nonuniformity in residual thermal stress

    International Nuclear Information System (INIS)

    Lacroix, Yves; Chung, Sung-Hoon; Sakai, Shiro

    2001-01-01

    An experiment was performed to explain the appearance of cracks along mesa structures during the processing of GaN device layers grown on sapphire substrates. Micro-Raman spectroscopy was used to measure the position-dependent stress in the GaN layer. We show evidence that the stress at the interface with the substrate may be larger along the mesa structures than that of the as-grown layer, and that this increase in stress can be enough to induce cracks along mesa structures during processing. We report on the formation of cracks that propagate guided by the nonuniformity of the stress induced by the formation of mesa structures in the GaN layer, independent of crystal direction. The understanding of cracking mechanisms has implications in GaN-based device structures that require heteroepitaxial growth of layers with different lattice size and thermal expansion coefficients. [copyright] 2001 American Institute of Physics

  18. Coupled Photonic Crystal Cavity Array Laser

    DEFF Research Database (Denmark)

    Schubert, Martin

    in the quadratic lattice. Processing techniques are developed and optimized in order fabricate photonic crystals membranes in gallium arsenide with quantum dots as gain medium and in indium gallium arsenide phosphide with quantum wells as gain medium. Several key issues in process to ensure good quality....... The results are in good agreement with standard coupled mode theory. Also a novel type of photonic crystal structure is proposed called lambda shifted cavity which is a twodimensional photonic crystal laser analog of a VCSEL laser. Detailed measurements of the coupled modes in the photonic crystals...... with quantum dots are carried out. In agreement with a simple gain model the structures do not show stimulated emission. The spectral splitting due to the coupling between single cavities as well as arrays of cavities is studied theoretically and experimentally. Lasing is observed for photonic crystal cavity...

  19. Intergrain Coupling in Dusty-Plasma Coulomb Crystals

    International Nuclear Information System (INIS)

    Mohideen, U.; Smith, M.A.; Rahman, H.U.; Rosenberg, M.; Mendis, D.A.

    1998-01-01

    We have studied the lattice structure of dusty-plasma Coulomb crystals formed in rectangular conductive grooves as a function of plasma temperature and density. The crystal appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. A simple phenomenological model wherein the intergrain spacing results from an attractive electric-field-induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal. copyright 1998 The American Physical Society

  20. Low Loss Single-Mode Porous-Core Kagome Photonic Crystal Fiber for THz Wave Guidance

    DEFF Research Database (Denmark)

    Hasanuzzaman, G. K. M.; Habib, Selim; Abdur Razzak, S. M.

    2015-01-01

    A novel porous-core kagome lattice photonic crystal fiber (PCF) is designed and analyzed in this paper for terahertz (THz) wave guidance. Using finite element method (FEM), properties of the proposed kagome lattice PCF are simulated in details including the effective material loss (EML), confinem...

  1. Charge-lattice interplay in layered cobaltates RBaCo2O5+x

    Science.gov (United States)

    Lavrov, A. N.; Kameneva, M. Yu.; Kozeeva, L. P.; Zhdanov, K. R.

    2017-10-01

    X-ray diffraction, electrical resistivity and thermal expansion measurements are used to study the interrelation between the structural, magnetic and electron-transport peculiarities in RBaCo2O5+x (R=Y, Gd) over a wide range of oxygen contents. We find that the anisotropic lattice strain caused by the oxygen chain ordering in these compounds favors the metallic state and is a necessary condition for the coupled insulator-to-metal and spin-state phase transitions to occur. The obtained data point to the key role of the crystal lattice in selecting the preferred spin and orbital states of cobalt ions.

  2. A phenomenological creep model for nickel-base single crystal superalloys at intermediate temperatures

    Science.gov (United States)

    Gao, Siwen; Wollgramm, Philip; Eggeler, Gunther; Ma, Anxin; Schreuer, Jürgen; Hartmaier, Alexander

    2018-07-01

    For the purpose of good reproduction and prediction of creep deformation of nickel-base single crystal superalloys at intermediate temperatures, a phenomenological creep model is developed, which accounts for the typical γ/γ‧ microstructure and the individual thermally activated elementary deformation processes in different phases. The internal stresses from γ/γ‧ lattice mismatch and deformation heterogeneity are introduced through an efficient method. The strain hardening, the Orowan stress, the softening effect due to dislocation climb along γ/γ‧ interfaces and the formation of dislocation ribbons, and the Kear–Wilsdorf-lock effect as key factors in the main flow rules are formulated properly. By taking the cube slip in \\{100\\} slip systems and \\{111\\} twinning mechanisms into account, the creep behavior for [110] and [111] loading directions are well captured. Without specific interaction and evolution of dislocations, the simulations of this model achieve a good agreement with experimental creep results and reproduce temperature, stress and crystallographic orientation dependences. It can also be used as the constitutive relation at material points in finite element calculations with complex boundary conditions in various components of superalloys to predict creep behavior and local stress distributions.

  3. On non local elasticity and its relation with lattice dynamics

    International Nuclear Information System (INIS)

    Idiodi, J.O.A.

    1984-11-01

    In this paper we have modelled a three-dimensional discrete lattice by a nonlocal continuum which possesses dispersive phonons. Previous efforts in the development of non-local theories appear not to have paid much attention to establishing actual contact with the nontrivial models frequently employed in lattice dynamics. As a first attempt in this direction, we present in this paper explicit results for the form of a non-local stress-tensor that describes exactly the lattice dynamical model of Gazis, Herman and Wallis. This model takes into account angular stiffness forces involving consecutive nearest neighbours forming a right angle at equilibrium. In addition, a general result for the surface eigenmodes of a semi-finite isotropic medium is derived. One of the justifications for this kind of study is the simpler approach it offers to the problems of interest in lattice dynamics. (author)

  4. Lattice location of Mn in GaAs and GaN

    CERN Document Server

    De Coster, Arnaud; Vantomme, André; Temst, Kristiaan

    The field of dilute magnetic semiconductors (DMS) has seen a lot of development in the past decades, both from a fundamental interest in the link between magnetic and conducting properties and with an eye to potential applications in computer technology. While the presence of semiconducting properties and magnetism in a given material is not out of the ordinary, DMS materials stand out because the charge carriers actually mediate between magnetic moments in the lattice, causing the ferromagnetic ordering. These magnetic moments and charge carriers are supplied by transition-metal (TM) dopants in a classic semiconductor. The location where these dopants are incorporated will determine if they will act as either an acceptor or donor and how they will couple to other magnetic moments. Hence, in order to achieve a better understanding of DMS, accurate knowledge of the lattice location the TM takes up in the crystal is vital. In this thesis the lattice location of Mn in GaAs and GaN is studied, two model materials...

