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.
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.
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)
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.)
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
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
Lattice effects in YVO3 single crystal
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 =
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.
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
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.
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.
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....
Optical spectra and lattice dynamics of molecular crystals
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.
International Nuclear Information System (INIS)
Fort, H.
1994-01-01
We present a survey on the state of the art in the formulation of lattice compact QED in the space of loops. In a first part we review our most recent Hamiltonian results which signal a second order transition for (3+1) compact QED. We devote the second part to the Lagrangian loop formalism, showing the equivalence of the recently proposed loop action with the Villain form. (orig.)
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.
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
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....
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)
Nematic quantum liquid crystals of bosons in frustrated lattices
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.
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)
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.
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
Lattice effects in HoVo(3) single crystal
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 =
Phonon-enhanced crystal growth and lattice healing
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.
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
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.
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.)
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
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
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
Supersymmetry on a space-time lattice
Energy Technology Data Exchange (ETDEWEB)
Kaestner, Tobias
2008-10-28
In this thesis the WZ model in one and two dimensions has been thoroughly investigated. With the help of the Nicolai map it was possible to construct supersymmetrically improved lattice actions that preserve one of several supersymmetries. For the WZ model in one dimension SLAC fermions were utilized for the first time leading to a near-perfect elimination of lattice artifacts. In addition the lattice superpotential does not get modified which in two dimensions becomes important when further (discrete) symmetries of the continuum action are considered. For Wilson fermions two new improvements have been suggested and were shown to yield far better results than standard Wilson fermions concerning lattice artifacts. In the one-dimensional theory Ward Identities were studied.However, supersymmetry violations due to broken supersymmetry could only be detected at coarse lattices and very strong couplings. For the two-dimensional models a detailed analysis of supersymmetric improvement terms was given, both for Wilson and SLAC fermions. (orig.)
Supersymmetry on a space-time lattice
International Nuclear Information System (INIS)
Kaestner, Tobias
2008-01-01
In this thesis the WZ model in one and two dimensions has been thoroughly investigated. With the help of the Nicolai map it was possible to construct supersymmetrically improved lattice actions that preserve one of several supersymmetries. For the WZ model in one dimension SLAC fermions were utilized for the first time leading to a near-perfect elimination of lattice artifacts. In addition the lattice superpotential does not get modified which in two dimensions becomes important when further (discrete) symmetries of the continuum action are considered. For Wilson fermions two new improvements have been suggested and were shown to yield far better results than standard Wilson fermions concerning lattice artifacts. In the one-dimensional theory Ward Identities were studied.However, supersymmetry violations due to broken supersymmetry could only be detected at coarse lattices and very strong couplings. For the two-dimensional models a detailed analysis of supersymmetric improvement terms was given, both for Wilson and SLAC fermions. (orig.)
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
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.)
Multispeed Lattice Boltzmann Model with Space-Filling Lattice for Transcritical Shallow Water Flows
Directory of Open Access Journals (Sweden)
Y. Peng
2017-01-01
Full Text Available Inspired by the recent success of applying multispeed lattice Boltzmann models with a non-space-filling lattice for simulating transcritical shallow water flows, the capabilities of their space-filling counterpart are investigated in this work. Firstly, two lattice models with five integer discrete velocities are derived by using the method of matching hydrodynamics moments and then tested with two typical 1D problems including the dam-break flow over flat bed and the steady flow over bump. In simulations, the derived space-filling multispeed models, together with the stream-collision scheme, demonstrate better capability in simulating flows with finite Froude number. However, the performance is worse than the non-space-filling model solved by finite difference scheme. The stream-collision scheme with second-order accuracy may be the reason since a numerical scheme with second-order accuracy is prone to numerical oscillations at discontinuities, which is worthwhile for further study.
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
Recursive evaluation of space-time lattice Green's functions
International Nuclear Information System (INIS)
De Hon, Bastiaan P; Arnold, John M
2012-01-01
Up to a multiplicative constant, the lattice Green's function (LGF) as defined in condensed matter physics and lattice statistical mechanics is equivalent to the Z-domain counterpart of the finite-difference time-domain Green's function (GF) on a lattice. Expansion of a well-known integral representation for the LGF on a ν-dimensional hyper-cubic lattice in powers of Z −1 and application of the Chu–Vandermonde identity results in ν − 1 nested finite-sum representations for discrete space-time GFs. Due to severe numerical cancellations, these nested finite sums are of little practical use. For ν = 2, the finite sum may be evaluated in closed form in terms of a generalized hypergeometric function. For special lattice points, that representation simplifies considerably, while on the other hand the finite-difference stencil may be used to derive single-lattice-point second-order recurrence schemes for generating 2D discrete space-time GF time sequences on the fly. For arbitrary symbolic lattice points, Zeilberger's algorithm produces a third-order recurrence operator with polynomial coefficients of the sixth degree. The corresponding recurrence scheme constitutes the most efficient numerical method for the majority of lattice points, in spite of the fact that for explicit numeric lattice points the associated third-order recurrence operator is not the minimum recurrence operator. As regards the asymptotic bounds for the possible solutions to the recurrence scheme, Perron's theorem precludes factorial or exponential growth. Along horizontal lattices directions, rapid initial growth does occur, but poses no problems in augmented dynamic-range fixed precision arithmetic. By analysing long-distance wave propagation along a horizontal lattice direction, we have concluded that the chirp-up oscillations of the discrete space-time GF are the root cause of grid dispersion anisotropy. With each factor of ten increase in the lattice distance, one would have to roughly
Economic analysis of crystal growth in space
Ulrich, D. R.; Chung, A. M.; Yan, C. S.; Mccreight, L. R.
1972-01-01
Many advanced electronic technologies and devices for the 1980's are based on sophisticated compound single crystals, i.e. ceramic oxides and compound semiconductors. Space processing of these electronic crystals with maximum perfection, purity, and size is suggested. No ecomonic or technical justification was found for the growth of silicon single crystals for solid state electronic devices in space.
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.
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
Optical trapping via guided resonance modes in a Slot-Suzuki-phase photonic crystal lattice.
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.
On the performance of diagonal lattice space-time codes
Abediseid, Walid
2013-11-01
There has been tremendous work done on designing space-time codes for the quasi-static multiple-input multiple output (MIMO) channel. All the coding design up-to-date focuses on either high-performance, high rates, low complexity encoding and decoding, or targeting a combination of these criteria [1]-[9]. In this paper, we analyze in details the performance limits of diagonal lattice space-time codes under lattice decoding. We present both lower and upper bounds on the average decoding error probability. We first derive a new closed-form expression for the lower bound using the so-called sphere lower bound. This bound presents the ultimate performance limit a diagonal lattice space-time code can achieve at any signal-to-noise ratio (SNR). The upper bound is then derived using the union-bound which demonstrates how the average error probability can be minimized by maximizing the minimum product distance of the code. Combining both the lower and the upper bounds on the average error probability yields a simple upper bound on the the minimum product distance that any (complex) lattice code can achieve. At high-SNR regime, we discuss the outage performance of such codes and provide the achievable diversity-multiplexing tradeoff under lattice decoding. © 2013 IEEE.
Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice
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.
Lattice quantum phase space and Yang-Baxter equation
International Nuclear Information System (INIS)
Djemai, A.E.F.
1995-04-01
In this work, we show that it is possible to construct the quantum group which preserves the quantum symplectic structure introduced in the context of the matrix Hamiltonian formalism. We also study the braiding existing behind the lattice quantum phase space, and present another type of non-trivial solution to the resulting Yang-Baxter equation. (author). 20 refs, 1 fig
Crystal manyfold universes in /AdS space
Kaloper, N.
2000-02-01
We derive crystal braneworld solutions, comprising of intersecting families of parallel /n+2-branes in a /4+n-dimensional /AdS space. Each family consists of alternating positive and negative tension branes. In the simplest case of exactly orthogonal families, there arise different crystals with unbroken /4D Poincaré invariance on the intersections, where our world can reside. A crystal can be finite along some direction, either because that direction is compact, or because it ends on a segment of /AdS bulk, or infinite, where the branes continue forever. If the crystal is interlaced by connected /3-branes directed both along the intersections and orthogonal to them, it can be viewed as an example of a Manyfold universe proposed recently by Arkani-Hamed, Dimopoulos, Dvali and the author. There are new ways for generating hierarchies, since the bulk volume of the crystal and the lattice spacing affect the /4D Planck mass. The low energy physics is sensitive to the boundary conditions in the bulk, and has to satisfy the same constraints discussed in the Manyfold universe. Phenomenological considerations favor either finite crystals, or crystals which are infinite but have broken translational invariance in the bulk. The most distinctive signature of the bulk structure is that the bulk gravitons are Bloch waves, with a band spectrum, which we explicitly construct in the case of a /5-dimensional theory.
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...
Impact of Heterogeneity and Lattice Bond Strength on DNA Triangle Crystal Growth.
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.
Space-Time Crystal and Space-Time Group.
Xu, Shenglong; Wu, Congjun
2018-03-02
Crystal structures and the Bloch theorem play a fundamental role in condensed matter physics. We extend the static crystal to the dynamic "space-time" crystal characterized by the general intertwined space-time periodicities in D+1 dimensions, which include both the static crystal and the Floquet crystal as special cases. A new group structure dubbed a "space-time" group is constructed to describe the discrete symmetries of a space-time crystal. Compared to space and magnetic groups, the space-time group is augmented by "time-screw" rotations and "time-glide" reflections involving fractional translations along the time direction. A complete classification of the 13 space-time groups in one-plus-one dimensions (1+1D) is performed. The Kramers-type degeneracy can arise from the glide time-reversal symmetry without the half-integer spinor structure, which constrains the winding number patterns of spectral dispersions. In 2+1D, nonsymmorphic space-time symmetries enforce spectral degeneracies, leading to protected Floquet semimetal states. We provide a general framework for further studying topological properties of the (D+1)-dimensional space-time crystal.
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.
Finite-lattice-spacing corrections to masses and g factors on a lattice
International Nuclear Information System (INIS)
Roskies, R.; Wu, J.C.
1986-01-01
We suggest an alternative method for extracting masses and g factors from lattice calculations. Our method takes account of more of the infrared and ultraviolet lattice effects. It leads to more reasonable results in simulations of QED on a lattice
First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
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.
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
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)
Deep Space Detection of Oriented Ice Crystals
Marshak, A.; Varnai, T.; Kostinski, A. B.
2017-12-01
The deep space climate observatory (DSCOVR) spacecraft resides at the first Lagrangian point about one million miles from Earth. A polychromatic imaging camera onboard delivers nearly hourly observations of the entire sun-lit face of the Earth. Many images contain unexpected bright flashes of light over both ocean and land. We constructed a yearlong time series of flash latitudes, scattering angles and oxygen absorption to demonstrate conclusively that the flashes over land are specular reflections off tiny ice crystals floating in the air nearly horizontally. Such deep space detection of tropospheric ice can be used to constrain the likelihood of oriented crystals and their contribution to Earth albedo.
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
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
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
Recursive evaluation of space-time lattice Green's functions
Hon, de B.P.; Arnold, J.M.
2012-01-01
Up to a multiplicative constant, the lattice Green’s function (LGF) as defined in condensed matter physics and lattice statistical mechanics is equivalent to the Z- domain counterpart of the finite-difference time-domain Green’s function (GF) on a lattice. Expansion of a well-known integral
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.
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)
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.
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.
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.
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
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.
Lattice dynamics of KxRhO2 single crystals
Directory of Open Access Journals (Sweden)
Bin-Bin Zhang
2015-08-01
Full Text Available A series of crystals KxRhO2 (x = 0.72, 0.63, 0.55, 0.39, and 0.24 have been synthesized and their vibrational properties have been studied by first principles calculations, Raman spectroscopy, and inelastic neutron scattering. The measured vibrational spectra of KxRhO2 for x = 0.72 and 0.63 are consistent with the theoretical prediction for the stoichiometric KRhO2. For samples with x = 0.55, 0.39 and 0.24, extra vibrational modes have been observed and they are believed to be due to the symmetry reduction and the loss of translational symmetry induced by K disorder. The good agreement was found for the phonon density of states among the Raman spectroscopic observations, inelastic neutron scattering and the first principles calculations, as an evidence for the generation of structure disorder by K deficiency.
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.
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)
Effect of plasma absorption on dust lattice waves in hexagonal dust crystals
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.
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.
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
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)
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
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.
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
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
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....
The lattice spinor QED Hamiltonian critique of the continuous space approach
International Nuclear Information System (INIS)
Sidorov, A.V.; Zastavenko, L.G.
1993-01-01
We give the irreproachable, from the point of view of gauge invariance, derivation of the lattice spinor QED Hamiltonian. Our QED Hamiltonian is manifestly gauge invariant. We point out important defects of the continuous space formulation of the QED that make, in our opinion, the lattice QED obviously preferable to the continuous space QED. We state that it is impossible to give a continuous space QED formulation which is compatible with the condition of gauge invariance. 17 refs
N=4 supersymmetry on a space-time lattice
DEFF Research Database (Denmark)
Catterall, Simon; Schaich, David; Damgaard, Poul H.
2014-01-01
Maximally supersymmetric Yang–Mills theory in four dimensions can be formulated on a space-time lattice while exactly preserving a single supersymmetry. Here we explore in detail this lattice theory, paying particular attention to its strongly coupled regime. Targeting a theory with gauge group SU...... behind a lattice formulation based on the SU(N) gauge group with the expected apparently conformal behavior at both weak and strong coupling....
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
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)
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)
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.
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)
A space-time lattice version of scalar electrodynamics
International Nuclear Information System (INIS)
Kijowski, J.; Thielmann, A.
1993-10-01
A Minkowski-lattice version of quantum scalar electrodynamics is constructed. Quantum field is consequently described in a gauge-independent way, i.e. the algebra of quantum observables of the theory is generated by gauge-invariant operators assigned to zero-, one-, and two-dimensional elements of the lattice. The operators satisfy canonical commutation relations. Field dynamics is formulated in terms of difference equations imposed on the field operators. The dynamics is obtained from a discrete version of the path-integral. (author). 19 refs
Modeling of Triangular Lattice Space Structures with Curved Battens
Chen, Tzikang; Wang, John T.
2005-01-01
Techniques for simulating an assembly process of lattice structures with curved battens were developed. The shape of the curved battens, the tension in the diagonals, and the compression in the battens were predicted for the assembled model. To be able to perform the assembly simulation, a cable-pulley element was implemented, and geometrically nonlinear finite element analyses were performed. Three types of finite element models were created from assembled lattice structures for studying the effects of design and modeling variations on the load carrying capability. Discrepancies in the predictions from these models were discussed. The effects of diagonal constraint failure were also studied.
Lattice Boltzmann Simulation of Kinetic Isotope Effect During Snow Crystal Formation
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
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.
Rapid characterization of a nanomaterial structure using X-ray reciprocal-lattice-space imaging
International Nuclear Information System (INIS)
Sakata, Osami; Yoshimoto, Mamoru; Miki, Kazushi
2006-01-01
The X-ray reciprocal-lattice-space imaging method is able to record the reciprocal-lattice-space of nanostructure by sample-and-detector fixed geometry. This method was developed by the surface structure analysis beam line BL13XU of SPring-8. Outline of the X-ray diffraction method and basic principles of the X-ray reciprocal-lattice-space imaging method, and application examples are stated. The method is able to find out the Bragg conditions of nanostructure of surface in the atmosphere. The reciprocal-lattice of the embedded trace atomic wires was observed. The trace atoms of Bi atomic wires embedded in silicone showed the diffraction signal and image by a short exposure time. This method is useful at rapid non-destructive measurement of nanostructure. (S.Y.)
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)
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)
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.
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].
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
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 .
Lattice Boltzmann Simulation of Water Isotope Fractionation During Growth of Ice Crystals in Clouds
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
q-deformed phase-space and its lattice structure
International Nuclear Information System (INIS)
Wess, J.
1998-01-01
Quantum groups lead to an algebraic structure that can be realized on quantum spaces. These are non-commutative spaces that inherit a well-defined mathematical structure from the quantum group symmetry. In turn, such quantum spaces can be interpreted as non-commutative configuration spaces for physical systems. We study the non-commutative Euclidean space that is based on the quantum group SO q (3)
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.
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.
Unidirectional edge states in topological honeycomb-lattice membrane photonic crystals.
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.
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)
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.)
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
The cone phase of liquid crystals: Triangular lattice of double-tilt ...
Indian Academy of Sciences (India)
(figure 3) and analyse the mechanism which stabilizes it. Liquid crystals are soft ... There is no change in the smectic layer spacing along .... with the case of blue phases of cubic symmetry where the pitch of the helix provides a natural length ...
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.
ZrH reactor lattice spacing (heat transfer considerations)
International Nuclear Information System (INIS)
Felten, L.D.
1970-01-01
Temperature calculations for a 295 element ZrH reactor at fuel element spacings from 0.010'' to 0.065'' showed a very small dependence of reactor temperature on element spacing. It was found that one variation in coolant channel area (2 zones) was sufficient to satisfactorily shape the radial flow profile for the core. (U.S.)
Axial and Radial Forces of Cross-Bridges Depend on Lattice Spacing
Williams, C. David; Regnier, Michael; Daniel, Thomas L.
2010-01-01
Nearly all mechanochemical models of the cross-bridge treat myosin as a simple linear spring arranged parallel to the contractile filaments. These single-spring models cannot account for the radial force that muscle generates (orthogonal to the long axis of the myofilaments) or the effects of changes in filament lattice spacing. We describe a more complex myosin cross-bridge model that uses multiple springs to replicate myosin's force-generating power stroke and account for the effects of lattice spacing and radial force. The four springs which comprise this model (the 4sXB) correspond to the mechanically relevant portions of myosin's structure. As occurs in vivo, the 4sXB's state-transition kinetics and force-production dynamics vary with lattice spacing. Additionally, we describe a simpler two-spring cross-bridge (2sXB) model which produces results similar to those of the 4sXB model. Unlike the 4sXB model, the 2sXB model requires no iterative techniques, making it more computationally efficient. The rate at which both multi-spring cross-bridges bind and generate force decreases as lattice spacing grows. The axial force generated by each cross-bridge as it undergoes a power stroke increases as lattice spacing grows. The radial force that a cross-bridge produces as it undergoes a power stroke varies from expansive to compressive as lattice spacing increases. Importantly, these results mirror those for intact, contracting muscle force production. PMID:21152002
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
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}.
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.
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.
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.
On the performance of diagonal lattice space-time codes
Abediseid, Walid; Alouini, Mohamed-Slim
2013-01-01
There has been tremendous work done on designing space-time codes for the quasi-static multiple-input multiple output (MIMO) channel. All the coding design up-to-date focuses on either high-performance, high rates, low complexity encoding
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.
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
Lattice study of the gluon propagator in momentum space
Energy Technology Data Exchange (ETDEWEB)
Bernard, C. (Department of Physics, Washington University, St. Louis, Missouri 63130 (United States)); Parrinello, C. (Physics Department, New York University, 4 Washington Place, New York, New York 10003 (United States) Physics Department, Brookhaven National Laboratory, Upton, New York 11973 (United States)); Soni, A. (Physics Department, Brookhaven National Laboratory, Upton, New York 11973 (United States))
1994-02-01
We consider pure glue QCD at [beta]=5.7, [beta]=6.0, and [beta]=6.3. We evaluate the gluon propagator both in time at zero three-momentum and in momentum space. From the former quantity we obtain evidence for a dynamically generated effective mass, which at [beta]=6.0 and [beta]=6.3 increases with the time separation of the sources, in agreement with earlier results. The momentum space propagator [ital G]([ital k]) provides further evidence for mass generation. In particular, at [beta]=6.0, for 300 MeV[approx lt][ital k][approx lt]1 GeV, the propagator [ital G]([ital k]) can be fit to a continuum formula proposed by Gribov and others, which contains a mass scale [ital b], presumably related to the hadronization mass scale. For higher momenta Gribov's model no longer provides a good fit, as [ital G]([ital k]) tends rather to follow an inverse power law [approx]1/[ital k][sup 2+[gamma
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
Axion-photon conversion in space and in low symmetrical dielectric crystals
International Nuclear Information System (INIS)
Gorelik, V S
2016-01-01
The opportunities of axions detection as the result of axion-photon conversion processes in the space and in low symmetrical dielectric crystals are discussed. In accordance with the modern theory predictions, axions are pseudoscalar vacuum particles having very small (0.001-1.0 meV) rest energy. The possibility of axions conversion into photons and vice-versa processes in vacuum at the presence of outer magnetic field has been analyzed before. Pseudoscalar (axion type) modes are existing in some types of crystals. Polar pseudoscalar lattice and exciton modes in low symmetrical crystals are strongly interacted with axions. In this work, optical excitation of axion-type modes in low symmetrical crystals is proposed for observation of axion - photon conversion processes. Instead of outer magnetic field, the crystalline field of such crystals may be used. The experimental schemes for axion-photon conversion processes observation with recording the secondary emission of luminescence, infrared or Stimulated Raman Scattering in some dielectric crystals are discussed. (paper)
International Nuclear Information System (INIS)
Minakawa, Nobuaki; Moriai, Atsushi; Morii, Yukio
2001-01-01
It is necessary to determine Δd/d in the internal stress measurement by the neutron diffraction method. Therefore, in case the non-strain spacing of lattice planes d 0 (hkl) is measured using bulk material, even though it does and attaches in a sample table length or every width and it is performing the diffraction measurement, it is difficult to determine for a true non-strain spacing of lattice planes by a processing strain, the grain-orientation, etc. It is available for the infinite thing spacing of lattice planes near non-strain condition to be measured by doing random rotation for bulk material in a beam center, and measuring an average spacing of lattice planes. Practical non-strain spacing of lattice planes measurement equipment was made, and the measurement was performed about much structure material. (author)
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.
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.
Equivalence of meson scattering amplitudes in strong coupling lattice and flat space string theory
Directory of Open Access Journals (Sweden)
Adi Armoni
2018-03-01
Full Text Available We consider meson scattering in the framework of the lattice strong coupling expansion. In particular we derive an expression for the 4-point function of meson operators in the planar limit of scalar Chromodynamics. Interestingly, in the naive continuum limit the expression coincides with an independently known result, that of the worldline formalism. Moreover, it was argued by Makeenko and Olesen that (assuming confinement the resulting scattering amplitude in momentum space is the celebrated expression proposed by Veneziano several decades ago. This motivates us to also use holography in order to argue that the continuum expression for the scattering amplitude is related to the result obtained from flat space string theory. Our results hint that at strong coupling and large-Nc the naive continuum limit of the lattice formalism can be related to a flat space string theory.