  5. Determination of lattice parameters, strain state and composition in semipolar III-nitrides using high resolution X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Frentrup, Martin, E-mail: frentrup@physik.tu-berlin.de; Wernicke, Tim; Stellmach, Joachim; Kneissl, Michael [Institute of Solid State Physics, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Hatui, Nirupam; Bhattacharya, Arnab [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)

    2013-12-07

    In group-III-nitride heterostructures with semipolar or nonpolar crystal orientation, anisotropic lattice and thermal mismatch with the buffer or substrate lead to a complex distortion of the unit cells, e.g., by shearing of the lattice. This makes an accurate determination of lattice parameters, composition, and strain state under assumption of the hexagonal symmetry impossible. In this work, we present a procedure to accurately determine the lattice constants, strain state, and composition of semipolar heterostructures using high resolution X-ray diffraction. An analysis of the unit cell distortion shows that four independent lattice parameters are sufficient to describe this distortion. Assuming only small deviations from an ideal hexagonal structure, a linear expression for the interplanar distances d{sub hkl} is derived. It is used to determine the lattice parameters from high resolution X-ray diffraction 2ϑ-ω-scans of multiple on- and off-axis reflections via a weighted least-square fit. The strain and composition of ternary alloys are then evaluated by transforming the elastic parameters (using Hooke's law) from the natural crystal-fixed coordinate system to a layer-based system, given by the in-plane directions and the growth direction. We illustrate our procedure taking an example of (112{sup ¯}2) Al{sub κ}Ga{sub 1−κ}N epilayers with Al-contents over the entire composition range. We separately identify the in-plane and out-of-plane strains and discuss origins for the observed anisotropy.

  6. Comparable studies of magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices

    International Nuclear Information System (INIS)

    Masrour, R.; Jabar, A.; Benyoussef, A.; Hamedoun, M.

    2016-01-01

    In this work, we have studied and compared the magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices using the Monte Carlo simulations. The transition temperature of the two-dimensional decorated square and triangular lattices has been obtained. The effect of the exchange interactions and crystal field on the magnetization is investigated. The magnetic coercive field and saturation magnetization of the two-dimensional decorated square and triangular lattices have been obtained.

  7. Comparable studies of magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Jabar, A. [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Benyoussef, A. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-07-15

    In this work, we have studied and compared the magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices using the Monte Carlo simulations. The transition temperature of the two-dimensional decorated square and triangular lattices has been obtained. The effect of the exchange interactions and crystal field on the magnetization is investigated. The magnetic coercive field and saturation magnetization of the two-dimensional decorated square and triangular lattices have been obtained.

  8. Lattice QCD

    International Nuclear Information System (INIS)

    Hasenfratz, P.

    1983-01-01

    The author presents a general introduction to lattice gauge theories and discusses non-perturbative methods in the gauge sector. He then shows how the lattice works in obtaining the string tension in SU(2). Lattice QCD at finite physical temperature is discussed. Universality tests in SU(2) lattice QCD are presented. SU(3) pure gauge theory is briefly dealt with. Finally, fermions on the lattice are considered. (Auth.)

  9. Order, disorder and chaos in crystal lattice

    International Nuclear Information System (INIS)

    Oliveira, M.J. de; Salinas, S.R.A.

    1985-01-01

    The properties of two two-dimensional mappings corresponding to the solutions of spin models on a Cayley tree in infinite coordination limit are analised in detail. The models under consideration are related to some mechanisms which were proposed to explain the occurrence of modulated phases in magnetic crystals. The existence of devil's staircases characterized by fractal dimensionalities which increase with temperature is shown. Numerical evidences to support the existence of a strange attractor, of a fractal character, in the Ising model with competing interactions restricted to the branches of a Cayley tree are presented. The route to chaos agrees with the scenario of Feigenbaum. (Author) [pt

  10. Stress relaxation and activation volume at the yield point of cold worked and neutron irradiated copper single crystals

    International Nuclear Information System (INIS)

    Brunner, D.; Diehl, J.

    1979-01-01

    The effective activation volume of slip is studied after neutron irradiation in as-grown crystals as well as in predeformed ones by means of stress relaxation tests between 20 K and 200 K. The activation volume corresponding to the initial strain rate is found to be always higher in predeformed crystals than in as-grown ones. During stress relaxation the flow stress tau decreases linearly with ln(-dtau/dt) (indicating a constant activation volume) only in rare cases. Depending on predeformation and temperature several types of deviations from straight lines are observed: monotoneously bent curves, strong scattering of data points not fitting smooth curves or systematic deviations from straight lines at the beginning of relaxation. Accordingly the effective activation volumes and their dependences on stress seem to behave in a strange manner. By the aid of a previously proposed model for the deformation within the yield point elongation the results can be interpreted qualitatively by taking into account the inhomogeneity of slip and work hardening, allowing a more reliable judgement on the real activation volumes, on which a better understanding of the superposition of the two hardening mechanisms involved here can be based. (author)

  11. Effect of interface/surface stress on the elastic wave band structure of two-dimensional phononic crystals

    International Nuclear Information System (INIS)

    Liu, Wei; Chen, Jiwei; Liu, Yongquan; Su, Xianyue

    2012-01-01

    In the present Letter, the multiple scattering theory (MST) for calculating the elastic wave band structure of two-dimensional phononic crystals (PCs) is extended to include the interface/surface stress effect at the nanoscale. The interface/surface elasticity theory is employed to describe the nonclassical boundary conditions at the interface/surface and the elastic Mie scattering matrix embodying the interface/surface stress effect is derived. Using this extended MST, the authors investigate the interface/surface stress effect on the elastic wave band structure of two-dimensional PCs, which is demonstrated to be significant when the characteristic size reduces to nanometers. -- Highlights: ► Multiple scattering theory including the interface/surface stress effect. ► Interface/surface elasticity theory to describe the nonclassical boundary conditions. ► Elastic Mie scattering matrix embodying the interface/surface stress effect. ► Interface/surface stress effect would be significant at the nanoscale.

  12. Effects of Cr 3+ impurity concentration on the crystallography of synthetic emerald crystals

    Science.gov (United States)

    Lee, Pei-Lun; Huang, Eugene; Lee, Jan-Shing; Yu, Shu-Cheng

    2011-06-01

    Flux method has been adopted for the synthesis of emerald crystals using PbO-V 2O 5 as a flux in order to study the crystallography of the synthetic crystals. In general, the hue of green color of emerald deepens with the addition of Cr 3+. The molar volume of the synthesized crystals was found to increase with the incorporation of Cr 2O 3 dopant. The substitution of Cr 3+ for Al 3+ in the octahedral sites of beryl results in the expansion of a-axis, while c-axis remains nearly unchanged. The maximum Cr 2O 3-content allowed in the crystal lattice of emerald has been found to be about 3.5 wt%. When the doping Cr 2O 3-content exceeds 3.5 wt%, a significant anomaly in lattice parameters starts to take place, accompanying the precipitation of an unknown phase in the emerald matrix.

  13. Discussion on the installation checking method of precast composite floor slab with lattice girders

    Science.gov (United States)

    Chen, Li; Jin, Xing; Wang, Yahui; Zhou, Hele; Gu, Jianing

    2018-03-01

    Based on the installation checking requirements of China’s current standards and the international norms for prefabricated structural precast components, it proposed an installation checking method for precast composite floor slab with lattice girders. By taking an equivalent composite beam consisted of a single lattice girder and the precast concrete slab as the checking object, compression instability stress of upper chords and yield stress of slab distribution reinforcement at the maximum positive moment, tensile yield stress of upper chords, slab normal section normal compression stress and shear instability stress of diagonal bars at the maximum negative moment were checked. And the bending stress and deflection of support beams, strength and compression stability bearing capacity of the vertical support, shear bearing capacity of the bolt and compression bearing capacity of steel tube wall at the bolt were checked at the same time. Every different checking object was given a specific load value and load combination. Application of installation checking method was given and testified by example.

  14. Combined ion beam and hyperfine interaction studies of LiNbO3 single crystals

    International Nuclear Information System (INIS)

    Marques, J.G.; Kling, A.; Soares, J.C.; Rebouta, L.

    1999-01-01

    A review of recent studies of LiNbO 3 crystals doped with Hf and Mg,Hf combining high precision RBS/channelling, PIXE/channelling and hyperfine interaction techniques is presented. The lattice location of Hf was found to depend strongly on the dopant concentration, crystal stoichiometry and Mg co-doping level. At low concentrations Hf occupies Li sites in congruent crystals, while it occupies both Li and Nb sites for higher doping levels or in near-stoichiometric crystals. Co-doping with Mg also forces a split location of Hf in Li and Nb sites and when the MgO amount exceeds 4.5 mol% Hf occupies only Nb sites. Neutron irradiation of these crystals displaces Hf from its initial lattice site and leads to a strong decrease of the Nb site fraction. The results are discussed in the framework of the Li and Nb vacancy models currently proposed in the literature for the defect structure of LiNbO 3 . (author)

  15. Investigation of the crystal lattice defects by means of the positrons annihilations

    International Nuclear Information System (INIS)

    Dryzek, J.

    1994-01-01

    In this report the positrons annihilation methods as a tool for the crystal defects studies is presented. The short description of the positron - crystal interactions and different positron capture models are discussed. 192 refs, 67 figs, 6 tabs

  16. Lattice site of helium implanted in Si and diamond

    International Nuclear Information System (INIS)

    Allen, W.R.

    1993-01-01

    Single crystals of silicon and diamond were implanted at 300K with 70 keV 3 He. Ion channeling analyses were executed by application of Rutherford backscattering spectrometry and nuclear reaction analysis. Helium exhibits a non-random lattice site in the channeling angular distributions for silicon and diamond. A major fraction of the implanted He was qualitatively identified to be near to the tetrahedral interstice in both materials

  17. The edition of a personal computer program for determining lattice constants and its application in materials for storage of hydrogen

    International Nuclear Information System (INIS)

    Chen Yongzhong; Bai Chaomao; Lang Dingmu; Zhang Youshou

    1998-01-01

    The equations for finding lattice constants of the 7 crystal systems were completely deduced using the M.U.Cohen least square method. From the deduction process it is obvious that the equation forms had nothing to do with the extrapolation functions so any of them can be used. (But in practice, cos 2 θ and cos 2 θ(1/sinθ + 1/θ) were generally performed.) After a personal computer program was finished using above mathematic model, the lattice constants of materials for storage of hydrogen ZrCo and LaNi 5-x M x (M = Mn, Al) were determined. The results showed that the program is very good for finding lattice parameters and can be used in the 7 crystal systems. The results also showed to the LaNi 5 alloy its lattice constants increase when the elements (such as Mn, Al, etc.) whose atomic radii are larger than that of Ni are substituted for Ni and when the content of the same substitutional element Al goes up. This phenomenon is in accordance with the theory

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-11-19

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

  19. Lattice thermal expansion and solubility limits of neodymium-doped ceria

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jinhua, E-mail: jhzhang1212@126.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074 (China); Ke, Changming [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Wu, Hongdan [College of Resources and Enviromental Engineering, Wuhan University of Science and Technology, Wuhan 430081 (China); Yu, Jishun [State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074 (China); Wang, Jingran [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China)

    2016-11-15

    Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd{sup 3+}, and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are higher than 13.5×10{sup −6} °C{sup −1} from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.

  20. Interaction of vortex lattice with ultrasound and the acoustic Faraday effect

    International Nuclear Information System (INIS)

    Dominguez, D.; Bulaevskii, L.; Ivlev, B.; Maley, M.; Bishop, A.R.

    1995-01-01

    The interaction of sound with the vortex lattice is considered for high-T c superconductors, taking into account pinning and electrodynamic forces between vortices and crystal displacements. At low temperatures the Magnus force results in the acoustic Faraday effect; the velocity of sound propagating along the magnetic field depends on the polarization. This effect is linear in the Magnus force and magnetic field in crystals with equivalent a and b axes for a field parallel to the c axis. In the thermally activated flux flow regime, the Faraday effect is caused by electric and magnetic fields induced by vortices and acting on ions

  1. Structure Transformation and Coherent Interface in Large Lattice-Mismatched Nanoscale Multilayers

    Directory of Open Access Journals (Sweden)

    J. Y. Xie

    2013-01-01

    Full Text Available Nanoscale Al/W multilayers were fabricated by DC magnetron sputtering and characterized by transmission electron microscopy and high-resolution electron microscopy. Despite the large lattice mismatch and significantly different lattice structures between Al and W, a structural transition from face-centered cubic to body-centered cubic in Al layers was observed when the individual layer thickness was reduced from 5 nm to 1 nm, forming coherent Al/W interfaces. For potential mechanisms underlying the observed structure transition and forming of coherent interfaces, it was suggested that the reduction of interfacial energy and high stresses induced by large lattice-mismatch play a crucial role.