Equivalence of meson scattering amplitudes in strong coupling lattice and flat space string theory
Armoni, Adi; Ireson, Edwin; Vadacchino, Davide
2018-03-01
We consider meson scattering in the framework of the lattice strong coupling expansion. In particular we derive an expression for the 4-point function of meson operators in the planar limit of scalar Chromodynamics. Interestingly, in the naive continuum limit the expression coincides with an independently known result, that of the worldline formalism. Moreover, it was argued by Makeenko and Olesen that (assuming confinement) the resulting scattering amplitude in momentum space is the celebrated expression proposed by Veneziano several decades ago. This motivates us to also use holography in order to argue that the continuum expression for the scattering amplitude is related to the result obtained from flat space string theory. Our results hint that at strong coupling and large-Nc the naive continuum limit of the lattice formalism can be related to a flat space string theory.
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
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
Crystal lattice desolvation effects on the magnetic quantum tunneling of single-molecule magnets
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.
Self-dual phase space for (3 +1 )-dimensional lattice Yang-Mills theory
Riello, Aldo
2018-01-01
I propose a self-dual deformation of the classical phase space of lattice Yang-Mills theory, in which both the electric and magnetic fluxes take value in the compact gauge Lie group. A local construction of the deformed phase space requires the machinery of "quasi-Hamiltonian spaces" by Alekseev et al., which is reviewed here. The results is a full-fledged finite-dimensional and gauge-invariant phase space, the self-duality properties of which are largely enhanced in (3 +1 ) spacetime dimensions. This enhancement is due to a correspondence with the moduli space of an auxiliary noncommutative flat connection living on a Riemann surface defined from the lattice itself, which in turn equips the duality between electric and magnetic fluxes with a neat geometrical interpretation in terms of a Heegaard splitting of the space manifold. Finally, I discuss the consequences of the proposed deformation on the quantization of the phase space, its quantum gravitational interpretation, as well as its relevance for the construction of (3 +1 )-dimensional topological field theories with defects.
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.
Lattice Boltzmann simulation of asymmetric flow in nematic liquid crystals with finite anchoring
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.
Minkowski space pion model inspired by lattice QCD running quark mass
Energy Technology Data Exchange (ETDEWEB)
Mello, Clayton S. [Instituto Tecnológico de Aeronáutica, DCTA, 12.228-900 São José dos Campos, SP (Brazil); Melo, J.P.B.C. de [Laboratório de Física Teórica e Computacional – LFTC, Universidade Cruzeiro do Sul, 01506-000 São Paulo, SP (Brazil); Frederico, T., E-mail: tobias@ita.br [Instituto Tecnológico de Aeronáutica, DCTA, 12.228-900 São José dos Campos, SP (Brazil)
2017-03-10
The pion structure in Minkowski space is described in terms of an analytic model of the Bethe–Salpeter amplitude combined with Euclidean Lattice QCD results. The model is physically motivated to take into account the running quark mass, which is fitted to Lattice QCD data. The pion pseudoscalar vertex is associated to the quark mass function, as dictated by dynamical chiral symmetry breaking requirements in the limit of vanishing current quark mass. The quark propagator is analyzed in terms of a spectral representation, and it shows a violation of the positivity constraints. The integral representation of the pion Bethe–Salpeter amplitude is also built. The pion space-like electromagnetic form factor is calculated with a quark electromagnetic current, which satisfies the Ward–Takahashi identity to ensure current conservation. The results for the form factor and weak decay constant are found to be consistent with the experimental data.
Minkowski space pion model inspired by lattice QCD running quark mass
Directory of Open Access Journals (Sweden)
Clayton S. Mello
2017-03-01
Full Text Available The pion structure in Minkowski space is described in terms of an analytic model of the Bethe–Salpeter amplitude combined with Euclidean Lattice QCD results. The model is physically motivated to take into account the running quark mass, which is fitted to Lattice QCD data. The pion pseudoscalar vertex is associated to the quark mass function, as dictated by dynamical chiral symmetry breaking requirements in the limit of vanishing current quark mass. The quark propagator is analyzed in terms of a spectral representation, and it shows a violation of the positivity constraints. The integral representation of the pion Bethe–Salpeter amplitude is also built. The pion space-like electromagnetic form factor is calculated with a quark electromagnetic current, which satisfies the Ward–Takahashi identity to ensure current conservation. The results for the form factor and weak decay constant are found to be consistent with the experimental data.
Electrostatic energies of crystals in space of arbitrary dimension
International Nuclear Information System (INIS)
Takemoto, Hiroki; Tohsaki, Akihiro
2005-01-01
We present a new method to evaluate electrostatic energies under periodic boundary conditions. The lattice sum of Coulomb potentials is expressed through the elliptic Q function of the third kind. This enables us to evaluate electrostatic energies of ionic crystals very accurately and with very rapid convergence. In particular, we study the dimensionality of the electrostatic energies of NaCl-type and CsCl-type crystals, whose expressions are functions of the spatial dimension treated as a real number. Furthermore, the expressions we obtain are applicable to computational simulations using molecular dynamics and Monte Carlo methods. We generate random distributions of point charges under periodic boundary conditions, and we analyze the randomness and its anisotropy on the basis of potential distributions. (author)
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.
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.
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
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.
No-neighbours recurrence schemes for space-time Green's functions on a 3D simple cubic lattice
De Hon, Bastiaan P.; Floris, Sander J.; Arnold, John M.
2018-01-01
Application of multivariate creative telescoping to a finite triple sum representation of the discrete space-time Green's function for an arbitrary numeric (non-symbolic) lattice point on a 3D simple cubic lattice produces a fast, no-neighbours, seventh-order, eighteenth-degree, discrete-time
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.
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.
Abediseid, Walid
2012-01-01
complexity of sphere decoding for the quasi- static, lattice space-time (LAST) coded MIMO channel. Specifically, we drive an upper bound of the tail distribution of the decoder's computational complexity. We show that when the computational complexity exceeds
Macromolecular Crystallization in Microfluidics for the International Space Station
Monaco, Lisa A.; Spearing, Scott
2003-01-01
At NASA's Marshall Space Flight Center, the Iterative Biological Crystallization (IBC) project has begun development on scientific hardware for macromolecular crystallization on the International Space Station (ISS). Currently ISS crystallization research is limited to solution recipes that were prepared on the ground prior to launch. The proposed hardware will conduct solution mixing and dispensing on board the ISS, be fully automated, and have imaging functions via remote commanding from the ground. Utilizing microfluidic technology, IBC will allow for on orbit iterations. The microfluidics LabChip(R) devices that have been developed, along with Caliper Technologies, will greatly benefit researchers by allowing for precise fluid handling of nano/pico liter sized volumes. IBC will maximize the amount of science return by utilizing the microfluidic approach and be a valuable tool to structural biologists investigating medically relevant projects.
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.)
Habash, Jarjis; Boggon, Titus J; Raftery, James; Chayen, Naomi E; Zagalsky, Peter F; Helliwell, John R
2003-07-01
Models of apocrustacyanin C(1) were refined against X-ray data recorded on Bending Magnet 14 at the ESRF to resolutions of 1.85 and 2 A from a space-grown and an earth-grown crystal, respectively, both using vapour-diffusion crystal-growth geometry. The space crystals were grown in the APCF on the NASA Space Shuttle. The microgravity crystal growth showed a cyclic nature attributed to Marangoni convection, thus reducing the benefits of the microgravity environment, as reported previously [Chayen et al. (1996), Q. Rev. Biophys. 29, 227-278]. A subsequent mosaicity evaluation, also reported previously, showed only a partial improvement in the space-grown crystals over the earth-grown crystals [Snell et al. (1997), Acta Cryst. D53, 231-239], contrary to the case for lysozyme crystals grown in space with liquid-liquid diffusion, i.e. without any major motion during growth [Snell et al. (1995), Acta Cryst. D52, 1099-1102]. In this paper, apocrustacyanin C(1) electron-density maps from the two refined models are now compared. It is concluded that the electron-density maps of the protein and the bound waters are found to be better overall for the structures of apocrustacyanin C(1) studied from the space-grown crystal compared with those from the earth-grown crystal, even though both crystals were grown using vapour-diffusion crystal-growth geometry. The improved residues are on the surface of the protein, with two involved in or nearby crystal lattice-forming interactions, thus linking an improved crystal-growth mechanism to the molecular level. The structural comparison procedures developed should themselves be valuable for evaluating crystal-growth procedures in the future.
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.
Crystal Growth and Other Materials Physical Researches in Space Environment
Pan, Mingxiang
Material science researches in space environment are based on reducing the effects of buoyancy driven transport, the effects of atomic oxygen, radiation, extremes of heat and cold and the ultrahigh vacuum, so as to unveil the underlying fundamental phenomena, lead maybe to new potential materials or new industrial processes and develop space techniques. Currently, research program on materials sciences in Chinese Manned Space Engineering (CMSE) is going on. More than ten projects related to crystal growth and materials processes are selected as candidates to be executed in Shenzhou spacecraft, Tiangong Space Laboratory and Chinese Space Station. In this talk, we will present some examples of the projects, which are being prepared and executed in the near future flight tasks. They are both basic and applied research, from discovery to technology.
A comparison of VRML and animation of rotation for teaching 3-dimensional crystal lattice structures
Sauls, Barbara Lynn
Chemistry students often have difficulty visualizing abstract concepts of molecules and atoms, which may lead to misconceptions. The three-dimensionality of these structures presents a challenge to educators. Typical methods of teaching include text with two-dimensional graphics and structural models. Improved methods to allow visualization of 3D structures may improve learning of these concepts. This research compared the use of Virtual Reality Modeling Language (VRML) and animation of rotation for teaching three-dimensional structures. VRML allows full control of objects by altering angle, size, rotation, and provides the ability to zoom into and through objects. Animations may only be stopped, restarted and replayed. A web-based lesson teaching basic concepts of crystals, which requires comprehension of their three-dimensional structure was given to 100 freshmen chemistry students. Students were stratified by gender then randomly to one of two lessons, which were identical except for the multimedia method used to show the lattices and unit cells. One method required exploration of the structures using VRML, the other provided animations of the same structures rotating. The students worked through an examination as the lesson progressed. A Welch t' test was used to compare differences between groups. No significant difference in mean achievement was found between the two methods, between genders, or within gender. There was no significant difference in mean total SAT in the animation and VRML group. Total time on task had no significant difference nor did enjoyment of the lesson. Students, however, spent 14% less time maneuvering VRML structures than viewing the animations of rotation. Neither method proved superior for presenting three-dimensional information. The students spent less time maneuvering the VRML structures with no difference in mean score so the use of VRML may be more efficient. The investigator noted some manipulation difficulties using VRML to
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
DEFF Research Database (Denmark)
Buschard, Karsten; Bracey, Austin W.; McElroy, Daniel L.
2016-01-01
Background. Sulfatide is known to chaperone insulin crystallization within the pancreatic beta cell, but it is not known if this results from sulfatide being integrated inside the crystal structure or by binding the surface of the crystal. With this study, we aimed to characterize the molecular m...
Characterisation of a LSO scintillation crystal for space applications
Energy Technology Data Exchange (ETDEWEB)
Elftmann, Robert; Grunau, Jan; Kulkarni, Shrinivasrao; Martin, Cesar; Wimmer-Schweingruber, Robert F. [IEAP, Christian-Albrechts-Universitaet Kiel (Germany)
2013-07-01
Inorganic scintillation crystals coupled with semiconductor detectors are often used in space applications as gamma ray detectors or high energy particle calorimeters. Currently BGO (Bi{sub 4}Ge{sub 3}O{sub 12}) is widely used for this purpose because of its high stopping power, the non hygroscopy and its ruggedness, which is favorable in space applications. Cerium doped LSO (Lu{sub 2}SiO{sub 5}) offers the same benefits with higher light output capabilites and a shorter decay time. In this work a cerium doped LSO scintillation crystal coupled with a photo diode is investigated. The light yield and resolution studies for two different radioactive sources, {sup 207}Bi and {sup 60}Co, are presented. To increase the light collection and consequently the energy resolution, scintillation crystals are wrapped in highly reflective material. The increase in light collection depending on the amount of layers for the LSO crystal along with investigations of quenching effects with alpha particles and the background spectrum, which arises from radioactive cerium isotopes, are also included in this work.
Enhancement of Solar Cell Efficiency for Space Applications Using Two-Dimensional Photonic Crystals
Directory of Open Access Journals (Sweden)
Postigo P.A.
2017-01-01
Full Text Available The effects of having a nanopatterned photonic crystal (PC structure in the surface of a solar cell can be usefully employed to increase the energy conversion efficiency, which may be critical for space applications. In this work, we have measured the reflectance (R and transmittance (T of thin InP layers (270 nm thick bonded to a glass substrate and nanopatterned with holes down to the glass in a triangular symmetry lattice separated by a lattice parameter a=450nm and maintaining a value of r/a=0.32. The optical spectra were measured with angular resolution in the range from 0.55 to 2.0 eV. There are noticeable changes in the spectra of the PC sample, with minima and maxima of the R and T clearly shifted with respect to the unpatterned sample, and new features that alter significantly the overall lineshape of each spectrum. Those features correspond in a first approximation to the well-known Fano-like resonances of the discrete photonic modes of the PC lattice and they have been used before to determine experimentally the position of the PC bands. The observed features can be translated to the optical absorption (A defined as A=1-R-T provided there are low or negligible scattering effects. The generated absorption spectra show enhancements above and below the electronic band edge of the InP that can be correlated with the photonic band structure. Even using a thicker semiconductor layer, the abovementioned effects can justify to use a photonic crystal front surface with sub-wavelength motifs. In this way, we have fabricated and characterized a complete Ge/InGaP solar cell with a 2D-PC on its front surface. An increase in the photocurrent up to a 8% was achieved on a solar cell with a 40% of its surface covered with a PC pattern. Enhancements of the external quantum efficiency (EQE of 22% for a wide range of wavelengths and up to a 46% for specific wavelengths have been measured, without use of any anti-reflection coating (ARC. A correlation
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.
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...
Lucarini, Valerio
2009-01-01
We perturb the simple cubic (SC), body-centered cubic (BCC), and face-centered cubic (FCC) structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter α and analyze the statistical properties of the cells of the resulting Voronoi tessellations using an ensemble approach. We concentrate on topological properties of the cells, such as the number of faces, and on metric properties of the cells, such as the area, volume and the isoperimetric quotient. The topological properties of the Voronoi tessellations 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 even against noise of small but finite intensity. Whereas the average volume of the cells is the intensity parameter of the system and does not depend on the noise, the average area of the cells has a rather interesting behavior with respect to noise intensity. For weak noise, the mean area of the Voronoi tessellations corresponding to perturbed BCC and FCC perturbed increases quadratically with the noise intensity. In the case of perturbed SCC crystals, there is an optimal amount of noise that minimizes the mean area of the cells. Already for a moderate amount of noise ( α>0.5), the statistical properties of the three perturbed tessellations are indistinguishable, and for intense noise ( α>2), results converge to those of the Poisson-Voronoi tessellation. Notably, 2-parameter gamma distributions constitute an excellent model for the empirical pdf of all considered topological and metric properties. By analyzing jointly the statistical properties of the area and of the volume of the cells, we discover that also the cells shape, measured by the isoperimetric quotient, fluctuates. The Voronoi tessellations of the BCC and of the FCC structures result to be local maxima for the isoperimetric quotient among space
On the performance of diagonal lattice space-time codes for the quasi-static MIMO channel
Abediseid, Walid
2013-06-01
There has been tremendous work done on designing space-time codes for the quasi-static multiple-input multiple-output (MIMO) channel. All the coding design to date focuses on either high-performance, high rates, low complexity encoding and decoding, or targeting a combination of these criteria. In this paper, we analyze in detail the performance of diagonal lattice space-time codes under lattice decoding. We present both upper and lower bounds on the average error probability. We derive a new closed form expression of the lower bound using the so-called sphere-packing bound. This bound presents the ultimate performance limit a diagonal lattice space-time code can achieve at any signal-to-noise ratio (SNR). The upper bound is simply derived using the union-bound and demonstrates how the average error probability can be minimized by maximizing the minimum product distance of the code. © 2013 IEEE.
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)
Q-space analysis of light scattering by ice crystals
Heinson, Yuli W.; Maughan, Justin B.; Ding, Jiachen; Chakrabarti, Amitabha; Yang, Ping; Sorensen, Christopher M.
2016-12-01
Q-space analysis is applied to extensive simulations of the single-scattering properties of ice crystals with various habits/shapes over a range of sizes. The analysis uncovers features common to all the shapes: a forward scattering regime with intensity quantitatively related to the Rayleigh scattering by the particle and the internal coupling parameter, followed by a Guinier regime dependent upon the particle size, a complex power law regime with incipient two dimensional diffraction effects, and, in some cases, an enhanced backscattering regime. The effects of significant absorption on the scattering profile are also studied. The overall features found for the ice crystals are similar to features in scattering from same sized spheres.
Real-space renormalization group; application to site percolation in square lattice
International Nuclear Information System (INIS)
Tsallis, C.; Schwachheim, G.
1978-05-01
The real-space renormalization group proposed by Reynolds, Klein and Stanley 1977 to treat the site percolation is analysed and extended . The best among 3 possible definitions of 'percolating' configurations and among 5 possible methods to weight these configurations, are established for percolation in square lattices. The use of n xn square clusters leads, for n = 2 (RKS), n = 3 and n = 4, to √ sub (p) approximately equal to 1.635, √ sub(p) approximately equal to 1.533 and √ sub(p) approximately equal to 1.498, and also to P sub(c) approximately equal to 0.382, P sub(c) approximately equal to 0.388 and P sub(c) approximately equal to 0.398, exhibiting in this way the correct (but slow) tendency towards the best up to date values [pt
Nonlinear Stability of ρ-Functional Equations in Latticetic Random Banach Lattice Spaces
Directory of Open Access Journals (Sweden)
Mohammad Maleki V.
2018-02-01
Full Text Available In this paper, we prove the generalized nonlinear stability of the first and second of the following ρ -functional equations, G ( | a | Δ A * | b | Δ B * G ( | a | Δ A * * | b | − G ( | a | Δ B * * G ( | b | = ρ ( 2 G | a | Δ A * | b | 2 Δ B * G | a | Δ A * * | b | 2 − G ( | a | Δ B * * G ( | b | , and 2 G | a | Δ A * | b | 2 Δ B * G | a | Δ A * * | b | 2 − G ( | a | Δ B * * G ( | b | = ρ G ( | a | Δ A * | b | Δ B * G ( | a | Δ A * * | b | − G ( | a | Δ B * * G ( | b | in latticetic random Banach lattice spaces, where ρ is a fixed real or complex number with ρ ≠ 1 .
Scott, Paul
2006-01-01
A lattice is a (rectangular) grid of points, usually pictured as occurring at the intersections of two orthogonal sets of parallel, equally spaced lines. Polygons that have lattice points as vertices are called lattice polygons. It is clear that lattice polygons come in various shapes and sizes. A very small lattice triangle may cover just 3…
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
Banavoth, Murali; Yengel, Emre; Peng, Wei; Chen, Zhijie; Alias, Mohd Sharizal; Alarousu, Erkki; Ooi, Boon S.; Burlakov, Victor; Goriely, Alain; Eddaoudi, Mohamed; Bakr, Osman; Mohammed, Omar F.
2016-01-01
Hybrid organic-inorganic perovskite crystals have recently become one of the most important classes of photoactive materials in the solar cell and optoelectronic communities. Albeit improvements have focused on state-of-the-art technology including
Barashkov, M. V.; Komyak, A. I.; Shashkov, S. N.
2000-03-01
The IR spectra and polarized Raman spectra of crystals of hexahydrates of zinc potassium and ammonium sulfates have been obtained experimentally at 93 K and at room temperature. The frequencies and modes of normal vibrations of the octahedral complex [Zn(H2O)6]2+ have been calculated. The assignment of the observed lines of the internal and external vibrations of the crystal cell has been made by calculations and by factor-group analysis.
Directory of Open Access Journals (Sweden)
P. Chervet
1996-08-01
Full Text Available Radiative properties of cirrus clouds are one of the major unsolved problems in climate studies and global radiation budget. These clouds are generally composed of various ice-crystal shapes, so we tried to evaluate effects of the ice-crystal shape on radiative fluxes. We calculated radiative fluxes of cirrus clouds with a constant geometrical depth, composed of ice crystals with different shapes (hexagonal columns, bullets, bullet-rosettes, sizes and various concentrations. We considered ice particles randomly oriented in space (3D case and their scattering phase functions were calculated by a ray-tracing method. We calculated radiative fluxes for cirrus layers for different microphysical characteristics by using a discrete-ordinate radiative code. Results showed that the foremost effect of the ice-crystal shape on radiative properties of cirrus clouds was that on the optical thickness, while the variation of the scattering phase function with the ice shape remained less than 3% for our computations. The ice-water content may be a better choice to parameterize the optical properties of cirrus, but the shape effect must be included.
Disordered crystals from first principles I: Quantifying the configuration space
Kühne, Thomas D.; Prodan, Emil
2018-04-01
This work represents the first chapter of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures. We are interested in the range of temperatures, where most electronic components operate, that is, room temperature and above. The aim is a predictive first-principle formalism that combines ab-initio molecular dynamics and a finite-temperature Kubo-formula for homogeneous thermodynamic phases. The input for this formula is the ergodic dynamical system (Ω , G , dP) defining the thermodynamic crystalline phase, where Ω is the configuration space for the atomic degrees of freedom, G is the space group acting on Ω and dP is the ergodic Gibbs measure relative to the G-action. The present work develops an algorithmic method for quantifying (Ω , G , dP) from first principles. Using the silicon crystal as a working example, we find the Gibbs measure to be extremely well characterized by a multivariate normal distribution, which can be quantified using a small number of parameters. The latter are computed at various temperatures and communicated in the form of a table. Using this table, one can generate large and accurate thermally-disordered atomic configurations to serve, for example, as input for subsequent simulations of the electronic degrees of freedom.
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.
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)
无
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.
Lorente, M.
2003-01-01
We explore the mathematical consequences of the assumption of a discrete space-time. The fundamental laws of physics have to be translated into the language of discrete mathematics. We find integral transformations that leave the lattice of any dimension invariant and apply these transformations to field equations.
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)
International Nuclear Information System (INIS)
Matausek, M.V.; Zmijatevic, I.