  2. 'Ionic crystals' consisting of trinuclear macrocations and ...

    Indian Academy of Sciences (India)

    T Arumuganathan

    )(ClCH2COO)6(H2O)3]4. [SiW12O40] ... solid state properties to obtain new materials in appli- ... Reflections Collected/unique ... covalent bonds in the relevant crystal lattice having ...... the relevant parameters are given in Tables 5 and 6,.

  3. Stress distribution and lattice distortions in Nb3Sn multifilament wires under uniaxial tensile loading at 4.2 K

    International Nuclear Information System (INIS)

    Scheuerlein, C; Flükiger, R; Kadar, J; Bordini, B; Ballarino, A; Bottura, L; Di Michiel, M; Buta, F; Seeber, B; Senatore, C; Siegrist, T; Besara, T

    2014-01-01

    The lattice parameter changes in three types of Nb 3 Sn superconducting wires during uniaxial stress–strain measurements at 4.2 K have been measured by high-energy synchrotron x-ray diffraction. The nearly-stress-free Nb 3 Sn lattice parameter has been determined using extracted filaments, and the elastic strain in the axial and transverse wire directions in the different wire phases has been calculated. The mechanical properties of the PIT and RRP wire are mainly determined by the properties of Nb 3 Sn and unreacted Nb. This is in contrast to the bronze route wire, where the matrix can carry substantial loads. In straight wires the axial Nb 3 Sn pre-strain is strongest in the bronze route wire, its value being smaller in the PIT and RRP wires. A strong reduction of the non-Cu elastic modulus of about 30% is observed during cool-down from ambient temperature to 4.2 K. The Nb 3 Sn Poisson ratio at 4.2 K measured in the untwisted bronze route wire is 0.35. The present study also shows that the process route has a strong influence on the Nb 3 Sn texture. (paper)

  4. Effect of ion nitriding on the crystal structure of 3 mol% Y2O3-doped ZrO2 thin-films prepared by the sol-gel method

    International Nuclear Information System (INIS)

    Ortiz, A.L.; Diaz-Parralejo, A.; Borrero-Lopez, O.; Guiberteau, F.

    2006-01-01

    We investigated the effect of ion nitriding on the crystal structure of 3 mol% Y 2 O 3 -doped ZrO 2 (3YSZ) thin-films prepared by the sol-gel method. For this purpose, we used X-ray diffractometry to determine the crystalline phases, the lattice parameters, the crystal sizes, and the lattice microstrains, and glow discharge-optical emission spectroscopy to obtain the depth profiles of the elemental chemical composition. We found that nitrogen atoms substitute oxygen atoms in the 3YSZ crystal, thus leading to the formation of unsaturated-substitutional solid solutions with reduced lattice parameters and Zr 0.94 Y 0.06 O 1.72 N 0.17 stoichiometric formula. We also found that ion nitriding does not affect the grain size, but does generate lattice microstrains due to the increase in point defects in the crystalline lattice

  5. 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)

  6. Kinetic coefficients in isotopically disordered crystals

    International Nuclear Information System (INIS)

    Zhernov, Arkadii P; Inyushkin, Alexander V

    2002-01-01

    Peculiarities of the behavior of kinetic coefficients, like thermal conductivity, electric conductivity, and thermoelectric power, in isotopically disordered materials are reviewed in detail. New experimental and theoretical results on the isotope effects in the thermal conductivity of diamond, Ge, and Si semiconductors are presented. The suppression effect of phonon-drag thermopower in the isotopically disordered Ge crystals is discussed. The influence of dynamic and static crystal lattice deformations on the electric conductivity of metals as well as on the ordinary phonon spectrum deformations is considered. (reviews of topical problems)

  7. High resolution diffraction imaging of mercuric iodide: Demonstration of the necessity for alternate crystal processing techniques for highly purified material

    International Nuclear Information System (INIS)

    Steiner, B.; Berg, L. van den; Laor, U.

    1995-01-01

    The overall crystalline lattice uniformity in recently available, highly purified mercuric iodide single crystals has been shown to be impacted by crystal handling techniques that were previously satisfactory. High resolution diffraction imaging of the surface regularity of crystals of various levels of purity and growth orientation shows: (1) that the newer materials have a generally lower level of precipitates, (2) that the incidence of these precipitates is now closely correlated with growth direction, and (3) that the deformation resistance and resulting sensitivity to crystal handling procedures are also closely correlated with these factors in this soft material. As a result, gentler cutting and polishing procedures have been developed and are shown to be effective in preserving overall lattice regularity in the new material. The polishing required to remove residual surface scratches affect the lattice orientation of the softer, precipitate-free regions, while not affecting those regions with detectable levels of precipitates. These results correlate closely with the electrical properties of devices made from these crystals. Mercuric iodide single crystals have proved to be particularly useful for x and γ ray detectors because their room temperature operation allow for simple, efficient, and compact instrumentation

  8. Modeling of stresses and electric fields in piezoelectric multilayer: Application to multi quantum wells

    Directory of Open Access Journals (Sweden)

    Dhaneshwar Mishra

    2017-07-01

    Full Text Available Exact closed-form expressions have been derived for the stresses and the electric fields induced in piezoelectric multilayers deposited on a substrate with lattice misfit and thermal expansion coefficient mismatch. The derived formulations can model any number of layers using recursive relations that minimize the computation time. A proper rotation matrix has been utilized to generalize the expressions so that they can be used for various growth orientations with each layer having hexagonal crystal symmetry. As an example, the influence of lattice misfit and thermal expansion coefficient mismatch on the state of electroelastic fields in different layers of GaN multi quantum wells has been examined. A comparison with the finite element analysis results showed very close agreement. The analytical expressions developed herein will be useful in designing optoelectronic devices as well as in predicting defect density in multi quantum wells.

  9. High-Q microwave resonators with a photonic crystal structure

    International Nuclear Information System (INIS)

    Schuster, M.