1981-01-01
A procedure to solve the space-single-lethargy dependent transport equation for epithermal neutrons in a cylindricised multi-region reactor lattice cell has been developed and proposed in the earlier papers. Here, the computational algorithm is comprised and the computing program SPLET, which calculates the space-lethargy distribution of the spherical harmonics neutron flux moments, as well as the related integral quantities as reaction rates and resonance integrals, is described. (author)
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.
Analysis of the crystal lattice instability for cage–cluster systems using the superatom model
Energy Technology Data Exchange (ETDEWEB)
Serebrennikov, D. A., E-mail: dserebrennikov@innopark.kantiana.ru, E-mail: dimafania@mail.ru; Clementyev, E. S. [I. Kant Baltic Federal University, “Functional Nanomaterials” Scientific–Educational Center (Russian Federation); Alekseev, P. A. [“Kurchatov Institute” National Research Center (Russian Federation)
2016-09-15
We have investigated the lattice dynamics for a number of rare-earth hexaborides based on the superatom model within which the boron octahedron is substituted by one superatom with a mass equal to the mass of six boron atoms. Phenomenological models have been constructed for the acoustic and lowenergy optical phonon modes in RB{sub 6} (R = La, Gd, Tb, Dy) compounds. Using DyB{sub 6} as an example, we have studied the anomalous softening of longitudinal acoustic phonons in several crystallographic directions, an effect that is also typical of GdB{sub 6} and TbB{sub 6}. The softening of the acoustic branches is shown to be achieved through the introduction of negative interatomic force constants between rare-earth ions. We discuss the structural instability of hexaborides based on 4f elements, the role of valence instability in the lattice dynamics, and the influence of the number of f electrons on the degree of softening of phonon modes.
Lattice and Molecular Vibrations in Single Crystal I2 at 77 K by Inelastic Neutron Scattering
DEFF Research Database (Denmark)
Smith, H. G.; Nielsen, Mourits; Clark, C. B.
1975-01-01
Phonon dispersion curves of single crystal iodine at 77 K have been measured by one-phonon coherent inelastic neutron scattering techniques. The data are analysed in terms of two Buckingham-six intermolecular potentials; one to represent the shortest intermolecular interaction (3.5 Å) and the other...
Crystal lattice dependency of the free radicals found in irradiated glycine
Bie, M.J.A. de; Braams, R.
1969-01-01
The EPR spectra, and hence the stable free radicals, are different for the - or γ-irradiated α-, β- and γ-crystal forms of polycrystalline glycone. Therefore comparisons of the trideutero-glycine EPR spectrum with the EPR spectra of non-deuterated glycine are open to question
Luealamai, Sutha; Panijpan, Bhinyo
2012-01-01
The authors have developed a computer-based learning module on the unit cell of various types of crystal. The module has two components: the virtual unit cell (VUC) part and the subsequent unit cell hunter part. The VUC is a virtual reality simulation for students to actively arrive at the unit cell from exploring, from a broad view, the crystal…
A 2D Rods-in-Air Square-Lattice Photonic Crystal Optical Switch
2009-03-01
4] Tao Chu, Hirohito Yamada, Satomi Ishida, Yasuhiko Arakawa, Thermooptic switch based on photonic-crystal line-defect waveguides, IEEE Photon...Ishida, Yasuhiko Arakawa, Hiroyuki Fujita, Hiroshi Toshiyoshi, Design and fabrication on MEMS optical mod- ulators integrated with Phc waveguide, in
Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes
2014-05-01
Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA
Space growth studies of Ce-doped Bi12SiO20 single crystal
International Nuclear Information System (INIS)
Zhou, Y.F.; Wang, J.C.; Tang, L.A.; Pan, Z.L.; Chen, N.F.; Chen, W.C.; Huang, Y.Y.; He, W.
2004-01-01
Ce-doped Bi 12 SiO 20 (BSO) single crystal was grown on board of the Chinese Spacecraft-Shenzhou No. 3. A cylindrical crystal, 10 mm in diameter and 40 mm in length, was obtained. The morphology of crystals is significantly different for ground- and space-grown portions. The space- and ground-grown crystals have been characterized by Ce concentration distribution, X-ray rocking curve absorption spectrum and micro-Raman spectrum. The results show that the quality of Ce-doped BSO crystal grown in space is more homogeneous and more perfect than that of ground grown one
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.
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)
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.
Introduction to Louis Michel's lattice geometry through group action
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 ...
Ion channeling study of lattice distortions in chromium-doped SrTiO3 crystals
Czech Academy of Sciences Publication Activity Database
Lavrentiev, Vasyl; Vacík, Jiří; Dejneka, Alexandr; Trepakov, Vladimír; Jastrabík, Lubomír
2013-01-01
Roč. 55, č. 7 (2013), s. 1431-1437 ISSN 1063-7834 R&D Projects: GA ČR(CZ) GAP107/11/1856; GA ČR(CZ) GBP108/12/G108; GA ČR GAP108/12/1941 Grant - others:GA MŠk(CZ) ED2.1.00/03.0058 Program:ED Institutional support: RVO:68378271 ; RVO:61389005 Keywords : ion channeling * lattice distortions * SrTiO3 Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders; BM - Solid Matter Physics ; Magnetism (FZU-D) Impact factor: 0.782, year: 2013 http://link.springer.com/article/10.1134%2FS1063783413070202
Acoustic band gaps of the woodpile sonic crystal with the simple cubic lattice
Energy Technology Data Exchange (ETDEWEB)
Wu, Liang-Yu; Chen, Lien-Wen, E-mail: chenlw@mail.ncku.edu.t [Department of Mechanical Engineering, National Cheng Kung University, Tainan 70101, Taiwan (China)
2011-02-02
This study theoretically and experimentally investigates the acoustic band gap of a three-dimensional woodpile sonic crystal. Such crystals are built by blocks or rods that are orthogonally stacked together. The adjacent layers are perpendicular to each other. The woodpile structure is embedded in air background. Their band structures and transmission spectra are calculated using the finite element method with a periodic boundary condition. The dependence of the band gap on the width of the stacked rods is discussed. The deaf bands in the band structure are observed by comparing with the calculated transmission spectra. The experimental transmission spectra for the {Gamma}-X and {Gamma}-X' directions are also presented. The calculated results are compared with the experimental results.
Czech Academy of Sciences Publication Activity Database
Dietz, B.; Iachello, F.; Macek, Michal
2017-01-01
Roč. 7, č. 8 (2017), č. článku 246. ISSN 2073-4352 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : algebraic models * graphene-like materials * striped structures * photonic crystals Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.566, year: 2016
Multi-vortex crystal lattices in Bose-Einstein condensates with a rotating trap.
Xie, Shuangquan; Kevrekidis, Panayotis G; Kolokolnikov, Theodore
2018-05-01
We consider vortex dynamics in the context of Bose-Einstein condensates (BECs) with a rotating trap, with or without anisotropy. Starting with the Gross-Pitaevskii (GP) partial differential equation (PDE), we derive a novel reduced system of ordinary differential equations (ODEs) that describes stable configurations of multiple co-rotating vortices (vortex crystals). This description is found to be quite accurate quantitatively especially in the case of multiple vortices. In the limit of many vortices, BECs are known to form vortex crystal structures, whereby vortices tend to arrange themselves in a hexagonal-like spatial configuration. Using our asymptotic reduction, we derive the effective vortex crystal density and its radius. We also obtain an asymptotic estimate for the maximum number of vortices as a function of rotation rate. We extend considerations to the anisotropic trap case, confirming that a pair of vortices lying on the long (short) axis is linearly stable (unstable), corroborating the ODE reduction results with full PDE simulations. We then further investigate the many-vortex limit in the case of strong anisotropic potential. In this limit, the vortices tend to align themselves along the long axis, and we compute the effective one-dimensional vortex density, as well as the maximum admissible number of vortices. Detailed numerical simulations of the GP equation are used to confirm our analytical predictions.
Banavoth, Murali
2016-12-14
Hybrid organic-inorganic perovskite crystals have recently become one of the most important classes of photoactive materials in the solar cell and optoelectronic communities. Albeit improvements have focused on state-of-the-art technology including various fabrication methods, device architectures, and surface passivation, progress is yet to be made in understanding the actual operational temperature on the electronic properties and the device performances. Therefore, the substantial effect of temperature on the optoelectronic properties, charge separation, charge recombination dynamics, and photoconversion efficiency are explored. The results clearly demonstrated a significant enhancement in the carrier mobility, photocurrent, charge carrier lifetime, and solar cell performance in the 60 ± 5 °C temperature range. In this temperature range, perovskite crystal exhibits a highly symmetrical relaxed cubic structure with well-aligned domains that are perpendicular to a principal axis, thereby remarkably improving the device operation. This finding provides a new key variable component and paves the way toward using perovskite crystals in highly efficient photovoltaic cells.
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
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
Electric conductivity and lattice disorder of PbMoO4 crystals
International Nuclear Information System (INIS)
Bollmann, W.
1980-01-01
From differential thermal analysis (DTA), thermal etching, perfectly reversable redox treatments and electric conductivity it is concluded that the Pb/Mo ratio of the PbMoO 4 crystals is always 1 and that phase transitions do not occur. Pb 3+ ions detectable by an absorption band at 435 nm cause a p-conductivity due to the reaction Pb 3+ reversible Pb ++ + e + . At elevated temperatures the p-conductivity increases with increasing oxygen partial pressure of the surrouding atmosphere. The influence of foreign ions on the concentration of ionic and electronic defects in PbMoO 4 , CaMoO 4 , PbO, and PbTiO 3 can be explained by an anti-Frenkel disorder of the oxygen ion sublattice. For PbMoO 4 crystals the mobility O -- ion vacancies and the free formation enthalpy of anti-Frenkel defects are found to be vsub(v) = 9160/T exp (-1.15 eV/kT) cm 2 K/Vs and gsub(AF) = 3.6 kT - 2.2 eV, respectively. (author)
High resolution electron microscopy. Visualization of crystal lattices and of their defects
International Nuclear Information System (INIS)
Desseaux, J.
1981-10-01
A great number of fault characterization results may be obtained without calculations simply by observing the pictures: determination of Burgers' vector of dislocations, dissociation of the dislocations, presence of precipitates in the heart of the dislocations, presence of micro-twin-crystals, phase boundaries, etc. Determining the position of the atoms will be facilitated if the phase system approximation can be applied. In those cases where it is necessary to use the calculated image-experimental image comparison, it is fundamental to check the parameters on which the image depends. For the simplicity of the interpretation it is always necessary to obtain images taken in conditions where the structure is the most directly projected and where the image contrast is as stable as possible for a small variation in the parameters: thickness, focusing and crystalline parameters. A few examples are given on silicon [fr
Ion beam focusing by the atomic chains of a crystal lattice
International Nuclear Information System (INIS)
Shulga, V.I.
1975-01-01
A study is made of the focusing of a parallel ion beam by a pair of close packed atomic chains of a crystal. The focal length of this system has been calculated to the approximation of continuous potential of chain in the general form and also for a number of specific potentials of ion-atom interactions. Ar ion beam focusing by a Cu chain pair is discusssed in detail. For this case, the focal length has been calculated as a function of ion energy using the method of computer simulation of ion trajectories in the chain field. The calculations were made on the basis of the Born-Mayer potential with various constants. A pronounced dependence of focal length on the constant in this potential has been found. (author)
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
International Nuclear Information System (INIS)
Zmijarevic, I.
1980-01-01
Space-energy distribution of resonance neutrons in reactor lattice cell was determined by solving the Boltzmann equation by spherical harmonics method applying P-3 approximation. Computer code SPLET used for these calculations is described. Resonance absorption and calculation of resonance integrals are described as well. Effective resonance integral values for U-238 resonance at 6.7 Ev are calculated for heavy water reactor cell with metal, oxide and carbide fuel elements
Achari, Aniruddha; Roeber, Dana F.; Barnes, Cindy L.; Kundrot, Craig E.; Stinson, Thomas N. (Technical Monitor)
2002-01-01
Protein Crystallization Apparatus in Microgravity (PCAM) trays have been used in Shuttle missions to crystallize proteins in a microgravity environment. The crystallization experiments are 'sitting drops' similar to that in Cryschem trays, but the reservoir solution is soaked in a wick. From early 2001, crystallization experiments are conducted on the International Space Station using mission durations of months rather than two weeks on previous shuttle missions. Experiments were set up in April 2001 on Flight 6A to characterize the time crystallization experiments will take to reach equilibrium in a microgravity environment using salts, polyethylene glycols and an organic solvent as precipitants. The experiments were set up to gather data for a series of days of activation with different droplet volumes and precipitants. The experimental set up on ISS and results of this study will be presented. These results will help future users of PCAM to choose precipitants to optimize crystallization conditions for their target macromolecules for a particular mission with known mission duration. Changes in crystal morphology and size between the ground and space grown crystals of a protein and a protein -DNA complex flown on the same mission will also be presented.
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Souza, A.L.R.; Cassimiro, D.L.; Almeida, A.E.; Ribeiro, C.A.; Gremiao, M.P.D. [UNESP, Araraquara, SP (Brazil); Sarmento, V.H.V. [Universidade Federal de Sergipe (UFS), Itabaiana, SE (Brazil); Andreani, T.; Silva, A.M.; Souto, E.B. [Universidade de Tras-os-Montes e Alto Douro, Vila Real (Portugal)
2012-07-01
Full text: Praziquantel (PZQ) is the drug of choice for oral treatment of schistosomiasis and other fluke infections that affect humans. Its low oral bioavailability demands the development of innovative strategies to overcome the first pass metabolism. In this work, solid lipid nanoparticles loaded with PZQ (PZQ-SLN) were prepared by a modified oil-in-water microemulsion method selecting stearic acid as lipid phase after solubility screening studies. The mean particle size (Z-Ave) and zeta potential (ZP) were 500 nm and -34.0 mV, respectively. Morphology and shape of PZQ-SLN were analysed by scanning electron microscopy revealing the presence of spherical particles with smooth surface. Differential scanning calorimetry suggested that SLN comprised a less ordered arrangement of crystals and the drug was molecularly dispersed in the lipid matrix. No supercooled melts were detected. The entrapment efficiency (EE) and loading capacity of PZQ, determined by high performance liquid chromatography, were 99.0 and 17.5, respectively. Effective incorporation of PZQ into the particles was confirmed by small angle X-ray scattering revealing the presence of a lipid lamellar structure. Stability parameters of PZQ-SLN stored at room temperature (25 deg C) and at 4 deg C were checked by analysing Z-Ave, ZP and the EE for a period of 60 days Results showed a relatively long-term physical stability after storage at 4 deg C, without drug expulsion. (author)
Sancho-García, J. C.; Aragó, J.; Ortí, E.; Olivier, Y.
2013-05-01
The non-covalent interactions in organic molecules are known to drive their self-assembly to form molecular crystals. We compare, in the case of anthracene and against experimental (electronic-only) sublimation energy, how modern quantum-chemical methods are able to calculate this cohesive energy taking into account all the interactions between occurring dimers in both first-and second-shells. These include both O(N6)- and O(N5)-scaling methods, Local Pair Natural Orbital-parameterized Coupled-Cluster Single and Double, and Spin-Component-Scaled-Møller-Plesset perturbation theory at second-order, respectively, as well as the most modern family of conceived density functionals: double-hybrid expressions in several variants (B2-PLYP, mPW2-PLYP, PWPB95) with customized dispersion corrections (-D3 and -NL). All-in-all, it is shown that these methods behave very accurately producing errors in the 1-2 kJ/mol range with respect to the experimental value taken into account the experimental uncertainty. These methods are thus confirmed as excellent tools for studying all kinds of interactions in chemical systems.
International Nuclear Information System (INIS)
Souza, A.L.R.; Cassimiro, D.L.; Almeida, A.E.; Ribeiro, C.A.; Gremiao, M.P.D.; Sarmento, V.H.V.; Andreani, T.; Silva, A.M.; Souto, E.B.
2012-01-01
Full text: Praziquantel (PZQ) is the drug of choice for oral treatment of schistosomiasis and other fluke infections that affect humans. Its low oral bioavailability demands the development of innovative strategies to overcome the first pass metabolism. In this work, solid lipid nanoparticles loaded with PZQ (PZQ-SLN) were prepared by a modified oil-in-water microemulsion method selecting stearic acid as lipid phase after solubility screening studies. The mean particle size (Z-Ave) and zeta potential (ZP) were 500 nm and -34.0 mV, respectively. Morphology and shape of PZQ-SLN were analysed by scanning electron microscopy revealing the presence of spherical particles with smooth surface. Differential scanning calorimetry suggested that SLN comprised a less ordered arrangement of crystals and the drug was molecularly dispersed in the lipid matrix. No supercooled melts were detected. The entrapment efficiency (EE) and loading capacity of PZQ, determined by high performance liquid chromatography, were 99.0 and 17.5, respectively. Effective incorporation of PZQ into the particles was confirmed by small angle X-ray scattering revealing the presence of a lipid lamellar structure. Stability parameters of PZQ-SLN stored at room temperature (25 deg C) and at 4 deg C were checked by analysing Z-Ave, ZP and the EE for a period of 60 days Results showed a relatively long-term physical stability after storage at 4 deg C, without drug expulsion. (author)
Lattice dynamics of K{sub x}RhO{sub 2} single crystals
Energy Technology Data Exchange (ETDEWEB)
Zhang, Bin-Bin; Dong, Song-Tao; Lv, Yangyang; Yao, Shuhua, E-mail: shyao@nju.edu.cn; Zhang, Shan-Tao; Gu, Zheng-Bin; Zhou, Jian, E-mail: zhoujian@nju.edu.cn; Chen, Yan-Feng [National Laboratory of Solid State Microstructures and Department of Materials Science and Engineering, Nanjing University, Nanjing 210093 (China); Zhang, NaNa [College of Chemistry & Chemical and Environmental Engineering, Weifang University, Weifang, 261061 (China); Chen, Y. B. [National Laboratory of Solid State Microstructure and Department of Physics, Nanjing University, Nanjing 210093 (China); Guedes, Ilde [Departamento de Física, Universidade Federal do Ceará, Campus do Pici, CP 6030, Fortaleza CE 60455-760 (Brazil); Yu, Dehong [Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia)
2015-08-15
A series of crystals K{sub x}RhO{sub 2} (x = 0.72, 0.63, 0.55, 0.39, and 0.24) have been synthesized and their vibrational properties have been studied by first principles calculations, Raman spectroscopy, and inelastic neutron scattering. The measured vibrational spectra of K{sub x}RhO{sub 2} for x = 0.72 and 0.63 are consistent with the theoretical prediction for the stoichiometric KRhO{sub 2}. For samples with x = 0.55, 0.39 and 0.24, extra vibrational modes have been observed and they are believed to be due to the symmetry reduction and the loss of translational symmetry induced by K disorder. The good agreement was found for the phonon density of states among the Raman spectroscopic observations, inelastic neutron scattering and the first principles calculations, as an evidence for the generation of structure disorder by K deficiency.
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.
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.
Multiple channel space lattice focusing and features of its use in applied RF linac
International Nuclear Information System (INIS)
Kushin, V.; Plotnikov, S.; Zarubin, A.; Bondarev, B.; Durkin, A.
2000-01-01
Nowadays the use of multiple channel accelerator systems is well known with some hundred channels helps us to increase total beam intensity proportional to the number of channels while the divergence of the total beam is roughly equal to the divergence of single channel. The accelerator structure for multiple beam linac must provide both transversal and longitudinal stability for every small beam taking into account Coulomb interactions of all the micro beams. The most convenient for accelerator structures with 100 and more beams are the systems that use RF focusing such as RFQ, APF and DTL with rectangular profiles. The common disadvantage of all those systems is connected with decreasing of focusing forces of RF field with particle velocity increase. Our analysis shows that the disadvantage may be overcome in structures with rectangular profiles. For this purpose some additional thin (3-5 mm) focusing electrodes called space lattices (SL) must be arranged within accelerator gaps. The distance between these electrodes is chosen roughly equal to the thickness of additional electrodes. The number of the electrodes must be increased with length of accelerator gaps and may be equal n=1,2...6 and even more. The arrangement of n thin electrodes in accelerator gaps helps us to reach qualitative change of accelerator structure parameters. Firstly, they make n times amplification of the sign-alternate component of RF focusing field without appreciable influence to phasing action of accelerating field. Secondly, introducing of additional electrodes that divide the gap on n small accelerator gaps provides beams shielding from each other within the region of beam acceleration in RF fields between drift tubes. The analysis shows that if n=4-6, it is possible to reach transversal stability of all particles independently of their input phases in RF field. On the other hand, the analysis shows that adiabatic change of synchronous phase at the input stage of acceleration helps us
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.
Independent SU(2)-loop variables and the reduced configuration space of SU(2)-lattice gauge theory
International Nuclear Information System (INIS)
Loll, R.
1992-01-01
We give a reduction procedure for SU(2)-trace variables and an explicit description of the reduced configuration sace of pure SU(2)-gauge theory on the hypercubic lattices in two, three and four dimensions, using an independent subset of the gauge-invariant Wilson loops. (orig.)
Mechanics of Digital Lattice Materials for Re-configurable Space Structures
National Aeronautics and Space Administration — Because of the challenges associated with the inability to resupply for repair, future deep space exploration missions will require innovative material and...
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.
Neutron Diffusion in a Space Lattice of Fissionable and Absorbing Materials
Feynman, R. P.; Welton, T. A.
1946-08-27
Methods are developed for estimating the effect on a critical assembly of fabricating it as a lattice rather than in the more simply interpreted homogeneous manner. An idealized case is discussed supposing an infinite medium in which fission, elastic scattering and absorption can occur, neutrons of only one velocity present, and the neutron m.f.p. independent of position and equal to unity with the unit of length used.
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
DEFF Research Database (Denmark)
Poulsen, Jens-Christian Navarro; Harris, Pernille; Jensen, Kaj Frank
2001-01-01
with the inhibitor 1-(5'-phospho- -D-ribofuranosyl)barbituric acid crystallizes under similar conditions as the native enzyme. In contrast to the native enzyme, where the crystals belong to the orthorhombic space group P212121, the SeMet-substituted enzyme crystallizes in the monoclinic space group P21......-wavelength anomalous dispersion technique, both native and SeMet-substituted proteins have been produced and purified. During the production of SeMet ODCase, it was observed that SeMet was the only amino acid that it was necessary to add to the defined medium during expression. SeMet-substituted ODCase in complex...
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.
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.
Synthesis of spatially variant lattices.
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.