    2001-08-01

    The localisation of electromagnetic energy at a defect in a photonic crystal is similar to a well known effect employed to construct high-Q microwave resonators: In a whispering gallery (WHG-) mode resonator the high Q-factor is achieved by localisation of the electromagnetic field energy by total reflection inside a disk made of dielectric material. The topic of this work is to demonstrate, that WHG-like modes can exist in an air defect in a photonic crystal that extends over several lattice periods; and that a high-Q microwave resonator can be made, utilizing these resonant modes. In numerical simulations, the transmission properties of a photonic crystal structure with hexagonal lattice symmetry have been investigated with a transfer-matrix-method. The eigenmodes of a defect structure in a photonic crystal have been calculated with a quasi-3d finite element integration technique. Experimental results confirm the simulated transmission properties and show the existence of modes inside the band gap, when a defect is introduced in the crystal. Resonator measurements show that a microwave resonator can be operated with those defect modes. It was found out that the main losses of the resonator were caused by bad microwave properties of the used dielectric material and by metal losses on the top and bottom resonator walls. Furthermore, it turned out that the detection of the photonic crystal defect mode was difficult because of a lack of simulation possibilities and high housing mode density in the resonator. (orig.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-23

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

  11. Magnetic small-angle scattering of subthermal neutrons by internal stress fields in work-hardened nickel single crystals oriented for multiple glide

    International Nuclear Information System (INIS)

    Vorbrugg, W.; Schaerpf, O.

    1975-01-01

    The small-angle scattering of Ni single crystals with (111) and (100) axis orientation is measured by a photographic method in the work-hardened state after tensile deformation. Parameters are the external magnetic field H parallel to the axis (600 2 ]<=8,8), and the elastic stress tausub(el)(0<=tausub(el)<=tausub(pl)) applied to the deformed crystals during the experiments. The scattering is found to be anisotropic and characteristic for the chosen orientation. The quantitative photometric analysis shows that the parameters mentioned above only influence the intensity but not the distribution of the scattered neutrons. The scattering increases with the elastic stress and decreases with the magnetic field. In particular, in the unloaded state there is a linear relation between the scattered intensity and the plastic shear stress. (author)

  12. Stress-dependent crystal structure of lanthanum strontium cobalt ferrite by in situ synchrotron X-ray diffraction

    Science.gov (United States)

    Geiger, Philipp T.; Khansur, Neamul H.; Riess, Kevin; Martin, Alexander; Hinterstein, Manuel; Webber, Kyle G.

    2018-02-01

    Lanthanum strontium cobalt ferrite La1-xSrxCo1-yFeyO3-δ (LSCF) is one of the most studied mixed ionic-electronic conductor materials due to electrical and transport properties, which are attractive for intermediate temperature solid oxide fuel cells (SOFCs), oxygen permeation membranes, and catalysis. The integration of such materials, however, depends on the thermal as well as mechanical behavior. LSCF exhibits nonlinear hysteresis during compressive stress-strain measurements, marked by a remanent strain and coercive stress, i.e., ferroelasticity. However, the origin of ferroelastic behavior has not been investigated under high compressive stress. This study, therefore, investigates the microscopic origin of stress-induced mechanical behavior in polycrystalline (La0.6Sr0.4)0.95Co0.2Fe0.8O3-δ using in situ synchrotron x-ray diffraction. The data presented here reveals that the strain response originates from the intrinsic lattice strain as well as the extrinsic domain switching strain without any apparent change in crystallographic symmetry. A comparison of the calculated microscopic strain contribution with that of a macroscopic measurement indicates a significant change in the relative contributions of intrinsic and extrinsic strain depending on the applied stress state, i.e., under maximum stress and after unloading. Direct evidence of the microscopic origin of stress-strain response outlined in this paper may assist in guiding materials design with the improved mechanical reliability of SOFCs.

  13. Fluorescence lifetime of emitters with broad homogeneous linewidths modified in opal photonic crystals

    DEFF Research Database (Denmark)

    Nikolaev, Ivan S.; Lodahl, Peter; Vos, Willem L.

    2008-01-01

    We have investigated the dynamics of spontaneous emission from dye molecules embedded in opal photonic crystals. Fluorescence lifetimes of Rhodamine 6G (R6G) dye were measured as a function of both optical frequency and crystal lattice parameter of the polystyrene opals. Due to the broad...

  14. Degenerate Ising model for atomistic simulation of crystal-melt interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Schulze, T. P., E-mail: schulze@math.utk.edu [Department of Mathematics, University of Tennessee, Knoxville, Tennessee 37996-1300 (United States); Hendy, S. C. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6140 (New Zealand); Department of Physics, University of Auckland, Auckland 1010 (New Zealand)

    2014-02-21

    One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

  15. Degenerate Ising model for atomistic simulation of crystal-melt interfaces

    International Nuclear Information System (INIS)

    Schebarchov, D.; Schulze, T. P.; Hendy, S. C.

    2014-01-01

    One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level

  16. Dual curved photonic crystal ring resonator based channel drop filter using two-dimensional photonic crystal structure

    Energy Technology Data Exchange (ETDEWEB)

    Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com [Deptt. of Electronics and Communication Engineering, Government Engineering College Ajmer Rajasthan INDIA (India); Dusad, Lalit Kumar [Rajasthan Technical University Kota, Rajasthan (India)

    2016-05-06

    In this paper channel drop filter (CDF) is designed using dual curved photonic crystal ring resonator (PCRR). The photonic band gap (PBG) is calculated by plane wave expansion (PWE) method and the photonic crystal (PhC) based on two dimensional (2D) square lattice periodic arrays of silicon (Si) rods in air structure have been investigated using finite difference time domain (FDTD) method. The number of rods in Z and X directions is 21 and 20 respectively with lattice constant 0.540 nm and rod radius r = 0.1 µm. The channel drop filter has been optimized for telecommunication wavelengths λ = 1.591 µm with refractive indices 3.533. In the designed structure further analysis is also done by changing whole rods refractive index and it has been observed that this filter may be used for filtering several other channels also. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.

  17. Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering.

    Science.gov (United States)

    Williams, G Jackson; Lee, Sooheyong; Walko, Donald A; Watson, Michael A; Jo, Wonhuyk; Lee, Dong Ryeol; Landahl, Eric C

    2016-12-22

    Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of the crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.

  18. Pair Interaction of Dislocations in Two-Dimensional Crystals

    Science.gov (United States)

    Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.