Abediseid, Walid
2012-12-21
The exact average complexity analysis of the basic sphere decoder for general space-time codes applied to multiple-input multiple-output (MIMO) wireless channel is known to be difficult. In this work, we shed the light on the computational complexity of sphere decoding for the quasi- static, lattice space-time (LAST) coded MIMO channel. Specifically, we drive an upper bound of the tail distribution of the decoder\\'s computational complexity. We show that when the computational complexity exceeds a certain limit, this upper bound becomes dominated by the outage probability achieved by LAST coding and sphere decoding schemes. We then calculate the minimum average computational complexity that is required by the decoder to achieve near optimal performance in terms of the system parameters. Our results indicate that there exists a cut-off rate (multiplexing gain) for which the average complexity remains bounded. Copyright © 2012 John Wiley & Sons, Ltd.
Energy Technology Data Exchange (ETDEWEB)
Dryzek, J [Institute of Nuclear Physics, Cracow (Poland)
1994-12-31
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.
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.)
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
Derivation of space groups in mm2, 222 and mmm crystal classes
International Nuclear Information System (INIS)
Nigam, G.D.
1987-08-01
An algebraic approach is developed to derive space groups using 4x4 Seitz matrices for the crystal classes mm2, 222 and mmm in the orthorhombic system. The advantage of the present method is that it is relatively simple and can be adapted to introduce space groups to beginners. One of the advantages of the present method is that it admits a geometrical visualization of the symmetry elements of space group. The method can easily be extended to other crystal classes in a straightforward way. 16 refs, 1 fig., 2 tabs
Nuclear design analysis of square-lattice honeycomb space nuclear rocket engine
International Nuclear Information System (INIS)
Widargo, Reza; Anghaie, Samim
1999-01-01
The square-lattice honeycomb reactor is designed based on a cylindrical core that is determined to have critical diameter and length of 0.50 m and 0.50 c, respectively. A 0.10-cm thick radial graphite reflector, in addition to a 0.20-m thick axial graphite reflector are used to reduce neutron leakage from the reactor. The core is fueled with solid solution of 93% enriched (U, Zr, Nb)C, which is one of several ternary uranium carbides that are considered for this concept. The fuel is to be fabricated as 2 mm grooved (U, Zr, Nb)C wafers. The fuel wafers are used to form square-lattice honeycomb fuel assemblies, 0.10 m in length with 30% cross-sectional flow area. Five fuel assemblies are stacked up axially to form the reactor core. Based on the 30% void fraction, the width of the square flow channel is about 1.3 mm. The hydrogen propellant is passed through these flow channels and removes the heat from the reactor core. To perform nuclear design analysis, a series of neutron transport and diffusion codes are used. The preliminary results are obtained using a simple four-group cross-section model. To optimize the nuclear design, the fuel densities are varied for each assembly. Tantalum, hafnium and tungsten are considered and used as a replacement for niobium in fuel material to provide water submersion sub-criticality for the reactor. Axial and radial neutron flux and power density distributions are calculated for the core. Results of the neutronic analysis indicate that the core has a relatively fast spectrum. From the results of the thermal hydraulic analyses, eight axial temperature zones are chosen for the calculation of group average cross-sections. An iterative process is conducted to couple the neutronic calculations with the thermal hydraulics calculations. Results of the nuclear design analysis indicate that a compact core can be designed based on ternary uranium carbide square-lattice honeycomb fuel. This design provides a relatively high thrust to weight
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.
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.
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
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.
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).
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).
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.
Design considerations for a Space Shuttle Main Engine turbine blade made of single crystal material
Abdul-Aziz, A.; August, R.; Nagpal, V.
1993-01-01
Nonlinear finite-element structural analyses were performed on the first stage high-pressure fuel turbopump blade of the Space Shuttle Main Engine. The analyses examined the structural response and the dynamic characteristics at typical operating conditions. Single crystal material PWA-1480 was considered for the analyses. Structural response and the blade natural frequencies with respect to the crystal orientation were investigated. The analyses were conducted based on typical test stand engine cycle. Influence of combined thermal, aerodynamic, and centrifugal loadings was considered. Results obtained showed that the single crystal secondary orientation effects on the maximum principal stresses are not highly significant.
Single crystal growth and characterization of kagomé-lattice shandites Co3Sn2-xInxS2
Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki
2015-09-01
Single crystals of the shandite-type half metallic ferromagnet Co3Sn2S2, and its In-substituted compounds, Co3Sn2-xInxS2 (0
Energy Technology Data Exchange (ETDEWEB)
Schaefer, Stefan [DESY (Germany). Neumann Inst. for Computing
2016-11-01
These configurations are currently in use in many on-going projects carried out by researchers throughout Europe. In particular this data will serve as an essential input into the computation of the coupling constant of QCD, where some of the simulations are still on-going. But also projects computing the masses of hadrons and investigating their structure are underway as well as activities in the physics of heavy quarks. As this initial project of gauge field generation has been successful, it is worthwhile to extend the currently available ensembles with further points in parameter space. These will allow to further study and control systematic effects like the ones introduced by the finite volume, the non-physical quark masses and the finite lattice spacing. In particular certain compromises have still been made in the region where pion masses and lattice spacing are both small. This is because physical pion masses require larger lattices to keep the effects of the finite volume under control. At light pion masses, a precise control of the continuum extrapolation is therefore difficult, but certainly a main goal of future simulations. To reach this goal, algorithmic developments as well as faster hardware will be needed.
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
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)
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).
Frequency distribution of the reduced unit cells of centred lattices from the Protein Data Bank.
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.
Lattice dynamics calculations based on density-functional perturbation theory in real space
Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias
2017-06-01
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered orbitals as basis functions is demonstrated exemplarily for the all-electron Fritz Haber Institute ab initio molecular simulations (FHI-aims) package. The convergence of the calculations with respect to numerical parameters is carefully investigated and a systematic comparison with finite-difference approaches is performed both for finite (molecules) and extended (periodic) systems. Finally, the scaling tests and scalability tests on massively parallel computer systems demonstrate the computational efficiency.
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
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.
Generation of symmetry coordinates for crystals using multiplier representations of the space groups
DEFF Research Database (Denmark)
Hansen, Flemming Yssing
1978-01-01
Symmetry coordinates play an important role in the normal-mode calculations of crystals. It is therefore of great importance to have a general method, which may be applied for any crystal at any wave vector, to generate these. The multiplier representations of the space groups as given by Kovalev...... and the projection-operator technique provide a basis for such a method. The method is illustrated for the nonsymmorphic D36 space group, and the theoretical background for the representations of space groups in general is reviewed and illustrated on the example above. It is desirable to perform the projection...... of symmetry coordinates in such a way that they may be used for as many wave vectors as possible. We discuss how to achieve this goal. The detailed illustrations should make it simple to apply the theory in any other case....
Energy Technology Data Exchange (ETDEWEB)
Amaya, Masaki, E-mail: amaya.masaki@jaea.go.j [Fuel Safety Research Group, Nuclear Safety Research Center, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Nakamura, Jinichi; Fuketa, Toyoshi [Fuel Safety Research Group, Nuclear Safety Research Center, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Kosaka, Yuji [Nuclear Development Corporation, 622-12, Funaishikawa, Tokai-mura, Naka-gun, Ibaraki 319-1111 (Japan)
2010-01-01
Two kinds of disk-shaped UO{sub 2} samples (4 mm in diameter and 1 mm in thickness) were irradiated in a test reactor up to about 60 and 130 GWd/t, respectively. The microstructures of the samples were investigated by means of optical microscopy, scanning electron microscopy/ electron probe micro-analysis (SEM/EPMA) and micro-X-ray diffractometry. The measured lattice parameters tended to be considerably smaller than the reported values, and the typical cauliflower structure which is often observed in high burnup fuel pellet is hardly seen in these samples. Thermal diffusivities of the samples were also measured by using a laser flash method, and their thermal conductivities were evaluated by multiplying the heat capacity of unirradiated UO{sub 2} and sample densities. While the thermal conductivities of sample 2 showed recovery after being annealed at 1500 K, those of sample 4 were not clearly observed even after being annealed at 1500 K. These trends suggest that the amount of accumulated irradiation-induced defects depends on the irradiation condition of each sample. From the comparison of the changes in the lattice parameter and strain energy density before and after the thermal diffusivity measurements, it is likely that the thermal conductivity recovery in the temperature region from 1200 to 1500 K is related to the migration of dislocation.
Czech Academy of Sciences Publication Activity Database
Landa, Michal; Sedlák, Petr; Novák, Václav; Šittner, Petr
2004-01-01
Roč. 42, č. 1 (2004), s. 519-526 ISSN 0041-624X Institutional research plan: CEZ:AV0Z2076919 Keywords : crystal acoustics * phase transitions * acoustoelasticity Subject RIV: JJ - Other Materials Impact factor: 1.175, year: 2004
Santini, Paolo Maria
2010-01-01
We propose an algorithmic procedure (i) to study the 'distance' between an integrable PDE and any discretization of it, in the small lattice spacing epsilon regime, and, at the same time, (ii) to test the (asymptotic) integrability properties of such discretization. This method should provide, in particular, useful and concrete information on how good is any numerical scheme used to integrate a given integrable PDE. The procedure, illustrated on a fairly general ten-parameter family of discretizations of the nonlinear Schrödinger equation, consists of the following three steps: (i) the construction of the continuous multiscale expansion of a generic solution of the discrete system at all orders in epsilon, following Degasperis et al (1997 Physica D 100 187-211) (ii) the application, to such an expansion, of the Degasperis-Procesi (DP) integrability test (Degasperis A and Procesi M 1999 Asymptotic integrability Symmetry and Perturbation Theory, SPT98, ed A Degasperis and G Gaeta (Singapore: World Scientific) pp 23-37 Degasperis A 2001 Multiscale expansion and integrability of dispersive wave equations Lectures given at the Euro Summer School: 'What is integrability?' (Isaac Newton Institute, Cambridge, UK, 13-24 August); Integrability (Lecture Notes in Physics vol 767) ed A Mikhailov (Berlin: Springer)), to test the asymptotic integrability properties of the discrete system and its 'distance' from its continuous limit; (iii) the use of the main output of the DP test to construct infinitely many approximate symmetries and constants of motion of the discrete system, through novel and simple formulas.
International Nuclear Information System (INIS)
Elezović-Hadžić, S; Živić, I
2013-01-01
We have studied the problem of force pulling self-interacting linear polymers situated in fractal containers that belong to the Sierpinski gasket (SG) family of fractals embedded in three-dimensional (3D) space. Each member of this family is labeled with an integer b (2 ≤ b ≤ ∞). The polymer chain is modeled by a self-avoiding walk (SAW) with one end anchored to one of the four boundary walls of the lattice, while the other (floating in the bulk of the fractal) is the position at which the force is acting. By applying an exact renormalization group (RG) method we have established the phase diagrams, including the critical force–temperature dependence, for fractals with b = 2,3 and 4. Also, for the same fractals, in all polymer phases, we examined the generating function G 1 for the numbers of all possible SAWs with one end anchored to the boundary wall. We found that besides the usual power-law singularity of G 1 , governed by the critical exponent γ 1 , whose specific values are worked out for all cases studied, in some regimes the function G 1 displays an essential singularity in its behavior. (paper)
International Nuclear Information System (INIS)
Santini, Paolo Maria
2010-01-01
We propose an algorithmic procedure (i) to study the 'distance' between an integrable PDE and any discretization of it, in the small lattice spacing ε regime, and, at the same time, (ii) to test the (asymptotic) integrability properties of such discretization. This method should provide, in particular, useful and concrete information on how good is any numerical scheme used to integrate a given integrable PDE. The procedure, illustrated on a fairly general ten-parameter family of discretizations of the nonlinear Schroedinger equation, consists of the following three steps: (i) the construction of the continuous multiscale expansion of a generic solution of the discrete system at all orders in ε, following Degasperis et al (1997 Physica D 100 187-211); (ii) the application, to such an expansion, of the Degasperis-Procesi (DP) integrability test (Degasperis A and Procesi M 1999 Asymptotic integrability Symmetry and Perturbation Theory, SPT98, ed A Degasperis and G Gaeta (Singapore: World Scientific) pp 23-37; Degasperis A 2001 Multiscale expansion and integrability of dispersive wave equations Lectures given at the Euro Summer School: 'What is integrability?' (Isaac Newton Institute, Cambridge, UK, 13-24 August); Integrability (Lecture Notes in Physics vol 767) ed A Mikhailov (Berlin: Springer)), to test the asymptotic integrability properties of the discrete system and its 'distance' from its continuous limit; (iii) the use of the main output of the DP test to construct infinitely many approximate symmetries and constants of motion of the discrete system, through novel and simple formulas.
International Nuclear Information System (INIS)
Terauchi, Masami; Takahashi, Mariko; Tanaka, Michiyoshi
1994-01-01
The convergent-beam electron diffraction (CBED) method for determining three-dimensional space groups is extended to the determination of the (3 + 1)-dimensional space groups for one-dimensional incommensurately modulated crystals. It is clarified than an approximate dynamical extinction line appears in the CBED discs of the reflections caused by an incommensurate modulation. The extinction enables the space-group determination of the (3 + 1)-dimensional crystals or the one-dimensional incommensurately modulated crystals. An example of the dynamical extinction line is shown using an incommensurately modulated crystal of Sr 2 Nb 2 O 7 . Tables of the dynamical extinction lines appearing in CBED patterns are given for all the (3 + 1)-dimensional space groups of the incommensurately modulated crystal. (orig.)
Time and space domain separation of pulsed X-ray beams diffracted from vibrating crystals
Energy Technology Data Exchange (ETDEWEB)
Nosik, V. L., E-mail: v-nosik@yandex.ru, E-mail: nosik@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” (Russian Federation)
2016-11-15
It is known that a set of additional reflections (satellites) may arise on rocking curves in the case of X-ray diffraction in the Bragg geometry from crystals where high-frequency ultrasonic vibrations are excited. It is shown that, under certain conditions, the pulse wave fields of the satellites and main reflection may be intersected in space (playing the role of pump and probe beams) and in time (forming interference superlattices).
International Nuclear Information System (INIS)
Creutz, M.
1983-04-01
In the last few years lattice gauge theory has become the primary tool for the study of nonperturbative phenomena in gauge theories. The lattice serves as an ultraviolet cutoff, rendering the theory well defined and amenable to numerical and analytical work. Of course, as with any cutoff, at the end of a calculation one must consider the limit of vanishing lattice spacing in order to draw conclusions on the physical continuum limit theory. The lattice has the advantage over other regulators that it is not tied to the Feynman expansion. This opens the possibility of other approximation schemes than conventional perturbation theory. Thus Wilson used a high temperature expansion to demonstrate confinement in the strong coupling limit. Monte Carlo simulations have dominated the research in lattice gauge theory for the last four years, giving first principle calculations of nonperturbative parameters characterizing the continuum limit. Some of the recent results with lattice calculations are reviewed
Yu, Tianbao; Huang, Jiehui; Liu, Nianhua; Yang, Jianyi; Liao, Qinghua; Jiang, Xiaoqing
2010-04-10
We propose and simulate a new kind of compact polarizing beam splitter (PBS) based on a photonic crystal ring resonator (PCRR) with complete photonic bandgaps. The two polarized states are separated far enough by resonant and nonresonant coupling between the waveguide modes and the microring modes. Some defect holes are utilized to control the beam propagation. The simulated results obtained by the finite-difference time-domain method show that high transmission (over 95%) is obtained and the polarization separation is realized with a length as short as 3.1 microm. The design of the proposed PBS can be flexible, thanks to the advantages of PCRRs.
International Nuclear Information System (INIS)
Baig, M.; Colet, J.
1986-01-01
Using Monte Carlo simulations the SU(2)xU(1) lattice gauge theory has been analyzed, which is equivalent for the Wilson action to a U(2) theory, at space-time dimensionalities from d=3 to 5. It has been shown that there exist first-order phase transitions for both d=4 and d=5. A monopole-condensation mechanism seems to be responsible for these phase transitions. At d=3 no phase transitions have been detected. (orig.)
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.
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.)
Lattices, supersymmetry and Kaehler fermions
International Nuclear Information System (INIS)
Scott, D.M.
1984-01-01
It is shown that a graded extension of the space group of a (generalised) simple cubic lattice exists in any space dimension, D. The fermionic variables which arise admit a Kaehlerian interpretation. Each graded space group is a subgroup of a graded extension of the appropriate Euclidean group, E(D). The relevance of this to the construction of lattice theories is discussed. (author)
Basis reduction for layered lattices
Torreão Dassen, Erwin
2011-01-01
We develop the theory of layered Euclidean spaces and layered lattices. We present algorithms to compute both Gram-Schmidt and reduced bases in this generalized setting. A layered lattice can be seen as lattices where certain directions have infinite weight. It can also be
Basis reduction for layered lattices
E.L. Torreão Dassen (Erwin)
2011-01-01
htmlabstractWe develop the theory of layered Euclidean spaces and layered lattices. With this new theory certain problems that usually are solved by using classical lattices with a "weighting" gain a new, more natural form. Using the layered lattice basis reduction algorithms introduced here these
Symmetry of semi-reduced lattices.
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.
Li, Feng; He, Menghui; Zhang, Xuedian; Chang, Min; Wu, Zhizheng; Liu, Zheng; Chen, Hua
2018-05-01
A high birefringence and ultra-high nonlinearity photonic crystal fiber (PCF) is proposed, which is composed of an elliptical As2Se3-doped core and an inner cladding with hexagonal lattice. Optical properties of the PCF are simulated by the full-vector finite element method. The simulation results show that the high birefringence of ∼0.33, ultra-high-nonlinearity coefficient of 300757 W-1km-1 and the low confinement loss can be achieved in the proposed PCF simultaneously at the wavelength of 1.55 μm. Furthermore, by comparison with the other two materials (80PbO•20Ga2O3, As2S3) filled in the core, the As2Se3-doped PCF is found to have the highest birefringence and nonlinearity due to its higher refractive index and nonlinear refractive index. The flattened dispersion feature, as well as the low confinement loss of the proposed PCF structure make it suitable as a wide range of applications, such as the coherent optical communications, polarization-maintaining and nonlinear optics, etc.
Perlovich, German L; Volkova, Tatyana V; Bauer-Brandl, Annette
2006-10-01
Temperature dependencies of saturated vapor pressure for the monoclinic modification of paracetamol (acetaminophen), acetanilide, and phenacetin (acetophenetidin) were measured and thermodynamic functions of sublimation calculated (paracetamol: DeltaGsub298=60.0 kJ/mol; DeltaHsub298=117.9+/-0.7 kJ/mol; DeltaSsub298=190+/-2 J/mol.K; acetanilide: DeltaGsub298=40.5 kJ/mol; DeltaHsub298=99.8+/-0.8 kJ/mol; DeltaSsub298=197+/-2 J/mol.K; phenacetin: DeltaGsub298=52.3 kJ/mol; DeltaHsub298=121.8+/-0.7 kJ/mol; DeltaSsub298=226+/-2 J/mol.K). Analysis of packing energies based on geometry optimization of molecules in the crystal lattices using diffraction data and the program Dmol3 was carried out. Parameters analyzed were: (a) energetic contribution of van der Waals forces and hydrogen bonding to the total packing energy; (b) contributions of fragments of the molecules to the packing energy. The fraction of hydrogen bond energy in the packing energy increases as: phenacetin (17.5%)acetanilide (20.4%)acetanilide and phenacetin, entropy driven. Copyright (c) 2006 Wiley-Liss, Inc. and the American Pharmacists Association
Room temperature single-crystal diffuse scattering and ab initio lattice dynamics in CaTiSiO5.
Gutmann, M J; Refson, K; Zimmermann, M V; Swainson, I P; Dabkowski, A; Dabkowska, H
2013-08-07
Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy x-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its origin to be primarily due to thermal motion of the atoms. Ab initio phonons are calculated using density-functional perturbation theory and are shown to reproduce the experimental diffuse scattering. The observed diffuse x-ray and neutron scattering patterns are consistent with a summation of mode frequencies and displacement eigenvectors associated with the entire phonon spectrum, rather than with a simple, short-range static displacement. A band gap is observed between 600 and 700 cm(-1) with only two modes crossing this region, both associated with antiferroelectric Ti-O motion along a. One of these modes (of Bu symmetry), displays a large LO-TO mode-splitting (562-701.4 cm(-1)) and has a dominant component coming from Ti-O bond-stretching and, thus, the mode-splitting is related to the polarizability of the Ti-O bonds along the chain direction. Similar mode-splitting is observed in piezo- and ferroelectric materials. The calculated phonon dispersion model may be of use to others in future to understand the phase transition at higher temperatures, as well as in the interpretation of measured phonon dispersion curves.
Energy Technology Data Exchange (ETDEWEB)
Anoardo, E.; Grinberg, F.; Vilfan, M.; Kimmich, R
2004-02-16
We present a study of the molecular dynamics in an octylcyanobiphenyl (8CB)-Aerosil complex above the bulk isotropization temperature. Using proton nuclear magnetic relaxation experiments in the laboratory frame (T{sub 1}{sup -1}) and in the rotating-frame (T{sub 1{rho}}{sup -1}), we found a notable increase of the relaxation rates in the kHz frequency range as compared to the bulk 8CB liquid crystal at the same temperature. The field-cycling technique was used for the laboratory frame experiments while a conventional apparatus was used for the rotating frame method. The observed behavior is analyzed with the aid of Monte Carlo simulations on the basis of a two-phase fast-exchange model distinguishing surface-ordered and bulk phases. Two processes affecting the low frequency relaxation could be identified: reorientation mediated by translational displacements, accounting for molecular reorientations, and exchange losses of molecules from the surface to the bulk.
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)
Lv, C L; Liu, Q B; Cai, C Y; Huang, J; Zhou, G W; Wang, Y G
2015-01-01
In the transmission electron microscopy, a revised real space (RRS) method has been confirmed to be a more accurate dynamical electron diffraction simulation method for low-energy electron diffraction than the conventional multislice method (CMS). However, the RRS method can be only used to calculate the dynamical electron diffraction of orthogonal crystal system. In this work, the expression of the RRS method for non-orthogonal crystal system is derived. By taking Na2 Ti3 O7 and Si as examples, the correctness of the derived RRS formula for non-orthogonal crystal system is confirmed by testing the coincidence of numerical results of both sides of Schrödinger equation; moreover, the difference between the RRS method and the CMS for non-orthogonal crystal system is compared at the accelerating voltage range from 40 to 10 kV. Our results show that the CMS method is almost the same as the RRS method for the accelerating voltage above 40 kV. However, when the accelerating voltage is further lowered to 20 kV or below, the CMS method introduces significant errors, not only for the higher-order Laue zone diffractions, but also for zero-order Laue zone. These indicate that the RRS method for non-orthogonal crystal system is necessary to be used for more accurate dynamical simulation when the accelerating voltage is low. Furthermore, the reason for the increase of differences between those diffraction patterns calculated by the RRS method and the CMS method with the decrease of the accelerating voltage is discussed. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.
Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu
2014-07-01
A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.
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
DEFF Research Database (Denmark)
Risager, Morten S.; Södergren, Carl Anders
2017-01-01
It is well known that the angles in a lattice acting on hyperbolic n -space become equidistributed. In this paper we determine a formula for the pair correlation density for angles in such hyperbolic lattices. Using this formula we determine, among other things, the asymptotic behavior of the den......It is well known that the angles in a lattice acting on hyperbolic n -space become equidistributed. In this paper we determine a formula for the pair correlation density for angles in such hyperbolic lattices. Using this formula we determine, among other things, the asymptotic behavior...... of the density function in both the small and large variable limits. This extends earlier results by Boca, Pasol, Popa and Zaharescu and Kelmer and Kontorovich in dimension 2 to general dimension n . Our proofs use the decay of matrix coefficients together with a number of careful estimates, and lead...
International Nuclear Information System (INIS)
Chodos, A.
1978-01-01
A version of lattice gauge theory is presented in which the shape of the lattice is not assumed at the outset but is a consequence of the dynamics. Other related features which are not specified a priori include the internal and space-time symmetry groups and the dimensionality of space-time. The theory possesses a much larger invariance group than the usual gauge group on a lattice, and has associated with it an integer k 0 analogous to the topological quantum numer of quantum chromodynamics. Families of semiclassical solutions are found which are labeled by k 0 and a second integer x, but the analysis is not carried far enough to determine which space-time and internal symmetry groups characterize the lowest-lying states of the theory
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...
Anomalous temperature dependence of layer spacing of de Vries liquid crystals: Compensation model
Energy Technology Data Exchange (ETDEWEB)
Merkel, K. [Central Mining Institute, Katowice 40-166 (Poland); Kocot, A. [Institute of Physics, Silesian University, Katowice 40-007 (Poland); Vij, J. K., E-mail: jvij@tcd.ie [Department of Electronic and Electrical Engineering, Trinity College, The University of Dublin, Dublin 2 (Ireland); Stevenson, P. J.; Panov, A.; Rodriguez, D. [School of Chemistry and Chemical Engineering, Queens University Belfast, Belfast BT7 1NN, Northern Ireland (United Kingdom)
2016-06-13
Smectic liquid crystals that exhibit temperature independent layer thickness offer technological advantages for their use in displays and photonic devices. The dependence of the layer spacing in SmA and SmC phases of de Vries liquid crystals is found to exhibit distinct features. On entering the SmC phase, the layer thickness initially decreases below SmA to SmC (T{sub A–C}) transition temperature but increases anomalously with reducing temperature despite the molecular tilt increasing. This anomalous observation is being explained quantitatively. Results of IR spectroscopy show that layer shrinkage is caused by tilt of the mesogen's rigid core, whereas the expansion is caused by the chains getting more ordered with reducing temperature. This mutual compensation arising from molecular fragments contributing to the layer thickness differs from the previous models. The orientational order parameter of the rigid core of the mesogen provides direct evidence for de Vries cone model in the SmA phase for the two compounds investigated.
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
International Nuclear Information System (INIS)
Chadderton, L.T.; Johnson, E.; Wohlenberg, T.
1976-01-01
Void lattices in metals apparently owe their stability to elastically anisotropic interactions. An ordered array of voids on the anion sublattice in fluorite does not fit so neatly into this scheme of things. Crowdions may play a part in the formation of the void lattice, and stability may derive from other sources. (Auth.)
International Nuclear Information System (INIS)
Randjbar-Daemi, S.
1995-12-01
The so-called doubling problem in the lattice description of fermions led to a proof that under certain circumstances chiral gauge theories cannot be defined on the lattice. This is called the no-go theorem. It implies that if Γ/sub/A is defined on a lattice then its infrared limit, which should correspond to the quantum description of the classical action for the slowly varying fields on lattice scale, is inevitably a vector like theory. In particular, if not circumvented, the no-go theorem implies that there is no lattice formulation of the Standard Weinberg-Salam theory or SU(5) GUT, even though the fermions belong to anomaly-free representations of the gauge group. This talk aims to explain one possible attempt at bypassing the no-go theorem. 20 refs
Energy Technology Data Exchange (ETDEWEB)
Randjbar-Daemi, S
1995-12-01
The so-called doubling problem in the lattice description of fermions led to a proof that under certain circumstances chiral gauge theories cannot be defined on the lattice. This is called the no-go theorem. It implies that if {Gamma}/sub/A is defined on a lattice then its infrared limit, which should correspond to the quantum description of the classical action for the slowly varying fields on lattice scale, is inevitably a vector like theory. In particular, if not circumvented, the no-go theorem implies that there is no lattice formulation of the Standard Weinberg-Salam theory or SU(5) GUT, even though the fermions belong to anomaly-free representations of the gauge group. This talk aims to explain one possible attempt at bypassing the no-go theorem. 20 refs.
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.
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
Falin, M L; Latypov, V A; Leushin, A M
2003-01-01
SrF sub 2 and BaF sub 2 crystals, doped with the Yb sup 3 sup + ions, have been investigated by electron paramagnetic resonance and optical spectroscopy. As-grown crystals of SrF sub 2 and BaF sub 2 show the two paramagnetic centres for the cubic (T sub c) and trigonal (T sub 4) symmetries of the Yb sup 3 sup + ions. Empirical diagrams of the energy levels were established and the potentials of the crystal field were determined. Information was obtained on the SrF sub 2 and BaF sub 2 phonon spectra from the electron-vibrational structure of the optical spectra. The crystal field parameters were used to analyse the crystal lattice distortions in the vicinity of the impurity ion and the F sup - ion compensating for the excess positive charge in T sub 4. Within the frames of a superposition model, it is shown that three F sup - ions from the nearest surrounding cube, located symmetrically with respect to the C sub 3 axis from the side of the ion-compensator, approach the impurity ion and cling to the axis of the...
Characterization of the Protein Crystal Growth Apparatus for Microgravity Aboard the Space Station
Kundrot, Craig E.; Roeber, D.; Achari, A.; Stinson, Thomas N. (Technical Monitor)
2002-01-01
We have conducted experiments to determine the equilibration rates of some major precipitants used in protein crystallography aboard the International Space Station (ISS). The solutions were placed in the Protein Crystallization Apparatus for Microgravity (PCAM) which mimic Cryschem sitting drop trays. The trays were placed in cylinders. These cylinders were placed inside a Single locker Thermal Enclosure System (STES), and were activated for different durations during the flight. Bumpers pressed against elastomers seal drops in a deactivated state during pre-flight and prior to transfer to the ISS. Activation occurs while in flight on the ISS by releasing the bumpers allowing the drops to be exposed to the reservoir. PCAM was flown to the ISS on STS 100, Flight 6A, on April 19, 2001. Six series of equilibration experiments were tested for each precipitant with a small amount of Green Fluorescent Protein (GFP). Cylinder 10 was never activated, 7 was activated for 40 days, 8 was activated for 20 days, 9 was activated for 10 days, 11 was activated for 4 days and 12 was activated for 2 days. Upon the return to Earth by STS 104 on July 24,2001 the samples were transferred to Marshall Space Flight Center. The samples were then brought to the lab and the volumes of each sample were measured.
Fazio, A.; Harries, D.; Matthäus, G.; Mutschke, H.; Nolte, S.; Langenhorst, F.
2018-01-01
Space weathering is one of the most common surface process occurring on atmosphere-free bodies such as asteroids and the Moon. It is caused mainly by solar wind irradiation and the impact of micrometeoroids. In order to simulate space weathering effects, in particular those produced by hypervelocity impacts, we produced microcraters via ultra-short (∼100 fs) laser irradiation of crystallographically oriented slices of forsterite-rich (Fo94.7) olivine. The main advantages of the application of a femtosecond laser radiation to reproduce the space weathering effects are (1) the high peak irradiance (1015 W cm-2), which generates the propagation of the shock wave at the nanosecond timescale (i.e., timescale of the micrometeoroid impacts); (2) the rapid transfer of energy to the target material, which avoids the interaction of laser light with the developing vapor plume; (3) a small laser beam, which allows the effects of a single impact to be simulated. The results of our spectroscopic and electron microscopic investigation validate this approach: the samples show strong darkening and reddening of the reflectance spectra and structural damages similar to the natural microcraters found on regolith grains of the Moon and asteroid 25143 Itokawa. Detailed investigations of several microcrater cross-sections by transmission electron microscopy allowed the detection of shock-induced defect microstructures. From the top to the bottom of the grain, the shock wave causes evaporation, melting, solid-state recrystallization, misorientation, fracturing, and the propagation of dislocations with Burgers vectors parallel to [001]. The formation of a short-lived vapor plume causes the kinetic fractionation of the gas and the preferential loss of lighter elements, mostly magnesium and oxygen. The high temperatures within the melt layer and the kinetic loss of oxygen promote the thermal reduction of iron and nickel, which leads to the formation of metallic nanoparticles (npFe0). The
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
Harding, E C; Ao, T; Bailey, J E; Loisel, G; Sinars, D B; Geissel, M; Rochau, G A; Smith, I C
2015-04-01
The application of a space-resolving spectrometer to X-ray Thomson Scattering (XRTS) experiments has the potential to advance the study of warm dense matter. This has motivated the design of a spherical crystal spectrometer, which is a doubly focusing geometry with an overall high sensitivity and the capability of providing high-resolution, space-resolved spectra. A detailed analysis of the image fluence and crystal throughput in this geometry is carried out and analytical estimates of these quantities are presented. This analysis informed the design of a new spectrometer intended for future XRTS experiments on the Z-machine. The new spectrometer collects 6 keV x-rays with a spherically bent Ge (422) crystal and focuses the collected x-rays onto the Rowland circle. The spectrometer was built and then tested with a foam target. The resulting high-quality spectra prove that a spherical spectrometer is a viable diagnostic for XRTS experiments.
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
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.
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
International Nuclear Information System (INIS)
Smith, L.
1975-01-01
An analysis is given of a number of variants of the basic lattice of the planned ISABELLE storage rings. The variants were formed by removing cells from the normal part of the lattice and juggling the lengths of magnets, cells, and insertions in order to maintain a rational relation of circumference to that of the AGS and approximately the same dispersion. Special insertions, correction windings, and the working line with nonlinear resonances are discussed
Directory of Open Access Journals (Sweden)
Razin Alexander F.
2017-01-01
Full Text Available A new approach to the simulation of the heat state of the compartment of lattice polymer composite materials (PCM, not providing for the use of known commercial software packages, has been proposed. The simulation has been performed using the PCM interstage of the Proton rocket as an example with due account of aerodynamic heating, solar radiation and acting of jets of auxiliary propulsion units. At the first stage of numerical analysis, a problem of unsteady heat conduction in the system “skin-air gap-heat insulation” has been solved. An effect of changing a pressure inside a compartment on thermal conductivity of heat insulation was taken into account. The effective thermal conductivity in gaps was used. An effect of a temperature of equipment on a value of radiant heat flux was also taken into account. At the second stage, the heat state of the system “skin-rib” was analyzed. A mathematical model in the form of a system of nonlinear equations for heat balance of control elements on which a rib and a skin section were partitioned, including an information about a temperature of heat insulation received at the first stage of the simulation, was used.
Tallarita, Gianni; Peterson, Adam
2018-04-01
We perform a numerical study of the phase diagram of the model proposed in [M. Shifman, Phys. Rev. D 87, 025025 (2013)., 10.1103/PhysRevD.87.025025], which is a simple model containing non-Abelian vortices. As per the case of Abrikosov vortices, we map out a region of parameter space in which the system prefers the formation of vortices in ordered lattice structures. These are generalizations of Abrikosov vortex lattices with extra orientational moduli in the vortex cores. At sufficiently large lattice spacing the low energy theory is described by a sum of C P (1 ) theories, each located on a vortex site. As the lattice spacing becomes smaller, when the self-interaction of the orientational field becomes relevant, only an overall rotation in internal space survives.
Energy Technology Data Exchange (ETDEWEB)
Catterall, Simon; Kaplan, David B.; Unsal, Mithat
2009-03-31
We provide an introduction to recent lattice formulations of supersymmetric theories which are invariant under one or more real supersymmetries at nonzero lattice spacing. These include the especially interesting case of N = 4 SYM in four dimensions. We discuss approaches based both on twisted supersymmetry and orbifold-deconstruction techniques and show their equivalence in the case of gauge theories. The presence of an exact supersymmetry reduces and in some cases eliminates the need for fine tuning to achieve a continuum limit invariant under the full supersymmetry of the target theory. We discuss open problems.
Computing the writhe on lattices
International Nuclear Information System (INIS)
Laing, C; Sumners, D W
2006-01-01
Given a polygonal closed curve on a lattice or space group, we describe a method for computing the writhe of the curve as the average of weighted projected writhing numbers of the polygon in a few directions. These directions are determined by the lattice geometry, the weights are determined by areas of regions on the unit 2-sphere, and the regions are formed by the tangent indicatrix to the polygonal curve. We give a new formula for the writhe of polygons on the face centred cubic lattice and prove that the writhe of polygons on the body centred cubic lattice, the hexagonal simple lattice, and the diamond space group is always a rational number, and discuss applications to ring polymers
High precision study of the space distribution of the colour flux in the SU(2) lattice gauge theory
International Nuclear Information System (INIS)
Haymaker, R.W.; Peng Yingcai; Singh, V.; Wosiek, J.
1990-01-01
The work of the Cracow-LSU collaboration on the space structure of the colour fields around the static charges is reported. We find that the large cancellations between the electric and magnetic energy densities lead to a narrow tube. (orig.)
On the performance of diagonal lattice space-time codes for the quasi-static MIMO channel
Abediseid, Walid; Alouini, Mohamed-Slim
2013-01-01
There has been tremendous work done on designing space-time codes for the quasi-static multiple-input multiple-output (MIMO) channel. All the coding design to date focuses on either high-performance, high rates, low complexity encoding and decoding
Lattice QCD. A critical status report
Energy Technology Data Exchange (ETDEWEB)
Jansen, Karl
2008-10-15
The substantial progress that has been achieved in lattice QCD in the last years is pointed out. I compare the simulation cost and systematic effects of several lattice QCD formulations and discuss a number of topics such as lattice spacing scaling, applications of chiral perturbation theory, non-perturbative renormalization and finite volume effects. Additionally, the importance of demonstrating universality is emphasized. (orig.)
Lattice QCD. A critical status report
International Nuclear Information System (INIS)
Jansen, Karl
2008-10-01
The substantial progress that has been achieved in lattice QCD in the last years is pointed out. I compare the simulation cost and systematic effects of several lattice QCD formulations and discuss a number of topics such as lattice spacing scaling, applications of chiral perturbation theory, non-perturbative renormalization and finite volume effects. Additionally, the importance of demonstrating universality is emphasized. (orig.)
Yang, Ping; Liu, Huajun; Chen, Zuhuang; Chen, Lang; Wang, John
2013-01-01
A new approach, based on reciprocal space vectors (RSVs), is developed to determine Bravais lattice types and accurate lattice parameters of epitaxial thin films by high-resolution X-ray diffractometry (HR-XRD). The lattice parameters of single crystal substrates are employed as references to correct the systematic experimental errors of RSVs of thin films. The general procedure is summarized, involving correction of RSVs, derivation of raw unit cell, subsequent conversion to the Niggli unit ...
Czech Academy of Sciences Publication Activity Database
Kovaleva, Natalia; Kusmartseva, O.E.; Kugel, K.I.; Maksimov, A.A.; Nuzhnyy, Dmitry; Balbashov, A.M.; Demikhov, E.I.; Dejneka, Alexandr; Trepakov, Vladimír; Kusmartsev, F.V.; Stoneham, A.M.
2013-01-01
Roč. 25, č. 15 (2013), s. 1-8 ISSN 0953-8984 R&D Projects: GA TA ČR TA01010517 Institutional research plan: CEZ:AV0Z10100522 Keywords : quantum lattice effects * LaMnO 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.223, year: 2013
van der Beek, C. J.; Indenbom, M. V.; Berseth, V.; Benoit, W.; Erb, A.; Flükiger, R.
1997-08-01
The anisotropy in the transverse AC susceptibility of YBa2Cu3O7-δ single crystals, induced by the periodic appearance of a force-free current configuration upon rotation of a superimposed DC field in the crystal plane, disappears at the vortex phase transition, indicating the loss of the vortex lines' stability against mutual cutting.
International Nuclear Information System (INIS)
Beckman, S.P.; Chelikowsky, James R.
2007-01-01
The structure and properties of vacancies in a 2 nm Si nano-crystal are studied using a real space density functional theory/pseudopotential method. It is observed that a vacancy's electronic properties and energy of formation are directly related to the local symmetry of the vacancy site. The formation energy for vacancies and Frenkel pair are calculated. It is found that both defects have lower energy in smaller crystals. In a 2 nm nano-crystal the energy to form a Frenkel pair is 1.7 eV and the energy to form a vacancy is no larger than 2.3 eV. The energy barrier for vacancy diffusion is examined via a nudged elastic band algorithm
Zeng, Lunwu; Xu, Jin; Wang, Chengen; Zhang, Jianhua; Zhao, Yuting; Zeng, Jing; Song, Runxia
2017-12-07
When space (time) translation symmetry is spontaneously broken, the space crystal (time crystal) forms; when permittivity and permeability periodically vary with space (time), the photonic crystal (photonic time crystal) forms. We proposed the concept of photonic time crystal and rewritten the Maxwell's equations. Utilizing Finite Difference Time Domain (FDTD) method, we simulated electromagnetic wave propagation in photonic time crystal and photonic space-time crystal, the simulation results show that more intensive scatter fields can obtained in photonic time crystal and photonic space-time crystal.
International Nuclear Information System (INIS)
Catterall, Simon
2013-01-01
Discretization of supersymmetric theories is an old problem in lattice field theory. It has resisted solution until quite recently when new ideas drawn from orbifold constructions and topological field theory have been brought to bear on the question. The result has been the creation of a new class of lattice gauge theory in which the lattice action is invariant under one or more supersymmetries. The resultant theories are local and free of doublers and in the case of Yang-Mills theories also possess exact gauge invariance. In principle they form the basis for a truly non-perturbative definition of the continuum supersymmetric field theory. In this talk these ideas are reviewed with particular emphasis being placed on N = 4 super Yang-Mills theory.
Statistical hydrodynamics of lattice-gas automata
Grosfils, Patrick; Boon, Jean-Pierre; Brito López, Ricardo; Ernst, M. H.
1993-01-01
We investigate the space and time behavior of spontaneous thermohydrodynamic fluctuations in a simple fluid modeled by a lattice-gas automaton and develop the statistical-mechanical theory of thermal lattice gases to compute the dynamical structure factor, i.e., the power spectrum of the density correlation function. A comparative analysis of the theoretical predictions with our lattice gas simulations is presented. The main results are (i) the spectral function of the lattice-gas fluctuation...
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.)
Irradiation-induced displacement of Ag atoms from lattice sites in an Al-0.2% Mg-0.1% Ag crystal
International Nuclear Information System (INIS)
Swanson, M.L.; Howe, L.M.; Quenneville, A.F.
1976-01-01
In irradiated alloys of Al containing approximately 0.1 at% Ag, the backscattering - channelling method shows that Al-Ag dumbells are created by the trapping of Al interstitial atoms at Ag solute atoms. The present results demonstrate that the addition of 0.2 at% Mg to such irradiated alloys retards not only the formation of Al-Ag dumbells during annealing from 30 to 100 K but also their annihilation during annealing from 180 to 240 K. Al interstitials are released from Mg traps at 100 to 160 K, causing further trapping at Ag atoms. Approximately 70% of the Ag atoms return to lattice sites at approximately 200 K (stage III) (compared with 100% in the Al-0.1% Ag alloys) and the remainder return to lattice sites at approximately 260 K. These results favour migration of Al-Ag dumbells rather than vacancies during stage III annealing. (author)
Sadowski, W.; Hagemann, H.; François, M.; Bill, H.; Peter, M.; Walker, E.; Yvon, K.
1990-09-01
We report on the growth of Nd 2- xCe xCuO 4- δ single crystals (0590(18) Å). Room temperature Raman spectra reveal a new band at 320 cm -1 which is not observed in Nd 2CuO 4. Raman spectra of crystals with Tc ranging from 7 to 22 K show a systematic intensity change of the broad band at 590 cm -1.
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.
International Nuclear Information System (INIS)
Creutz, M.
1984-01-01
After reviewing some recent developments in supercomputer access, the author discusses a few areas where perturbation theory and lattice gauge simulations make contact. The author concludes with a brief discussion of a deterministic dynamics for the Ising model. This may be useful for numerical studies of nonequilibrium phenomena. 13 references
Single Crystals Grown Under Unconstrained Conditions
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).
Unquenched lattice upsilon spectroscopy
International Nuclear Information System (INIS)
Marcantonio, L.M.
2001-03-01
A non-relativistic effective theory of QCD (NRQCD) is used in calculations of the upsilon spectrum. Simultaneous multi-correlation fitting routines are used to yield lattice channel energies and amplitudes. The lattice configurations used were both dynamical, with two flavours of sea quarks included in the action; and quenched, with no sea quarks. These configurations were generated by the UKQCD collaboration. The dynamical configurations used were ''matched'', having the same lattice spacing, but differing in the sea quark mass. Thus, it was possible to analyse trends of observables with sea quark mass, in the certainty that the trend isn't partially due to varying lattice spacing. The lattice spacing used for spectroscopy was derived from the lattice 1 1 P 1 - 1 3 S 1 splitting. On each set of configurations two lattice bare b quark masses were used, giving kinetic masses bracketing the physical Υ mass. The only quantity showing a strong dependence on these masses was the hyperfine splitting, so it was interpolated to the real Υ mass. The radial and orbital splittings gave good agreement with experiment. The hyperfine splitting results showed a clear signal for unquenching and the dynamical hyperfine splitting results were extrapolated to a physical sea quark mass. This result, combined with the quenched result yielded a value for the hyperfine splitting at n f = 3, predicting an η b mass of 9.517(4) GeV. The NRQCD technique for obtaining a value of the strong coupling constant in the M-barS-bar scheme was followed. Using quenched and dynamical results a value was extrapolated to n f = 3. Employing a three loop beta function to run the coupling, with suitable matching conditions at heavy quark thresholds, the final result was obtained for n f = 5 at a scale equal to the Z boson mass. This result was α(5)/MS(Mz)=0.110(4). Two methods for finding the mass of the b quark in the MS scheme were employed. The results of both methods agree within error but the
International Nuclear Information System (INIS)
Bowler, Ken
1990-01-01
One of the major recent developments in particle theory has been the use of very high performance computers to obtain approximate numerical solutions of quantum field theories by formulating them on a finite space-time lattice. The great virtue of this new technique is that it avoids the straitjacket of perturbation theory and can thus attack new, but very fundamental problems, such as the calculation of hadron masses in quark-gluon field theory (quantum chromodynamics - QCD)
Instantons and topological charge in lattice gauge theory
International Nuclear Information System (INIS)
Iwasaki, Y.; Yoshie, T.