    2005-10-01

    The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.

  19. Crystallization and preliminary X-ray analysis of the stress-response PPM phosphatase RsbX from Bacillus subtilis

    International Nuclear Information System (INIS)

    Suganuma, Masatoshi; Teh, Aik Hong; Makino, Masatomo; Shimizu, Nobutaka; Kaneko, Tomonori; Hirata, Kunio; Yamamoto, Masaki; Kumasaka, Takashi

    2009-01-01

    The bacterial PPM phosphatase RsbX from B. subtilis was expressed in E. coli, purified and crystallized. The crystal belonged to space group P1 and diffracted to 1.06 Å resolution. RsbX from Bacillus subtilis is a manganese-dependent PPM phosphatase and negatively regulates the signal transduction of the general stress response by the dephosphorylation of RsbS and RsbR, which are activators of the alternative RNA polymerase σ factor SigB. In order to elucidate the structural–functional relationship of its Ser/Thr protein-phosphorylation mechanism, an X-ray crystallographic diffraction study of RsbX was performed. Recombinant RsbX was expressed in Escherichia coli, purified and crystallized. Crystals were obtained using the sitting-drop vapour-diffusion method and X-ray diffraction data were collected to 1.06 Å resolution with an R merge of 8.1%. The crystals belonged to the triclinic space group P1, with unit-cell parameters a = 33.3, b = 41.7, c = 68.6 Å, α = 98.8, β = 90.0, γ = 108.4°

  20. Lattice-induced nonadiabatic frequency shifts in optical lattice clocks

    International Nuclear Information System (INIS)

    Beloy, K.

    2010-01-01

    We consider the frequency shift in optical lattice clocks which arises from the coupling of the electronic motion to the atomic motion within the lattice. For the simplest of three-dimensional lattice geometries this coupling is shown to affect only clocks based on blue-detuned lattices. We have estimated the size of this shift for the prospective strontium lattice clock operating at the 390-nm blue-detuned magic wavelength. The resulting fractional frequency shift is found to be on the order of 10 -18 and is largely overshadowed by the electric quadrupole shift. For lattice clocks based on more complex geometries or other atomic systems, this shift could potentially be a limiting factor in clock accuracy.

  1. Dispersive photonic crystals from the plane wave method

    Energy Technology Data Exchange (ETDEWEB)

    Guevara-Cabrera, E.; Palomino-Ovando, M.A. [Facultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Apdo. Post. 165, Puebla, Pue. 72000, México (Mexico); Flores-Desirena, B., E-mail: bflores@fcfm.buap.mx [Facultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Apdo. Post. 165, Puebla, Pue. 72000, México (Mexico); Gaspar-Armenta, J.A. [Departamento de Investigación en Física de la Universidad de Sonora Apdo, Post 5-088, Hermosillo Sonora 83190, México (Mexico)

    2016-03-01

    Nowadays photonic crystals are widely used in many different applications. One of the most used methods to compute their band structure is the plane wave method (PWM). However, it can only be applied directly to non-dispersive media and be extended to systems with a few model dielectric functions. We explore an extension of the PWM to photonic crystals containing dispersive materials, that solves an eigenvalue equation for the Bloch wave vectors. First we compare our calculation with analytical results for one dimensional photonic crystals containing Si using experimental values of its optical parameters, and obtainig very well agreement, even for the spectrum region with strong absorption. Then, using the same method, we computed the band structure for a two dimensional photonic crystal without absorption, formed by an square array of MgO cylinders in air. The optical parameters for MgO were modeled with the Lorentz dielectric function. Finally, we studied an array of MgO cylinders in a metal, using Drude model without absorption, for the metal dielectric function. For this last case, we study the gap–midgap ratio as a function of the filling fraction for both the square and triangular lattice. The gap–midgap ratio is larger for the triangular lattice, with a maximum value of 10% for a filling fraction of 0.6. Our results show that the method can be applied to dispersive materials, and then to a wide range of applications where photonic crystals can be used.

  2. A unified picture of the crystal structures of metals

    Science.gov (United States)

    Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

    1995-04-01

    THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

  3. A unified picture of the crystal structures of metals

    International Nuclear Information System (INIS)

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

    1995-01-01

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

  4. Synthesis and structural characterization of Na 2 MnP 2 O 7 crystal

    Indian Academy of Sciences (India)

    Na2MnP2O7 crystals were synthesized by hydrothermal technique. Crystals obtained are in the form of single crystals of rhombohedral morphology with lattice parameters as follows: triclinic, 1 ¯ , = 0.71069 Å, = 6.657(3) Å, = 6.714(6) Å, = 6.518(4) Å, = 112.31(6)°, = 92.14(4)°, = 83.89(5)°, = 268.0(3) Å3, ...

  5. Lattice strains in gold and rhenium under nonhydrostatic compression to 37 GPa

    International Nuclear Information System (INIS)

    Duffy, Thomas S.; Shen, Guoyin; Heinz, Dion L.; Shu, Jinfu; Ma, Yanzhang; Mao, Ho-Kwang; Hemley, Russell J.; Singh, Anil K.

    1999-01-01

    Using energy-dispersive x-ray diffraction techniques together with the theory describing lattice strains under nonhydrostatic compression, the behavior of a layered sample of gold and rhenium has been studied at pressures of 14-37 GPa. For gold, the uniaxial stress component t is consistent with earlier studies and can be described by t=0.06+0.015P where P is the pressure in GPa. The estimated single-crystal elastic moduli are in reasonable agreement with trends based on extrapolated low-pressure data. The degree of elastic anisotropy increases as α, the parameter which characterizes stress-strain continuity across grain boundaries, is reduced from 1.0 to 0.5. For rhenium, the apparent equation of state has been shown to be strongly influenced by nonhydrostatic compression, as evidenced by its dependence on the angle ψ between the diffracting plane normal and the stress axis. The bulk modulus obtained by inversion of nonhydrostatic compression data can differ by nearly a factor of 2 at angles of 0 degree sign and 90 degree sign . On the other hand, by a proper choice of ψ, d spacings corresponding to quasihydrostatic compression can be obtained from data obtained under highly nonhydrostatic conditions. The uniaxial stress in rhenium over the pressure range from 14-37 GPa can be described by t=2.5+0.09P. The large discrepancy between x-ray elastic moduli and ultrasonic data and theoretical calculations indicates that additional factors such as texturing or orientation dependence of t need to be incorporated to more fully describe the strain distribution in hexagonal-close-packed metals. (c) 1999 The American Physical Society