1983-01-01
The existence of instantons on the lattice in SU(2) lattice gauge theory is investigated for various lattice actions with loops of up to six lattice spacings. Instantons exist only for the actions where short range fluctuations are suppressed. A formula for topological properties of the solutions are examined. (orig.)
Transmission Electron Microscope Measures Lattice Parameters
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.
Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase
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
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.
Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase.
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.
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
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
International Nuclear Information System (INIS)
Chotiyarnwong, Pojchong; Stewart-Jones, Guillaume B.; Tarry, Michael J.; Dejnirattisai, Wanwisa; Siebold, Christian; Koch, Michael; Stuart, David I.; Harlos, Karl; Malasit, Prida; Screaton, Gavin; Mongkolsapaya, Juthathip; Jones, E. Yvonne
2007-01-01
Crystals of an MHC class I molecule bound to naturally occurring peptide variants from the dengue virus NS3 protein contained high levels of solvent and required optimization of cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process facilitated by the use of a free-mounting system. T-cell recognition of the antigenic peptides presented by MHC class I molecules normally triggers protective immune responses, but can result in immune enhancement of disease. Cross-reactive T-cell responses may underlie immunopathology in dengue haemorrhagic fever. To analyze these effects at the molecular level, the functional MHC class I molecule HLA-A*1101 was crystallized bound to six naturally occurring peptide variants from the dengue virus NS3 protein. The crystals contained high levels of solvent and required optimization of the cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process that was facilitated by the use of a free-mounting system
Energy Technology Data Exchange (ETDEWEB)
Chotiyarnwong, Pojchong [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Stewart-Jones, Guillaume B.; Tarry, Michael J. [Division of Structural Biology and Oxford Protein Production Facility (OPPF), The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, Oxford OX3 7BN (United Kingdom); Dejnirattisai, Wanwisa [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Siebold, Christian; Koch, Michael; Stuart, David I.; Harlos, Karl [Division of Structural Biology and Oxford Protein Production Facility (OPPF), The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, Oxford OX3 7BN (United Kingdom); Malasit, Prida [Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Medical Biotechnology Unit, National Center for Genetic Engineering and Biotechnology (BIOTEC), National Science and Technology Development Agency, Pathumthani, Bangkok (Thailand); Screaton, Gavin [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Mongkolsapaya, Juthathip, E-mail: j.mongkolsapaya@imperial.ac.uk [Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom); Medical Molecular Biology Unit, Faculty of Medicine, Siriraj Hospital, Mahidol University (Thailand); Jones, E. Yvonne, E-mail: j.mongkolsapaya@imperial.ac.uk [Division of Structural Biology and Oxford Protein Production Facility (OPPF), The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Headington, Oxford OX3 7BN (United Kingdom); Department of Immunology, Division of Medicine, Hammersmith Hospital, Imperial College, London (United Kingdom)
2007-05-01
Crystals of an MHC class I molecule bound to naturally occurring peptide variants from the dengue virus NS3 protein contained high levels of solvent and required optimization of cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process facilitated by the use of a free-mounting system. T-cell recognition of the antigenic peptides presented by MHC class I molecules normally triggers protective immune responses, but can result in immune enhancement of disease. Cross-reactive T-cell responses may underlie immunopathology in dengue haemorrhagic fever. To analyze these effects at the molecular level, the functional MHC class I molecule HLA-A*1101 was crystallized bound to six naturally occurring peptide variants from the dengue virus NS3 protein. The crystals contained high levels of solvent and required optimization of the cryoprotectant and dehydration protocols for each complex to yield well ordered diffraction, a process that was facilitated by the use of a free-mounting system.
Solórzano, S.; Mendoza, M.; Succi, S.; Herrmann, H. J.
2018-01-01
We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta retained in the discretization, which also determines the accuracy of the method. The Wigner equation is equipped with an additional collision operator, designed in such a way as to ensure numerical stability without affecting the evolution of the relevant moments of the Wigner function. The lattice Wigner scheme is validated for the case of quantum harmonic and anharmonic potentials, showing good agreement with theoretical results. It is further applied to the study of the transport properties of one- and two-dimensional open quantum systems with potential barriers. Finally, the computational viability of the scheme for the case of three-dimensional open systems is also illustrated.
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...
Fractional Quantum Field Theory: From Lattice to Continuum
Directory of Open Access Journals (Sweden)
Vasily E. Tarasov
2014-01-01
Full Text Available An approach to formulate fractional field theories on unbounded lattice space-time is suggested. A fractional-order analog of the lattice quantum field theories is considered. Lattice analogs of the fractional-order 4-dimensional differential operators are proposed. We prove that continuum limit of the suggested lattice field theory gives a fractional field theory for the continuum 4-dimensional space-time. The fractional field equations, which are derived from equations for lattice space-time with long-range properties of power-law type, contain the Riesz type derivatives on noninteger orders with respect to space-time coordinates.
Entropy-driven crystal formation on highly strained substrates
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.
Ishak, Siti Nor Hasmah; Aris, Sayangku Nor Ariati Mohamad; Halim, Khairul Bariyyah Abd; Ali, Mohd Shukuri Mohamad; Leow, Thean Chor; Kamarudin, Nor Hafizah Ahmad; Masomian, Malihe; Rahman, Raja Noor Zaliha Raja Abd
2017-09-25
Less sedimentation and convection in a microgravity environment has become a well-suited condition for growing high quality protein crystals. Thermostable T1 lipase derived from bacterium Geobacillus zalihae has been crystallized using the counter diffusion method under space and earth conditions. Preliminary study using YASARA molecular modeling structure program for both structures showed differences in number of hydrogen bond, ionic interaction, and conformation. The space-grown crystal structure contains more hydrogen bonds as compared with the earth-grown crystal structure. A molecular dynamics simulation study was used to provide insight on the fluctuations and conformational changes of both T1 lipase structures. The analysis of root mean square deviation (RMSD), radius of gyration, and root mean square fluctuation (RMSF) showed that space-grown structure is more stable than the earth-grown structure. Space-structure also showed more hydrogen bonds and ion interactions compared to the earth-grown structure. Further analysis also revealed that the space-grown structure has long-lived interactions, hence it is considered as the more stable structure. This study provides the conformational dynamics of T1 lipase crystal structure grown in space and earth condition.
Transmission electron microscopy: direct observation of crystal structure in refractory ceramics.
Shaw, T M; Thomas, G
1978-11-10
Using high-resolution multibeam interference techniques in the transmission electron microscope, images have been obtained that make possible a real-space structure analysis of a beryllium-silicon-nitrogen compound. The results illustrate the usefulness of lattice imaging in the analysis of local crystal structure in these technologically promising ceramic materials.
Crystal and molecular structure of tetrathiocyanato tetrakis (triphenylphosphine oxide)uranium(IV)
Energy Technology Data Exchange (ETDEWEB)
Bombieri, G; De Paoli, G; Forsellini, E [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi; Brown, D
1979-01-01
The crystal structure of the title compound has been determined from three dimensional X-ray diffraction data. The space group and lattice parameters are given. The asymmetric unit comprises two independent U(NCS)/sub 4/(tppo)/sub 4/ molecules in each of which the coordination polyhedron around the uranium atom is close to square antiprismatic.
Liu, Tuo; Zhu, Xuefeng; Chen, Fei; Liang, Shanjun; Zhu, Jie
2018-03-01
Exploring the concept of non-Hermitian Hamiltonians respecting parity-time symmetry with classical wave systems is of great interest as it enables the experimental investigation of parity-time-symmetric systems through the quantum-classical analogue. Here, we demonstrate unidirectional wave vector manipulation in two-dimensional space, with an all passive acoustic parity-time-symmetric metamaterials crystal. The metamaterials crystal is constructed through interleaving groove- and holey-structured acoustic metamaterials to provide an intrinsic parity-time-symmetric potential that is two-dimensionally extended and curved, which allows the flexible manipulation of unpaired wave vectors. At the transition point from the unbroken to broken parity-time symmetry phase, the unidirectional sound focusing effect (along with reflectionless acoustic transparency in the opposite direction) is experimentally realized over the spectrum. This demonstration confirms the capability of passive acoustic systems to carry the experimental studies on general parity-time symmetry physics and further reveals the unique functionalities enabled by the judiciously tailored unidirectional wave vectors in space.
International Nuclear Information System (INIS)
Faehrmann, M.; Wolf, J.G.; Pollock, T.M.
1996-01-01
Lattice mismatch in multicomponent high refractory single-crystalline Ni-base superalloys has been measured in situ by hot-stage X-ray diffraction. Prior to X-ray examination, all samples were subjected to long-term aging treatments at 1120 C to relieve coherency stresses. The resolution of the individual γ and γ' peaks at high Bragg angles in the X-ray spectra and the magnitude of the misfit was found to be sensitive to the microstructure of the material. When the precipitation of coherent γ' during cooling from the aging temperature could largely be suppressed, the corresponding matrix peaks were narrower and of higher intensity as compared with samples where cooling γ'was present. Also, a slightly larger misfit, 0.04%, was measured in the microstructures where the cooling γ' was not present. Procedures for deconvoluting X-ray data are outlined in detail, and the experimental results are discussed in terms of changes in phase compositions and misfit strains produced by the cooling γ'. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Rahnamaye Aliabad, H.A. [Department of Physics, Hakim Sabzevari University, Sabzevar (Iran, Islamic Republic of); Vaezi, Hamide [Department of Physics, Khayyam Institute of Higher Education, Mashhad (Iran, Islamic Republic of); Basirat, Shiva [Department of Physics, Payame Noor University of Mashhad, Mashhad (Iran, Islamic Republic of); Ahmad, Iftikhar [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Abbottabad University of Science and Technology, Havelian (Pakistan)
2017-07-17
The electronical and optical properties of CdGa{sub 2}S{sub 4} under high pressures were studied using the full potential linearized augmented plane wave (FP-LAPW) method within the GGA and mBJ exchange correlation potentials from 0.0 to 16.92 GPa. The obtained results show that the lattice constants, bandgap values, and optoelectronic properties are sensitive to applied external pressures. The mBJ results indicate that the bandgap increases and the static dielectric constants decrease with increasing the pressure. The two none zero dielectric tensor components show considerable anisotropy between the perpendicular and parallel components. The maximum absorption for x direction in all pressures takes place in vacuum UV region. Also, the plasma frequency shifts to the higher energies with increasing the pressure for application in optical devices. The calculated results by mBJ are in close agreement with the experimental values. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Introduction to lattice gauge theory
International Nuclear Information System (INIS)
Gupta, R.
1987-01-01
The lattice formulation of Quantum Field Theory (QFT) can be exploited in many ways. We can derive the lattice Feynman rules and carry out weak coupling perturbation expansions. The lattice then serves as a manifestly gauge invariant regularization scheme, albeit one that is more complicated than standard continuum schemes. Strong coupling expansions: these give us useful qualitative information, but unfortunately no hard numbers. The lattice theory is amenable to numerical simulations by which one calculates the long distance properties of a strongly interacting theory from first principles. The observables are measured as a function of the bare coupling g and a gauge invariant cut-off ≅ 1/α, where α is the lattice spacing. The continuum (physical) behavior is recovered in the limit α → 0, at which point the lattice artifacts go to zero. This is the more powerful use of lattice formulation, so in these lectures the author focuses on setting up the theory for the purpose of numerical simulations to get hard numbers. The numerical techniques used in Lattice Gauge Theories have their roots in statistical mechanics, so it is important to develop an intuition for the interconnection between quantum mechanics and statistical mechanics. This will be the emphasis of the first lecture. In the second lecture, the author reviews the essential ingredients of formulating QCD on the lattice and discusses scaling and the continuum limit. In the last lecture the author summarizes the status of some of the main results. He also mentions the bottlenecks and possible directions for research. 88 refs
Lattice continuum and diffusional creep.
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.
Fujiwara, Takahisa; Suzuki, Yoshihisa; Yoshizaki, Izumi; Tsukamoto, Katsuo; Murayama, Kenta; Fukuyama, Seijiro; Hosokawa, Kouhei; Oshi, Kentaro; Ito, Daisuke; Yamazaki, Tomoya; Tachibana, Masaru; Miura, Hitoshi
2015-08-01
The normal growth rates of the {110} faces of tetragonal hen egg-white lysozyme crystals, R, were measured as a function of the supersaturation σ parameter using a reflection type interferometer under μG at the International Space Station (NanoStep Project). Since water slightly evaporated from in situ observation cells during a long-term space station experiment for several months, equilibrium temperature T(e) changed, and the actual σ, however, significantly increased mainly due to the increase in salt concentration C(s). To correct σ, the actual C(s) and protein concentration C(p), which correctly represent the measured T(e) value in space, were first calculated. Second, a new solubility curve with the corrected C(s) was plotted. Finally, the revised σ was obtained from the new solubility curve. This correction method successfully revealed that the 2.8% water was evaporated from the solution, leading to 2.8% increase in the C(s) and C(p) of the solution.
Dielectric lattice gauge theory
International Nuclear Information System (INIS)
Mack, G.
1983-06-01
Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)epsilong that are attached to the links b = (x+esub(μ),x) of the lattice and take their values in the linear space g which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)osub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportionalosub(i)osub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson loop expectation values show an area law decay, if the Euclidean action has certain qualitative features which imply that PHI = 0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)
Dielectric lattice gauge theory
International Nuclear Information System (INIS)
Mack, G.
1984-01-01
Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)element ofG that are attached to the links b = (x+esub(μ), x) of the lattice and take their values in the linear space G which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)sigmasub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportional sigmasub(i)sigmasub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder-Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson-loop expectation values show an area law decay, if the euclidean action has certain qualitative features which imply that PHI=0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)
Lattice instability and soft phonons in single-crystal La/sub 2-//sub x/Sr/sub x/CuO4
International Nuclear Information System (INIS)
Boeni, P.; Axe, J.D.; Shirane, G.
1988-01-01
The dispersion of the low-lying phonon branches of several doped and undoped single crystals of La/sub 2-//sub x/Sr/sub x/CuO 4 have been investigated by using inelastic-neutron-scattering techniques. The zone-center modes are in good agreement with Raman measurements. The reported peaks in the phonon density of states show up at energies that correspond to extrema in the dispersion curves of the transverse and longitudinal acoustic branches near the zone boundary. The tetragonal-to-orthorhombic phase transition is caused by a softening of transverse-optic-phonon mode at the X point. The rotational nature of the soft mode leads to moderate weak electron-phonon coupling and the mode is unlikely to enhance significantly conventional phonon mediated superconductivity. We did not observe any evidence for the predicted breathing-mode instability near the zone boundary
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.
Lattice Waves, Spin Waves, and Neutron Scattering
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)
Light Hadron Spectroscopy on course lattices with
Lee, F
1999-01-01
The masses and dispersions of light hadrons are calculated in lattice QCD using an O(a sup 2) tadpole-improved gluon action and an O(a sup 2) tadpole-improved next-nearest-neighbor fermion action originally proposed by Hamber and Wu. Two lattices of constant volume with lattice spacings of approximately 0.40 fm and 0.24 fm are considered. The results reveal some scaling violations at the coarser lattice spacing on the order of 5%. At the finer lattice spacing, the nucleon to rho mass ratio reproduces state-of-the-art results using unimproved actions. Good dispersion and rotational invariance up to momenta of pa approx = 1 are also found. The relative merit of alternative choices for improvement operators is assessed through close comparisons with other plaquette-based tadpole-improved actions.
Lattice Transparency of Graphene.
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.
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
Energy Technology Data Exchange (ETDEWEB)
Palancher, H., E-mail: herve.palancher@cea.fr; Martin, G.; Fouet, J. [CEA, DEN, DEC, F-13108 Saint Paul lez Durance (France); Goudeau, P. [Institut Pprime, CNRS-Université de Poitiers–ENSMA, SP2MI, F-86360 Chasseneuil (France); Boulle, A. [Science des Procédés Céramiques et Traitements de Surface (SPCTS), CNRS UMR 7315, Centre Européen de la Céramique, 12 rue Atlantis, 87068 Limoges (France); Rieutord, F. [CEA, DSM, INAC, F-38054 Grenoble Cedex 9 (France); Favre-Nicolin, V. [Université Grenoble-Alpes, F-38041 Grenoble, France, Institut Universitaire de France, F-75005 Paris (France); Blanc, N. [Institut NEEL, CNRS-Univ Grenoble Alpes, F-38042 Grenoble (France); Onofri, C. [CEA, DEN, DEC, F-13108 Saint Paul lez Durance (France); CEMES, CNRS UPR 8011, 29 rue Jeanne Marvig, BP 94347, 31055 Toulouse Cedex 4 (France)
2016-01-18
The determination of the state of strain in implanted materials is a key issue in the study of their mechanical stability. Whereas this question is nowadays relatively easily solved in the case of single crystals, it remains a challenging task in the case of polycrystalline materials. In this paper, we take benefit of the intense and parallel beams provided by third generation synchrotron sources combined with a two-dimensional detection system to analyze individual grains in polycrystals, hence obtaining “single crystal-like” data. The feasibility of the approach is demonstrated with implanted UO{sub 2} polycrystals where the in-depth strain profile is extracted for individual grains using numerical simulations of the diffracted signal. The influence of the implantation dose is precisely analyzed for several diffracting planes and grains. This work suggests that, at low fluences, the development of strain is mainly due to ballistic effects with little effect from He ions, independently from the crystallographic orientation. At higher fluences, the evolution of the strain profiles suggests a partial and anisotropic plastic relaxation. With the present approach, robust and reliable structural information can be obtained, even from complex polycrystalline ceramic materials.
An Application of Linear Algebra over Lattices
Directory of Open Access Journals (Sweden)
M. Hosseinyazdi
2008-03-01
Full Text Available In this paper, first we consider L n as a semimodule over a complete bounded distributive lattice L. Then we define the basic concepts of module theory for L n. After that, we proved many similar theorems in linear algebra for the space L n. An application of linear algebra over lattices for solving linear systems, was given
An Application of Linear Algebra over Lattices
M. Hosseinyazdi
2008-01-01
In this paper, first we consider L n as a semimodule over a complete bounded distributive lattice L. Then we define the basic concepts of module theory for L n. After that, we proved many similar theorems in linear algebra for the space L n. An application of linear algebra over lattices for solving linear systems, was given
Chimera states in Gaussian coupled map lattices
Li, Xiao-Wen; Bi, Ran; Sun, Yue-Xiang; Zhang, Shuo; Song, Qian-Qian
2018-04-01
We study chimera states in one-dimensional and two-dimensional Gaussian coupled map lattices through simulations and experiments. Similar to the case of global coupling oscillators, individual lattices can be regarded as being controlled by a common mean field. A space-dependent order parameter is derived from a self-consistency condition in order to represent the collective state.
Crystal structure and crystal growth of the polar ferrimagnet CaBaFe4O7
Perry, R. S.; Kurebayashi, H.; Gibbs, A.; Gutmann, M. J.
2018-05-01
Magnetic materials are a cornerstone for developing spintronic devices for the transport of information via magnetic excitations. To date, relatively few materials have been investigated for the purpose of spin transport, mostly due to the paucity of suitable candidates as these materials are often chemically complex and difficult to synthesize. We present the crystal growth and a structure solution on the high-temperature crystal structure of the layered, polar ferrimagnet CaBaFe4O7 , which is a possible new contender for spintronics research. The space group is identified as P 3 by refinement of single crystal and powder neutron diffraction data. At 400 K, the trigonal lattice parameters are a =11.0114 (11 )Å and c =10.330 (3 )Å . The structure is similar to the low-temperature phase with alternating layers of triangular and Kagome-arranged Fe-O tetrahedra. We also present details of the crystal growth by traveling solvent method.
International Nuclear Information System (INIS)
Goldman, A.I.; Kreyssig, A.; Prokes, K.; Pratt, D.K.; Argyriou, D.N.; Lynn, J.W.; Nandi, S.; Kimber, S.A.J.; Chen, Y.; Lee, Y.B.; Samolyuk, G.; Leao, J.B.; Poulton, S.J.; Bud'ko, S.L.; Ni, N.; Canfield, P.C.; Harmon, B.N.; McQueeney, R.J.
2009-01-01
Single-crystal neutron and high-energy x-ray diffraction measurements have identified the phase lines corresponding to transitions among the ambient-pressure paramagnetic tetragonal (T), the antiferromagnetic orthorhombic (O), and the nonmagnetic collapsed tetragonal (cT) phases of CaFe 2 As 2 . We find no evidence of additional structures for pressures of up to 2.5 GPa (at 300 K). Both the T-cT and O-cT transitions exhibit significant hysteresis effects, and we demonstrate that coexistence of the O and cT phases can occur if a nonhydrostatic component of pressure is present. Measurements of the magnetic diffraction peaks show no change in the magnetic structure or ordered moment as a function of pressure in the O phase, and we find no evidence of magnetic ordering in the cT phase. Band-structure calculations show that the transition into the cT phase results in a strong decrease in the iron 3d density of states at the Fermi energy, consistent with a loss of the magnetic moment.
Energy Technology Data Exchange (ETDEWEB)
Fillaux, François, E-mail: francois.fillaux@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 8233, MONARIS, F-7505 Paris (France); Cousson, Alain, E-mail: alain-f.cousson@cea.fr [Laboratoire Léon Brillouin (CEA-CNRS), C.E. Saclay, 91191 Gif-sur-Yvette cedex (France)
2016-11-10
Highlights: • Proton transfer and tautomerism are revisited from quantum viewpoint. • Neutron-diffraction gives evidence for long-range correlations for protons. • We introduce a decoherence-free macroscopic-scale crystal-state. • All observations accord with the principle of complementarity. • Computational-chemistry models are inappropriate. - Abstract: Measurements via different techniques of the crystal of benzoic acid have led to conflicting conceptions of tautomerism: statistical disorder for diffraction; semiclassical jumps for relaxometry; quantum states for vibrational spectroscopy. We argue that these conflicts follow from the prejudice that nuclear positions and eigenstates are pre-existing to measurements, what is at variance with the principle of complementarity. We propose a self-contained quantum theory. First of all, new single-crystal neutron-diffraction data accord with long-range correlation for proton-site occupancies. Then we introduce a macroscopic-scale quantum-state emerging from phonon condensation, for which nuclear positions and eigenstates are indefinite. As to quantum-measurements, an incoming wave (neutron or photon) entangled with the condensate realizes a transitory state, either in the space of static nuclear-coordinates (diffraction), or in that of the symmetry coordinates (spectroscopy and relaxometry). We derive temperature-laws for proton-site occupancies and for the relaxation rate, which compare favorably with measurements.
International Nuclear Information System (INIS)
Mack, G.
1982-01-01
After a description of a pure Yang-Mills theory on a lattice, the author considers a three-dimensional pure U(1) lattice gauge theory. Thereafter he discusses the exact relation between lattice gauge theories with the gauge groups SU(2) and SO(3). Finally he presents Monte Carlo data on phase transitions in SU(2) and SO(3) lattice gauge models. (HSI)
Kondo length in bosonic lattices
Giuliano, Domenico; Sodano, Pasquale; Trombettoni, Andrea
2017-09-01
Motivated by the fact that the low-energy properties of the Kondo model can be effectively simulated in spin chains, we study the realization of the effect with bond impurities in ultracold bosonic lattices at half filling. After presenting a discussion of the effective theory and of the mapping of the bosonic chain onto a lattice spin Hamiltonian, we provide estimates for the Kondo length as a function of the parameters of the bosonic model. We point out that the Kondo length can be extracted from the integrated real-space correlation functions, which are experimentally accessible quantities in experiments with cold atoms.
Lattices with unique complements
Saliĭ, V N
1988-01-01
The class of uniquely complemented lattices properly contains all Boolean lattices. However, no explicit example of a non-Boolean lattice of this class has been found. In addition, the question of whether this class contains any complete non-Boolean lattices remains unanswered. This book focuses on these classical problems of lattice theory and the various attempts to solve them. Requiring no specialized knowledge, the book is directed at researchers and students interested in general algebra and mathematical logic.
Bayesian Analysis of Geostatistical Models With an Auxiliary Lattice
Park, Jincheol; Liang, Faming
2012-01-01
of observations is large. In this article, we propose an auxiliary lattice-based approach for tackling this difficulty. By introducing an auxiliary lattice to the space of observations and defining a Gaussian Markov random field on the auxiliary lattice, our model
Twisted mass lattice QCD with non-degenerate quark masses
International Nuclear Information System (INIS)
Muenster, Gernot; Sudmann, Tobias
2006-01-01
Quantum Chromodynamics on a lattice with Wilson fermions and a chirally twisted mass term is considered in the framework of chiral perturbation theory. For two and three numbers of quark flavours, respectively, with non-degenerate quark masses the pseudoscalar meson masses and decay constants are calculated in next-to-leading order including lattice effects quadratic in the lattice spacing a
Status and future of lattice gauge theory
International Nuclear Information System (INIS)
Hoek, J.
1989-07-01
The current status of lattice Quantum Chromo Dynamics (QCD) calculations, the computer requirements to obtain physical results and the direction computing is taking are described. First of all, there is a lot of evidence that QCD is the correct theory of strong interactions. Since it is an asymptotically free theory we can use perturbation theory to solve it in the regime of very hard collisions. However even in the case of very hard parton collisions the end-results of the collisions are bound states of quarks and perturbation theory is not sufficient to calculate these final stages. The way to solve the theory in this regime was opened by Wilson. He contemplated replacing the space-time continuum by a discrete lattice, with a lattice spacing a. Continuum physics is then recovered in the limit where the correlation length of the theory, say ξ. is large with respect to the lattice spacing. This will be true if the lattice spacing becomes very small, which for asymptotically free theories also implies that the coupling g becomes small. The lattice approach to QCD is in many respects analogous to the use of finite element methods to solve classical field theories. These finite element methods are easy to apply in 2-dimensional simulations but are computationally demanding in the 3-dimensional case. Therefore it is not unexpected that the 4-dimensional simulations needed for lattice gauge theories have led to an explosion in demand for computing power by theorists. (author)
Plasticity size effects in voided crystals
DEFF Research Database (Denmark)
Hussein, M. I.; Borg, Ulrik; Niordson, Christian Frithiof
singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation and strain......The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation the dislocations are all of edge character and are modelled as line...... predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model chosen to be $0.325\\mu m$ (around ten times the slip plane spacing in the discrete dislocation models)....
Plasticity size effects in voided crystals
DEFF Research Database (Denmark)
Hussein, M.I.; Borg, Ulrik; Niordson, Christian Frithiof
2008-01-01
as line singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation......The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation, the dislocations are all of edge character and are modelled...... between predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model is chosen to be 0.325 mu m (about 10 times the slip plane spacing in the discrete dislocation models)....
Predicting lattice thermal conductivity with help from ab initio methods
Broido, David
2015-03-01
The lattice thermal conductivity is a fundamental transport parameter that determines the utility a material for specific thermal management applications. Materials with low thermal conductivity find applicability in thermoelectric cooling and energy harvesting. High thermal conductivity materials are urgently needed to help address the ever-growing heat dissipation problem in microelectronic devices. Predictive computational approaches can provide critical guidance in the search and development of new materials for such applications. Ab initio methods for calculating lattice thermal conductivity have demonstrated predictive capability, but while they are becoming increasingly efficient, they are still computationally expensive particularly for complex crystals with large unit cells . In this talk, I will review our work on first principles phonon transport for which the intrinsic lattice thermal conductivity is limited only by phonon-phonon scattering arising from anharmonicity. I will examine use of the phase space for anharmonic phonon scattering and the Grüneisen parameters as measures of the thermal conductivities for a range of materials and compare these to the widely used guidelines stemming from the theory of Liebfried and Schölmann. This research was supported primarily by the NSF under Grant CBET-1402949, and by the S3TEC, an Energy Frontier Research Center funded by the US DOE, office of Basic Energy Sciences under Award No. DE-SC0001299.
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.
Energy Technology Data Exchange (ETDEWEB)
Louis-Achille, V
1999-07-01
Studies of natural and synthetic apatites allow to propose such crystals as matrix for nuclear waste storage. The neodymium substituted britholite, Ca{sub 9}Nd(PO{sub 4}){sub 5}(SiO{sub 4})F{sub 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{sub 9}(PO{sub 4}){sub 6}F{sub 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{sub 4} and ScPO{sub 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
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.
Inter-grain coupling and grain charge in dusty plasma Coulomb crystals
International Nuclear Information System (INIS)
Smith, M. A.; Goodrich, J.; Mohideen, U.; Rahman, H. U.; Rosenberg, M.; Mendis, D. A.
1998-01-01
We have studied the lattice structure and grain charge 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 inter-grain 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
Energy Technology Data Exchange (ETDEWEB)
Kim, Ji-Su; Kim, Yeong-Cheol [Korea University of Technology and Education, Cheonan (Korea, Republic of)
2017-01-15
We investigated the equilibrium crystal shape of BaZrO{sub 3} and the space charge formation in an O-terminated (011) surface by using ab-initio thermodynamics. Twenty-two low-indexed (001), (011), and (111) surfaces were calculated to analyze their surface Gibbs-free energy under the stable condition of BaZrO{sub 3}. Based on the Gibbs-Wulff theorem, the equilibrium crystal shape of BaZrO{sub 3} changed from cubic to decaoctahedral with decreasing Ba chemical potential. The dominant facets of BaZrO{sub 3} were {001} and {011}, which were well consistent with experimental observations. The space charge formation in the (011) surface was evaluated using the space-charge model. We found that the (011) surface was even more resistive than the (001) surface.
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.)
A vector lattice version of Radström's embedding theorem
African Journals Online (AJOL)
Radström's embedding theorem for 'near vector spaces', which are essentially vector spaces without additive inverses, is extended to embeddings of 'near vector lattices', which are essentially vector lattices without additive inverses, into vector lattices. If the 'near vector space' is endowed with a metric, properties on the ...
New integrable lattice hierarchies
International Nuclear Information System (INIS)
Pickering, Andrew; Zhu Zuonong
2006-01-01
In this Letter we give a new integrable four-field lattice hierarchy, associated to a new discrete spectral problem. We obtain our hierarchy as the compatibility condition of this spectral problem and an associated equation, constructed herein, for the time-evolution of eigenfunctions. We consider reductions of our hierarchy, which also of course admit discrete zero curvature representations, in detail. We find that our hierarchy includes many well-known integrable hierarchies as special cases, including the Toda lattice hierarchy, the modified Toda lattice hierarchy, the relativistic Toda lattice hierarchy, and the Volterra lattice hierarchy. We also obtain here a new integrable two-field lattice hierarchy, to which we give the name of Suris lattice hierarchy, since the first equation of this hierarchy has previously been given by Suris. The Hamiltonian structure of the Suris lattice hierarchy is obtained by means of a trace identity formula
Stable narrow spacing dual-wavelength Q-switched graphene oxide embedded in a photonic crystal fiber
International Nuclear Information System (INIS)
Ahmad, H; Soltanian, M R K; Alimadad, M; Harun, S W
2014-01-01
An ultra-stable dual-wavelength saturable absorber based on a cladding-embedded commercial graphene oxide (GO) solution by capillary action in a solid core photonic crystal fiber (PCF) is demonstrated for the first time. The saturation absorption property is achieved through evanescent coupling between the guided light and the cladding-filled graphene layers. Stable spacing dual-wavelength fiber lasing is attained by controlling the polarization state of a simple 0.9 m long ring of highly doped Leikki Er80-8/125 erbium-doped fiber as the primary gain medium with PCF, polarization controller and tunable bandpass filter. Embedded GO is used to generate the desired pulsed output, and the laser is capable of generating pulses having a repetition rate of 24 kHz with an average output power and pulse energy of 0.167 mW and 8.98 nJ, respectively, at the maximum pump power of 220 mW. (paper)
Dacuña, Javier
2012-09-06
We used a mobility edge transport model and solved the drift-diffusion equation to characterize the space-charge-limited current of a rubrene single-crystal hole-only diode. The current-voltage characteristics suggest that current is injection-limited at high voltage when holes are injected from the bottom contact (reverse bias). In contrast, the low-voltage regime shows that the current is higher when holes are injected from the bottom contact as compared to hole injection from the top contact (forward bias), which does not exhibit injection-limited current in the measured voltage range. This behavior is attributed to an asymmetric distribution of trap states in the semiconductor, specifically, a distribution of traps located near the top contact. Accounting for a localized trap distribution near the contact allows us to reproduce the temperature-dependent current-voltage characteristics in forward and reverse bias simultaneously, i.e., with a single set of model parameters. We estimated that the local trap distribution contains 1.19×1011 cm -2 states and decays as exp(-x/32.3nm) away from the semiconductor-contact interface. The local trap distribution near one contact mainly affects injection from the same contact, hence breaking the symmetry in the charge transport. The model also provides information of the band mobility, energy barrier at the contacts, and bulk trap distribution with their corresponding confidence intervals. © 2012 American Physical Society.
Energy Technology Data Exchange (ETDEWEB)
Timofeev, V. I., E-mail: tostars@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Chupova, L. A.; Esipov, R. S. [Russian Academy of Sciences, Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry (Russian Federation); Kuranova, I. P. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
2015-09-15
Crystals of M. tuberculosis phosphopantetheine adenylyltransferase were grown in microgravity by the capillary counter-diffusion method through a gel layer. The X-ray diffraction data set suitable for the determination of the three-dimensional structure at atomic resolution was collected from one crystal at the Spring-8 synchrotron facility to 2.00-Å resolution. The crystals belong to sp. gr. P3{sub 2} and have the following unit-cell parameters: a = b = 106.47 Å, c = 71.32 Å, α = γ = 90°, β = 120°. The structure was solved by the molecular-replacement method. There are six subunits of the enzyme comprising a hexamer per asymmetric unit. The hexamer is a biologically active form of phosphopantetheine adenylyltransferase from M. tuberculosis.
A lattice approach to spinorial quantum gravity
Renteln, Paul; Smolin, Lee
1989-01-01
A new lattice regularization of quantum general relativity based on Ashtekar's reformulation of Hamiltonian general relativity is presented. In this form, quantum states of the gravitational field are represented within the physical Hilbert space of a Kogut-Susskind lattice gauge theory. The gauge field of the theory is a complexified SU(2) connection which is the gravitational connection for left-handed spinor fields. The physical states of the gravitational field are those which are annihilated by additional constraints which correspond to the four constraints of general relativity. Lattice versions of these constraints are constructed. Those corresponding to the three-dimensional diffeomorphism generators move states associated with Wilson loops around on the lattice. The lattice Hamiltonian constraint has a simple form, and a correspondingly simple interpretation: it is an operator which cuts and joins Wilson loops at points of intersection.
Lattices for the TRIUMF KAON factory
International Nuclear Information System (INIS)
Servranckx, R.V.; Craddock, M.K.
1989-09-01
Separated-function racetrack lattices have been developed for the KAON Factory accelerators that have more flexibility than the old circular lattices. The arcs of the large rings have a regular FODO structure with a superimposed six-fold symmetric modulation of the betafunction in order to raise γ t to infinity. Straight sections with zero dispersion are provided for rf cavities and fast injection and extraction, and with controlled dispersion for H - injection and slow extraction. For the small rings, sixfold symmetric circular lattices with high γ t are retained. In the Accumulator lattice, a straight section with double waist and controlled η function allows for H - injection and phase-space painting. The ion-optical properties of the lattices and the results from tracking studies are discussed
Energy Technology Data Exchange (ETDEWEB)
Volgmann, Kai Tristan
2016-07-29
Low-dimensional diffusion was investigated to improve the understanding of the fundamentals of ion movement in condensed matter. Different model systems with different dimensionality of cation migration pathways were investigated using solidstate nuclear magnetic resonance (NMR) spectroscopy and impedance spectroscopy. Both experimental methods made it possible to complementarily study both Li and Na mobility over a wide range of jump rates. Metallic lithium as a well-known model system for isotropic diffusion was investigated using {sup 7}Li field-cycling NMR. The spin-lattice relaxation (SLR) rates were separated into an electronic contribution and a diffusion-induced contribution. The Korringa product was calculated from the actual measurements. The main focus was the comparison of different theoretical models describing the Li motion in metallic lithium. The well-known model by Bloembergen, Purcell and Pound already reproduced the data well, but two models by Sholl improved the results taking into account the type of crystal lattice and jump correlation effects. A single-vacancy diffusion mechanism was observed, but a double-vacancy mechanism was not excluded as elevated temperatures near the melting point of lithium were not available. Li{sub 0.7}Nb{sub 3}S{sub 4} is isostructural to Li{sub 0.7}Nb{sub 3}Se{sub 4} which was reported as possible 1D Li ion conductor due to its channel structure. Thus, Li{sub 0.7}Nb{sub 3}S{sub 4} was investigated as 1D model system using solid-state NMR spectroscopy. Multinuclear NMR spectroscopy gave insights into structural properties. Li dynamics was observed by several NMR methods over a wide temperature range. {sup 7}Li NMR motional narrowing led to an estimate of the activation energy for local Li hopping. {sup 7}Li NMR spin-alignment echo (SAE) was used for the determination of Li jump rates on a macroscopic scale. Possible dimensionality effects were investigated by {sup 7}Li NMR SLR. Out of the phase system Li{sub 2}O
Three-dimensional function photonic crystals
Zhang, Hai-Feng
2017-11-01
In this paper, the properties of the photonic band gaps (PBGs) of three-dimensional (3D) function photonic crystals (PCs) are theoretically investigated by a modified plane wave expansion (PWE) method, whose equations for computations are deduced. The configuration of 3D function PCs is the dielectric spheres inserted in the air background with simple-cubic (SC) lattices whose dielectric constants are the functions of space coordinates, which can be realized by the electro-optical or optical Kerr effect in the practice. The influences of the parameter for 3D function PCs on the PBGs also are discussed. The calculated results show that the bandwidths and number of PBGs can be tuned with different distributions of function dielectrics. Compared with the conventional 3D dielectric PCs with SC lattices, the larger and more PBGs can be obtained in the 3D function PCs. Those results provide a new way to design the novel practical devices.
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
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
Baghdasaryan, Tigran; Geernaert, Thomas; Chah, Karima; Caucheteur, Christophe; Schuster, Kay; Kobelke, Jens; Thienpont, Hugo; Berghmans, Francis
2018-04-03
It is common belief that photonic crystals behave similarly to isotropic and transparent media only when their feature sizes are much smaller than the wavelength of light. Here, we counter that belief and we report on photonic crystals that are transparent for anomalously high normalized frequencies up to 0.9, where the crystal's feature sizes are comparable with the free space wavelength. Using traditional photonic band theory, we demonstrate that the isofrequency curves can be circular in the region above the first stop band for triangular lattice photonic crystals. In addition, by simulating how efficiently a tightly focused Gaussian beam propagates through the photonic crystal slab, we judge on the photonic crystal's transparency rather than on isotropy only. Using this approach, we identified a wide range of photonic crystal parameters that provide anomalous transparency. Our findings indicate the possibility to scale up the features of photonic crystals and to extend their operational wavelength range for applications including optical cloaking and graded index guiding. We applied our result in the domain of femtosecond laser micromachining, by demonstrating what we believe to be the first point-by-point grating inscribed in a multi-ring photonic crystal fiber.
Supersymmetric quiver gauge theories on the lattice
International Nuclear Information System (INIS)
Joseph, Anosh
2013-12-01
In this paper we detail the lattice constructions of several classes of supersymmetric quiver gauge theories in two and three Euclidean spacetime dimensions possessing exact supersymmetry at finite lattice spacing. Such constructions are obtained through the methods of topological twisting and geometric discretization of Euclidean Yang-Mills theories with eight and sixteen supercharges in two and three dimensions. We detail the lattice constructions of two-dimensional quiver gauge theories possessing four and eight supercharges and three-dimensional quiver gauge theories possessing eight supercharges.
Calculating luminosity for a coupled Tevatron lattice
International Nuclear Information System (INIS)
Holt, J.A.; Martens, M.A.; Michelotti, L.; Goderre, G.
1995-05-01
The traditional formula for calculating luminosity assumes an uncoupled lattice and makes use of one-degree-of-freedom lattice functions, β H and β v , for relating transverse beam widths to emittances. Strong coupling requires changing this approach. It is simplest to employ directly the linear normal form coordinates of the one turn map. An equilibrium distribution in phase space is expressed as a function of the Jacobian's eigenvectors and beam size parameters or emittances. Using the equilibrium distributions an expression for the luminosity was derived and applied to the Tevatron lattice, which was coupled due to a quadrupole roll
International Nuclear Information System (INIS)
Jansen, K.; Michael, C.; Urbach, C.
2008-04-01
We study the flavour singlet pseudoscalar mesons from first principles using lattice QCD. With N f =2 flavours of light quark, this is the so-called η 2 meson and we discuss the phenomenological status of this. Using maximally twisted-mass lattice QCD, we extract the mass of the η 2 meson at two values of the lattice spacing for lighter quarks than previously discussed in the literature. We are able to estimate the mass value in the limit of light quarks with their physical masses. (orig.)
On the hierarchical lattices approximation of Bravais lattices: Specific heat and correlation length
International Nuclear Information System (INIS)
Tsallis, C.
1984-01-01
Certain types of real-space renormalization groups (which essentially approximate Bravais lattices through hierarchical ones) do not preserve standard thermodynamic convexity properties. It is pointed out that this serious defect is not intrinsic to any real-space renormalization. It can be avoided if form-invariance (under uniform translation of the energy scale) of the equation connecting the Bravais lattice (which is intended to study) to the hierarchical one (which approximates it) is demanded. In addition to that expressions for the critical exponentes ν and α corresponding to hierarchical lattices are analysed; these are consistent with Melrose recent analysis of the fractal intrinsic dimensionality. (Author) [pt
Generalized isothermic lattices
International Nuclear Information System (INIS)
Doliwa, Adam
2007-01-01
We study multi-dimensional quadrilateral lattices satisfying simultaneously two integrable constraints: a quadratic constraint and the projective Moutard constraint. When the lattice is two dimensional and the quadric under consideration is the Moebius sphere one obtains, after the stereographic projection, the discrete isothermic surfaces defined by Bobenko and Pinkall by an algebraic constraint imposed on the (complex) cross-ratio of the circular lattice. We derive the analogous condition for our generalized isothermic lattices using Steiner's projective structure of conics, and we present basic geometric constructions which encode integrability of the lattice. In particular, we introduce the Darboux transformation of the generalized isothermic lattice and we derive the corresponding Bianchi permutability principle. Finally, we study two-dimensional generalized isothermic lattices, in particular geometry of their initial boundary value problem
Dimension changing phase transitions in instanton crystals
International Nuclear Information System (INIS)
Kaplunovsky, Vadim; Sonnenschein, Jacob
2014-01-01
We investigate lattices of instantons and the dimension-changing transitions between them. Our ultimate goal is the 3D→4D transition, which is holographically dual to the phase transition between the baryonic and the quarkyonic phases of cold nuclear matter. However, in this paper (just as in http://dx.doi.org/10.1007/JHEP11(2012)047) we focus on lower dimensions — the 1D lattice of instantons in a harmonic potential V∝M 2 2 x 2 2 +M 3 2 x 2 2 +M 4 2 x 4 2 , and the zigzag-shaped lattice as a first stage of the 1D→2D transition. We prove that in the low- and moderate-density regimes, interactions between the instantons are dominated by two-body forces. This drastically simplifies finding the ground state of the instantons’ orientations, so we made a numeric scan of the whole orientation space instead of assuming any particular ansatz. We find that depending on the M 2 /M 3 /M 4 ratios, the ground state of instanton orientations can follow a wide variety of patterns. For the straight 1D lattices, we found orientations periodically running over elements of a ℤ 2 , Klein, prismatic, or dihedral subgroup of the SU(2)/ℤ 2 , as well as irrational but link-periodic patterns. For the zigzag-shaped lattices, we detected 4 distinct orientation phases — the anti-ferromagnet, another abelian phase, and two non-abelian phases. Allowing the zigzag amplitude to vary as a function of increasing compression force, we obtained the phase diagrams for the straight and zigzag-shaped lattices in the (force,M 3 /M 4 ), (chemical potential,M 3 /M 4 ), and (density,M 3 /M 4 ) planes. Some of the transitions between these phases are second-order while others are first-order. Our techniques can be applied to other types of non-abelian crystals
Efficient LBM visual simulation on face-centered cubic lattices.