  6. Crystal growth and mechanical hardness of In{sub 2}Se{sub 2.7}Sb{sub 0.3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Piyush, E-mail: piyush-patel130@yahoo.com; Vyas, S. M., E-mail: s-m-vyas-gu@hotmail.com; Patel, Vimal; Pavagadhi, Himanshu [Department of Physics, School of Science, Gujarat University, Ahmedabad, Gujarat, India-380009 (India); Solanki, Mitesh [panditdindayal Petroleum University, Gandhinagar. Gujarat (India); Jani, Maunik P. [BITS Edu Campus, Varnama, Vadodara, Gujarat (India)

    2015-08-28

    The III-VI compound semiconductors is important for the fabrication of ionizing radiation detectors, solid-state electrodes, and photosensitive heterostructures, solar cell and ionic batteries. In this paper, In{sub 2}Se{sub 2.7} Sb{sub 0.3} single crystals were grown by the Bridgman method with temperature gradient of 60 °C/cm and the growth velocity 0.5cm/hr. The as-grown crystals were examined under the optical microscope for surface study, a various growth features observed on top free surface of the single crystal which is predominant of layers growth mechanism. The lattice parameters of as-grown crystal was determined by the XRD analysis. A Vickers’ projection microscope were used for the study of microhardness on the as-cleaved, cold-worked and annealed samples of the crystals, the results were discussed, and reported in detail.

  7. Crystal quality analysis and improvement using x-ray topography

    International Nuclear Information System (INIS)

    Maj, J.; Goetze, K.; Macrander, A.; Zhong, Y.; Huang, X.; Maj, L.

    2008-01-01

    The Topography X-ray Laboratory of the Advanced Photon Source (APS) at Argonne National Laboratory operates as a collaborative effort with APS users to produce high performance crystals for APS X-ray beamline experiments. For many years the topography laboratory has worked closely with an on-site optics shop to help ensure the production of crystals with the highest quality, most stress-free surface finish possible. It has been instrumental in evaluating and refining methods used to produce high quality crystals. Topographical analysis has shown to be an effective method to quantify and determine the distribution of stresses, to help identify methods that would mitigate the stresses and improve the Rocking curve, and to create CCD images of the crystal. This paper describes the topography process and offers methods for reducing crystal stresses in order to substantially improve the crystal optics.

  8. Resonant Coulomb excitation of atomic nuclei propagating through a crystal in the channeling mode

    International Nuclear Information System (INIS)

    Stepanov, A.V.

    1996-01-01

    The Coulomb-excitation total cross section and the distribution of decay products originating from a resonant state of a nucleus interacting with a crystal lattice has been calculated for the case of a single inelastic collision (with respect to internal degrees of freedom in a nucleus). These observables have been expressed in terms of time-dependent correlators which describe thermal oscillations of lattice nuclei and the motion of the center of mass of a nucleus propagating across a crystal target in the channelling mode. An expression generalizing the spectrum of equivalent photons calculated by the Weizsaecker-Williams method is given

  9. Kinetics of the stress induced phase transition in quartz by real-time neutron scattering

    International Nuclear Information System (INIS)

    Gibhardt, H.; Eckold, G.; Guethoff, F.

    1999-01-01

    Complete text of publication follows. The stability regime of the incommensurate phase of quartz is influenced by uniaxial stress. Hence, the phase transition can be induced under isothermal conditions by the application of external mechanical forces. Using real-time neutron scattering the time evolution of structural changes is investigated id detail during stress variations. The time dependent behaviour of the satellite reflection is compared with that one of the fundamental Bragg reflection which - via primary extinction - gives information about the perfection of the crystal. On increasing stress the perfection of the lattice is destroyed immediately while the modulated structure is built up with a delay of about 1 s. Decreasing the stress leads to a reverse behaviour. Moreover, there is evidence that under periodical load residual non-relaxed strain fields survive leading to a different temperature dependence as compared to static conditions. This finding is compatible with pronounced hysteresis effects observed under cycling stress. It is argued that these residual strains are associated with non-relaxed topological 4-line defects, that drive the structural changes in quartz (1). (author)

  10. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    International Nuclear Information System (INIS)

    Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

    2008-01-01

    A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

  11. Single crystals of the anisotropic Kagome staircase compounds Ni3V2O8 and Co3V2O8

    OpenAIRE

    Balakrishnan, G.; Petrenko, O. A.; Lees, M. R.; Paul, D. McK.

    2004-01-01

    Compounds with a Kagome type lattice are known to exhibit magnetic frustration. Large single crystals of two compounds Ni3V2O8 and Co3V2O8, which are variants of a Kagome net lattice, have been grown successfully by the floating zone technique using an optical image furnace. The single crystals are of high quality and exhibit intriguing magnetic properties.

  12. A more clear insight of the lysozyme crystal composition

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, C.; Ulrich, J. [Martin-Luther-Universitaet Halle-Wittenberg, Zentrum fuer Ingenieurswissenschaften, Verfahrenstechnik/TVT, 06099 Halle Saale (Germany)

    2011-07-15

    Crystallization can be used as a purification method for proteins. Lysozyme was chosen as a model substance. Changing crystallization conditions will lead as shown to different lysozyme crystal morphologies with different properties. Beside others, lysozyme crystals can show a Tetragonal, High Temperature and Low Temperature Orthorhombic crystal morphology. Experiments such as conductivity measurements, pH tests, chloride detection tests, experiments using methylene blue as a dye and dissolution experiments were carried out to investigate the composition of the lysozyme crystals. It is proven that lysozyme crystals are made up of the initial buffer solution components: lysozyme (the protein), water which is part of the crystal lattice, salt ions which are attached to the protein molecule and voids filled with the buffer solution containing the crystallization agent (e.g. salt). Interesting dissolution behaviours of the lysozyme crystals were observed which are not described so far elsewhere (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Single Crystals Grown Under Unconstrained Conditions

    Science.gov (United States)

    Sunagawa, Ichiro

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

  14. Ultrastructural studies of synthetic apatite crystals.

    Science.gov (United States)

    Arends, J; Jongebloed, W L

    1979-03-01

    In this paper a survey is given of some ultrastructural properties of synthetic hydroxyapatite. The preparation method by which single crystals with a length in the range of 0.1-3.0mm and a defined purity and stoïchiometry can be produced is given. Two groups of materials are considered in detail: carbonate-rich (greater than 0.1% CO3) and low-carbonate hydroxyapatites. The experiments on carbonate-rich material, being the most interesting from a biological point of view, show that acids attack at an active site in the hexagonal basal-plane of the crystals. Later on the crystals dissolve in the center of the crystal parallel to the c-axis forming tube-like structures. The active site can be protected from dissolution if the crystals are pretreated by EHDP or MFP. A comparison with lattice defect theory shows that most likely dislocations of the "hollow-core" type are responsible for the preferential dissolution.

  15. Three-dimensional Random Voronoi Tessellations: From Cubic Crystal Lattices to Poisson Point Processes

    OpenAIRE

    Lucarini, Valerio

    2008-01-01

    We perturb the SC, BCC, and FCC crystal structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter a, and analyze the topological and metrical properties of the resulting Voronoi Tessellations (VT). The topological properties of the VT of the SC and FCC crystals are unstable with respect to the introduction of noise, because the corresponding polyhedra are geometrically degenerate, whereas the tessellation of the BCC crystal is topologically stable eve...

  16. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Kaoru; Yamamoto, Satoshi [Shimane Univ., Faculty of Science and Engineering, Matsue, Shimane (Japan); Morikawa, Kimihiko [Hokkaido Univ., Institute for Low Temperature Science, Sapporo, Hokkaido (Japan); Kuga, Masanori [Kanazawa Univ., Faculty of Science, Kanazawa, Ishikawa (Japan); Okamoto, Hiroyuki [Kanazawa Univ., Faculty of Medicine, Kanazawa, Ishikawa (Japan); Hashimoto, Eiji [Hiroshima Univ., Hiroshima Synchrotron Radiation Center, Higashi-Hiroshima, Hiroshima (Japan)

    2004-05-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  17. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    International Nuclear Information System (INIS)

    Mizuno, Kaoru; Yamamoto, Satoshi; Morikawa, Kimihiko; Kuga, Masanori; Okamoto, Hiroyuki; Hashimoto, Eiji

    2004-01-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  18. Lattice strings

    International Nuclear Information System (INIS)

    Thorn, C.B.

    1988-01-01

    The possibility of studying non-perturbative effects in string theory using a world sheet lattice is discussed. The light-cone lattice string model of Giles and Thorn is studied numerically to assess the accuracy of ''coarse lattice'' approximations. For free strings a 5 by 15 lattice seems sufficient to obtain better than 10% accuracy for the bosonic string tachyon mass squared. In addition a crude lattice model simulating string like interactions is studied to find out how easily a coarse lattice calculation can pick out effects such as bound states which would qualitatively alter the spectrum of the free theory. The role of the critical dimension in obtaining a finite continuum limit is discussed. Instead of the ''gaussian'' lattice model one could use one of the vertex models, whose continuum limit is the same as a gaussian model on a torus of any radius. Indeed, any critical 2 dimensional statistical system will have a stringy continuum limit in the absence of string interactions. 8 refs., 1 fig. , 9 tabs

  19. Calorimetric features of release of plastic deformation induced internal stresses, and approach to equilibrium state on annealing of crystals and glasses

    Energy Technology Data Exchange (ETDEWEB)

    Johari, G.P., E-mail: joharig@mcmaster.ca

    2014-04-01

    Highlights: • Stress release in a glass occurs at a faster rate than structural relaxation. • Plastically-deformed glass would show two exothermic minima, and no glass transition. • Enthalpy matching procedure would yield an inaccurate fictive temperature. • Complex heat capacity may distinguish plastically-deformed from quench-formed glass. - Abstract: Plastic deformation of crystals and glasses produces internal strains (stresses), which change their energy and other thermodynamic properties. On annealing, these stresses decrease at a rate faster than the structure relaxes toward the equilibrium state. Mechanism of such relaxations in crystals differs from that in glasses and it also differs for glasses of different types. In all cases, the energy related properties decrease with time isothermally and on heating, resembling the structure relaxation of a stress-free glass. We consider these features and argue that kinetics of enthalpy loss with time yields the rate constants of the stress release and of the structure change, and not the viscosity determining α-relaxation time. Since thermal cycling does not recover the enthalpy from internal stresses, a glass with stresses has neither a glass-softening temperature, T{sub g}, nor a fictive temperature, T{sub f}. Plastic deformation would not rejuvenate a physically aged glass to the properties of its un-aged state. The Prigogine–Defay ratio can be extended to all T{sub f}s, and used to investigate the effect of distribution of relaxation times on its value, but it can not be defined for an internally stressed glass. After discussing the effects of annealing on the heat capacity and DSC scans, we conclude that on slow heating, glass with deformation-induced stresses would show two exothermic minima, and normal glass would show only one such minimum. Temperature-modulated scanning calorimetry would also distinguish an internally stressed glass from an equally high-enthalpy, stress-free glass. Enthalpy

  20. Effect of crystal structure on optical properties of sol–gel derived zirconia thin films

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaodong, E-mail: xiaodong_wang@tongji.edu.cn [Pohl Institute of Solid State Physics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, Tongji University, Shanghai 200092 (China); Wu, Guangming; Zhou, Bin [Pohl Institute of Solid State Physics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, Tongji University, Shanghai 200092 (China); Shen, Jun, E-mail: shenjun67@tongji.edu.cn [Pohl Institute of Solid State Physics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, Tongji University, Shanghai 200092 (China)

    2013-04-15

    Highlights: ► ZrO{sub 2} films were deposited by sol–gel method. ► Crystal structures of the films were tuned by different thermal annealing methods. ► The refractive indices vary with the crystal structures of the films. ► Lattice-mismatch was found to reduce the refractive index of ZrO{sub 2} films. -- Abstract: The optical properties of sol–gel derived zirconia thin films and their relation to the crystal structure are studied in this paper. ZrO{sub 2} films were deposited on quartz glass and silicon wafer substrates by sol–gel method with conventional furnace annealing (CFA) and rapid thermal annealing (RTA). Crystal structures of the films were analyzed by X-ray diffraction (XRD) and Raman spectroscopy, while refractive indices of the films were determined from the reflectance and transmittance spectra. The refractive indices vary with the function of crystal structure and density of the films, which depends on annealing temperature and annealing technique. Lattice-mismatch between monoclinic phase and tetragonal phase was found to reduce the refractive index of ZrO{sub 2} films.