Petkov, Kaloian; Qiu, Feng; Fan, Zhe; Kaufman, Arie E; Mueller, Klaus
2009-01-01
The Lattice Boltzmann method (LBM) for visual simulation of fluid flow generally employs cubic Cartesian (CC) lattices such as the D3Q13 and D3Q19 lattices for the particle transport. However, the CC lattices lead to suboptimal representation of the simulation space. We introduce the face-centered cubic (FCC) lattice, fD3Q13, for LBM simulations. Compared to the CC lattices, the fD3Q13 lattice creates a more isotropic sampling of the simulation domain and its single lattice speed (i.e., link length) simplifies the computations and data storage. Furthermore, the fD3Q13 lattice can be decomposed into two independent interleaved lattices, one of which can be discarded, which doubles the simulation speed. The resulting LBM simulation can be efficiently mapped to the GPU, further increasing the computational performance. We show the numerical advantages of the FCC lattice on channeled flow in 2D and the flow-past-a-sphere benchmark in 3D. In both cases, the comparison is against the corresponding CC lattices using the analytical solutions for the systems as well as velocity field visualizations. We also demonstrate the performance advantages of the fD3Q13 lattice for interactive simulation and rendering of hot smoke in an urban environment using thermal LBM.
Energy Technology Data Exchange (ETDEWEB)
Aoki, Y.; Osaragi, T. (Tokyo Institute of Technology, Tokyo (Japan). Faculty of Engineering)
1991-07-30
In this study, a method for robust estimation of parameters of the space influence function model, which was possible to become unstable, was investigated by applying a principal component method. In order to carry out the robust estimation of parameters without the effect of multicollinearity, regression coefficients of principal components with small eigenvalue and with small single-correlation with dependent variables were required to forced to be zero in the estimation method by principal component. Through the case study using the real urban lattice data, the conventional method was compared with the principal component method. As a result, the latter method realized the excellent sabilization of spatial distribution patterns of estimation parameters and the simple interpretation of parameters. It also improved reliability since 95% confidence interval of the estimated value became smaller. This method was found to be effective as a basic measure to acheve the stability of parameters. 10 refs., 7 figs.
Potts ferromagnet correlation length in hypercubic lattices: Renormalization - group approach
International Nuclear Information System (INIS)
Curado, E.M.F.; Hauser, P.R.
1984-01-01
Through a real space renormalization group approach, the q-state Potts ferromagnet correlation length on hierarchical lattices is calculated. These hierarchical lattices are build in order to simulate hypercubic lattices. The high-and-low temperature correlation length asymptotic behaviours tend (in the Ising case) to the Bravais lattice correlation length ones when the size of the hierarchical lattice cells tends to infinity. It is conjectured that the asymptotic behaviours several values of q and d (dimensionality) so obtained are correct. Numerical results are obtained for the full temperature range of the correlation length. (Author) [pt
Three-wave electron vortex lattices for measuring nanofields.
Dwyer, C; Boothroyd, C B; Chang, S L Y; Dunin-Borkowski, R E
2015-01-01
It is demonstrated how an electron-optical arrangement consisting of two electron biprisms can be used to generate three-wave vortex lattices with effective lattice spacings between 0.1 and 1 nm. The presence of vortices in these lattices was verified by using a third biprism to perform direct phase measurements via off-axis electron holography. The use of three-wave lattices for nanoscale electromagnetic field measurements via vortex interferometry is discussed, including the accuracy of vortex position measurements and the interpretation of three-wave vortex lattices in the presence of partial spatial coherence. Copyright © 2014 Elsevier B.V. All rights reserved.
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
International Nuclear Information System (INIS)
Wan, Lingyu; Zhou, Yu; Liu, Liren; Sun, Jianfeng
2013-01-01
A free-space 2 × 4 90° optical hybrid with electro-optic modulation is presented. The hybrid principally consists of two pairs of electro-optic crystal plates coated with gold electrodes and a polarization analyzer. The optical hybrid uses the birefringence effect of a crystal to split and combine a signal beam and a local oscillator beam, uses the electro-optic effect to introduce a phase modulation and produce a phase shift, and outputs four-channel signal/local oscillator mixed beams whose phase difference can be adjusted continuously. A LiNbO 3 crystal is used to design and manufacture the space optical hybrid, and an experimental system is used to verify its performance. The results show that the output phase of the hybrid is continuously adjustable, enabling the hybrid to function perfectly as a 2 × 4 90° space optical hybrid under an appropriate electric field, and that the phase error can be compensated for by an electric field adjustment. (paper)
Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube
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…
Crystal structure of a novel cerium indide Ce{sub 6}Pt{sub 11}In{sub 14}
Energy Technology Data Exchange (ETDEWEB)
Stepien-Damm, J.; Bukowski, Z.; Zaremba, V.I.; Pikul, A.P.; Kaczorowski, D
2004-10-06
The crystal structure of a new intermetallic compound Ce{sub 6}Pt{sub 11}In{sub 14} has been determined from single crystal X-ray data and was refined by a full-matrix least-squares method down to R{sub 1}=0.0497 for 1215 structure factors and 96 parameters. The unit cell is monoclinic, space group C2/m, Z=2 with the lattice parameters: a=22.729(5) A, b=4.3960(10) A, c=14.780(3) A and {beta}=118.35(3) deg. . It represents a new type of crystal structure of intermetallic compounds.
Upper bound on the cutoff in lattice electroweak theory
International Nuclear Information System (INIS)
Veselov, A.I.; Zubkov, M.A.
2008-01-01
We investigate numerically lattice Weinberg-Salam model without fermions for realistic values of the fine structure constant and the Weinberg angle. We also analyze the data of the previous numerical investigations of lattice Electroweak theory. We have found that moving along the line of constant physics when the lattice spacing a is decreased, one should leave the physical Higgs phase of the theory at a certain value of a. Our estimate of the minimal value of the lattice spacing is a c = [430 ± 40 GeV] -1 .
Topological susceptibility in lattice QCD with unimproved Wilson fermions
International Nuclear Information System (INIS)
Chowdhury, Abhishek; De, Asit K.; De Sarkar, Sangita; Harindranath, A.; Mondal, Santanu; Sarkar, Anwesa; Maiti, Jyotirmoy
2012-01-01
We address a long standing problem regarding topology in lattice simulations of QCD with unimproved Wilson fermions. Earlier attempt with unimproved Wilson fermions at β=5.6 to verify the suppression of topological susceptibility with decreasing quark mass (m q ) was unable to unambiguously confirm the suppression. We carry out systematic calculations for two degenerate flavours at two different lattice spacings (β=5.6 and 5.8). The effects of quark mass, lattice volume and the lattice spacing on the spanning of different topological sectors are presented. We unambiguously demonstrate the suppression of the topological susceptibility with decreasing quark mass, expected from chiral Ward identity and chiral perturbation theory.
Lattice theory for nonspecialists
International Nuclear Information System (INIS)
Hari Dass, N.D.
1984-01-01
These lectures were delivered as part of the academic training programme at the NIKHEF-H. These lectures were intended primarily for experimentalists, and theorists not specializing in lattice methods. The goal was to present the essential spirit behind the lattice approach and consequently the author has concentrated mostly on issues of principle rather than on presenting a large amount of detail. In particular, the author emphasizes the deep theoretical infra-structure that has made lattice studies meaningful. At the same time, he has avoided the use of heavy formalisms as they tend to obscure the basic issues for people trying to approach this subject for the first time. The essential ideas are illustrated with elementary soluble examples not involving complicated mathematics. The following subjects are discussed: three ways of solving the harmonic oscillator problem; latticization; gauge fields on a lattice; QCD observables; how to solve lattice theories. (Auth.)
Symmetry and fermion degeneracy on a lattice
International Nuclear Information System (INIS)
Raszillier, H.
1982-03-01
In this paper we consider the general form of finite difference approximation to the Dirac (Weyl) Hamiltonian on a lattice and investigate systematically the dependence on symmetry of the number of particles described by it. Our result is, that to a symmetry - expressed by a crystallographic space group - there corresponds a minimal number of particles, which are associated to prescribed points of momentum space (the unit cell of the reciprocal lattice). For convenience of the reader we show, using the existing detailed descriptions of space groups, how these results look for all the relevant (symmorphic) symmetry groups. Only for lattice Hamiltonians with a momentum dependent mass term can this degeneracy be reduced and even eliminated without reducing the symmetry. (orig./HSI)
Entanglement scaling in lattice systems
Energy Technology Data Exchange (ETDEWEB)
Audenaert, K M R [Institute for Mathematical Sciences, Imperial College London, 53 Prince' s Gate, Exhibition Road, London SW7 2PG (United Kingdom); Cramer, M [QOLS, Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Eisert, J [Institute for Mathematical Sciences, Imperial College London, 53 Prince' s Gate, Exhibition Road, London SW7 2PG (United Kingdom); Plenio, M B [Institute for Mathematical Sciences, Imperial College London, 53 Prince' s Gate, Exhibition Road, London SW7 2PG (United Kingdom)
2007-05-15
We review some recent rigorous results on scaling laws of entanglement properties in quantum many body systems. More specifically, we study the entanglement of a region with its surrounding and determine its scaling behaviour with its size for systems in the ground and thermal states of bosonic and fermionic lattice systems. A theorem connecting entanglement between a region and the rest of the lattice with the surface area of the boundary between the two regions is presented for non-critical systems in arbitrary spatial dimensions. The entanglement scaling in the field limit exhibits a peculiar difference between fermionic and bosonic systems. In one-spatial dimension a logarithmic divergence is recovered for both bosonic and fermionic systems. In two spatial dimensions in the setting of half-spaces however we observe strict area scaling for bosonic systems and a multiplicative logarithmic correction to such an area scaling in fermionic systems. Similar questions may be posed and answered in classical systems.
Disconnected Diagrams in Lattice QCD
Gambhir, Arjun Singh
of the nucleon at two different values of the lattice spacing. Finally, we employ these algorithms to do a high-precision study of strange sigma terms in light nuclei; to our knowledge this is the first calculation of its kind from Lattice QCD.
Disconnected Diagrams in Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Gambhir, Arjun [College of William and Mary, Williamsburg, VA (United States)
2017-08-01
of the nucleon at two different values of the lattice spacing. Finally, we employ these algorithms to do a high-precision study of strange sigma terms in light nuclei; to our knowledge this is the first calculation of its kind from Lattice QCD.
On Traveling Waves in Lattices: The Case of Riccati Lattices
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.
International Nuclear Information System (INIS)
Guo, Min; Shapiro, Ryan; Schimmel, Paul; Yang, Xiang-Lei
2010-01-01
E. coli alanyl-tRNA synthetase is recalcitrant to crystallization. A group of leucine substitutions has transformed the protein. Although Escherichia coli alanyl-tRNA synthetase was among the first tRNA synthetases to be sequenced and extensively studied by functional analysis, it has proved to be recalcitrant to crystallization. This challenge remained even for crystallization of the catalytic fragment. By mutationally introducing three stacked leucines onto the solvent-exposed side of an α-helix, an engineered catalytic fragment of the synthetase was obtained that yielded multiple high-quality crystals and cocrystals with different ligands. The engineered α-helix did not form a leucine zipper that interlocked with the same α-helix from another molecule. Instead, using the created hydrophobic spine, it interacted with other surfaces of the protein as a leucine half-zipper (LHZ) to enhance the crystal lattice interactions. The LHZ made crystal lattice contacts in all crystals of different space groups. These results illustrate the power of introducing an LHZ into helices to facilitate crystallization. The authors propose that the method can be unified with surface-entropy reduction and can be broadly used for protein-surface optimization in crystallization
Lattice degeneracies of fermions
International Nuclear Information System (INIS)
Raszillier, H.
1983-10-01
We present a detailed description of the minimal degeneracies of geometric (Kaehler) fermions on all the lattices of maximal symmetries in n = 1, ..., 4 dimensions. We also determine the isolated orbits of the maximal symmetry groups, which are related to the minimal numbers of ''naive'' fermions on the reciprocals of these lattices. It turns out that on the self-reciprocal lattices the minimal numbers of naive fermions are equal to the minimal numbers of degrees of freedom of geometric fermions. The description we give relies on the close connection of the maximal lattice symmetry groups with (affine) Weyl groups of root systems of (semi-) simple Lie algebras. (orig.)
International Nuclear Information System (INIS)
Shindler, A.
2007-07-01
I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Shindler, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC
2007-07-15
I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)
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
Lattice Dynamics of Gallium Phosphide
International Nuclear Information System (INIS)
Yarnell, J.L.; Warren, J.L.; Wenzel, R.G.; Dean, P.J.
1968-01-01
Dispersion curves for phonons propagating in the [100], [110], and [111] directions in gallium phosphide have been measured using a triple-axis neutron diffraction spectrometer operating in the constant-Q mode. The sample was a pseudo-single crystal which was prepared by gluing together 36 single crystal plates of gallium phosphide 1 to 2.5 cm in diameter and ∼0.07 cm thick. The plates were grown epitaxially on substrates of gallium arsenide or gallium phosphide, and aligned individually by neutron diffraction. Rocking curves for eight reflections symmetrically distributed in the plane of the experiment had full widths at half maximum in the range 0.52° - 0.58° and were approximately Gaussian in shape. Gallium phosphide crystallizes in the zinc blende structure. A group theoretic analysis of the lattice dynamics of this structure and a shell model fit to the measured dispersion curves are presented. Various optical properties of gallium phosphide are discussed in terms of the phonon dispersion curves. In particular, the phonons which assist indirect electronic transitions are identified as those at the zone boundary in the [100] direction (symmetry point X) in agreement with theoretical and experimental indications that the extrema of the conduction and valence bands are at X and Γ (center of the zone), respectively. The LO branches lie above the TO branches throughout the Brillouin zone in contradiction to the predictions of Keyes and Mitra. The shell model fit indicates that the charge on the gallium atom is negative. (author)
Directory of Open Access Journals (Sweden)
Epelbaum E.
2010-04-01
Full Text Available We review recent progress on nuclear lattice simulations using chiral eﬀective ﬁeld theory. We discuss lattice results for dilute neutron matter at next-to-leading order, three-body forces at next-to-next-toleading order, isospin-breaking and Coulomb eﬀects, and the binding energy of light nuclei.
International Nuclear Information System (INIS)
Jersak, J.
1986-01-01
This year has brought a sudden interest in lattice Higgs models. After five years of only modest activity we now have many new results obtained both by analytic and Monte Carlo methods. This talk is a review of the present state of lattice Higgs models with particular emphasis on the recent development
Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films
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.
Pawlak algebra and approximate structure on fuzzy lattice.
Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai
2014-01-01
The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties.
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
International Nuclear Information System (INIS)
Tyapkin, Yu.D.; Travina, N.T.; Ugarova, E.V.
1977-01-01
Electron microscope images were processed by statistical methods to investigate the space distribution of particles of the γ'-phase (formation of ''quasiperiodic micro-lattices'') after various conditions of single- and double-stage aging of the Ni-14 at.% Al alloy. Mechanical properties in uniaxial tension of single crystals were studied. Parameters of the space distribution of particles have been correlated with the mechanical properties
Entropy-driven crystal formation on highly strained substrates
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
Calculational methods for lattice cells
International Nuclear Information System (INIS)
Askew, J.R.
1980-01-01
At the current stage of development, direct simulation of all the processes involved in the reactor to the degree of accuracy required is not an economic proposition, and this is achieved by progressive synthesis of models for parts of the full space/angle/energy neutron behaviour. The split between reactor and lattice calculations is one such simplification. Most reactors are constructed of repetitions of similar geometric units, the fuel elements, having broadly similar properties. Thus the provision of detailed predictions of their behaviour is an important step towards overall modelling. We shall be dealing with these lattice methods in this series of lectures, but will refer back from time to time to their relationship with overall reactor calculation The lattice cell is itself composed of somewhat similar sub-units, the fuel pins, and will itself often rely upon a further break down of modelling. Construction of a good model depends upon the identification, on physical and mathematical grounds, of the most helpful division of the calculation at this level
Topological Valley Transport in Two-dimensional Honeycomb Photonic Crystals.
Yang, Yuting; Jiang, Hua; Hang, Zhi Hong
2018-01-25
Two-dimensional photonic crystals, in analogy to AB/BA stacking bilayer graphene in electronic system, are studied. Inequivalent valleys in the momentum space for photons can be manipulated by simply engineering diameters of cylinders in a honeycomb lattice. The inequivalent valleys in photonic crystal are selectively excited by a designed optical chiral source and bulk valley polarizations are visualized. Unidirectional valley interface states are proved to exist on a domain wall connecting two photonic crystals with different valley Chern numbers. With the similar optical vortex index, interface states can couple with bulk valley polarizations and thus valley filter and valley coupler can be designed. Our simple dielectric PC scheme can help to exploit the valley degree of freedom for future optical devices.
Novel S = 1/2 Kagome Lattice Materials: Cs2TiCu3F12 and Rb2TiCu3F12
Directory of Open Access Journals (Sweden)
Lewis J. Downie
2015-05-01
Full Text Available Two new members of the A2B′Cu3F12 family of kagome-related materials have been prepared, in order to further understand the crystal-chemical relationships, phase transitions and magnetic behaviour within this family of potentially frustrated S = ½ two-dimensional quantum magnets. Cs2TiCu3F12 adopts a crystal structure with the ideal kagome lattice topology (space group R m at ambient temperature. Diffraction studies reveal different symmetry-lowering structural phase transitions in single crystal and polycrystalline forms at sub-ambient temperatures, with the single crystal form retaining rhombohedral symmetry and the powder form being monoclinic. In both cases, long-range antiferromagnetic order occurs in the region 16–20 K. Rb2TiCu3F12 adopts a distorted triclinic structure even at ambient temperatures.
On singularities of lattice varieties
Mukherjee, Himadri
2013-01-01
Toric varieties associated with distributive lattices arise as a fibre of a flat degeneration of a Schubert variety in a minuscule. The singular locus of these varieties has been studied by various authors. In this article we prove that the number of diamonds incident on a lattice point $\\a$ in a product of chain lattices is more than or equal to the codimension of the lattice. Using this we also show that the lattice varieties associated with product of chain lattices is smooth.
Lattice Gauge Theories Have Gravitational Duals
International Nuclear Information System (INIS)
Hellerman, Simeon
2002-01-01
In this paper we examine a certain threebrane solution of type IIB string theory whose long-wavelength dynamics are those of a supersymmetric gauge theory in 2+1 continuous and 1 discrete dimension, all of infinite extent. Low-energy processes in this background are described by dimensional deconstruction, a strict limit in which gravity decouples but the lattice spacing stays finite. Relating this limit to the near-horizon limit of our solution we obtain an exact, continuum gravitational dual of a lattice gauge theory with nonzero lattice spacing. H-flux in this translationally invariant background encodes the spatial discreteness of the gauge theory, and we relate the cutoff on allowed momenta to a giant graviton effect in the bulk
A lattice formulation of chiral gauge theories
International Nuclear Information System (INIS)
Bodwin, G.T.
1995-12-01
The authors present a method for formulating gauge theories of chiral fermions in lattice field theory. The method makes use of a Wilson mass to remove doublers. Gauge invariance is then restored by modifying the theory in two ways: the magnitude of the fermion determinant is replaced with the square root of the determinant for a fermion with vector-like couplings to the gauge field; a double limit is taken in which the lattice spacing associated with the fermion field is taken to zero before the lattice spacing associated with the gauge field. The method applies only to theories whose fermions are in an anomaly-free representation of the gauge group. They also present a related technique for computing matrix elements of operators involving fermion fields. Although the analyses of these methods are couched in weak-coupling perturbation theory, it is argued that computational prescriptions are gauge invariant in the presence of a nonperturbative gauge-field configuration
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.)
DEFF Research Database (Denmark)
Chung, Il-Sug; Taghizadeh, Alireza
2017-01-01
The bound states in the continuum (BICs) in photonic crystal (PhC) slabs presume infinite periodicity in the inplane direction. Thus, a large number of unit cells are typically required to implement the BICs with a high quality (Q) factor. Here, we report on a method to engineer the reciprocal......-space properties of BICs, which enables to keep the effect of the BIC phenomenon strong even for a microcavity of a few unit cells. For example, based on this method, a 3D microcavity of 4 unit cells can attain a Q factor of 18k. This allows for various BIC studies in a very compact platform, as well as novel...
Feonychev, A. I.
It is well known that numerous experiments on crystal growth by the Bridgman method in space had met with only limited success. Because of this, only floating zone method is promising at present. However, realization of this method demands solution of some problems, in particular reduction of dopant micro- and macrosegregation. Rotating magnetic field is efficient method for control of flow in electrically conducting fluid and transfer processes. Investigation of rotating magnetic field had initiated in RIAME MAI in 1994 /3/. Results of the last investigations had been presented in /4/. Mathematical model of flow generated by rotating magnetic field and computer program were verified by comparison with experiment in area of developed oscillatory flow. Nonlinear analysis of flow stability under combination of thermocapillary convection and secondary flow generated by rotating magnetic field shows that boundary of transition from laminar to oscillatory flow is nonmonotone function in the plane of Marangoni number (Ma) - combined parameter Reω Ha2 (Ha is Hartman number, Reω is dimensionless velocity of magnetic field rotation). These data give additional knowledge of mechanism of onset of oscillations. In this case, there is reason to believe that the cause is Eckman's viscous stresses in rotating fluid on solid end-walls. It was shown that there is a possibility to increase stability of thermocapillary convection and in doing so to remove the main cause of dopant microsegregation. In doing so, if parameters of rotating magnetic field had been incorrectly chosen the dangerous pulsating oscillations are to develop. Radial macrosegregation of dopant can result from correct choosing of parameters of rotating magnetic field. As example, optimization of rotating magnetic field had been carried out for Ge(Ga) under three values of Marangoni number in weightlessness conditions. In the case when rotating magnetic field is used in terrestrial conditions, under combination of
Energy Technology Data Exchange (ETDEWEB)
Ulbrich, Gregor
2015-07-23
In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.
Mixed garnet laser crystals for water vapour DIAL transmitter
Treichel, Rainer; Czeranowsky, Christoph; Ileri, Bilge; Petermann, Klaus; Huber, Günter
2017-11-01
There are more or less well established technologies such as the optical-parametric-oscillator (OPO), the Raman-laser, and the Ti-Sapphire laser, which are able to emit laser light in the region of the water vapour absorption lines. For WALES the regions of about 935 nm, 942 nm, and 944 nm have been identified as the most suitable wavelength ranges. However, each of these laser designs is highly sophisticated. Current baseline for WALES is the Ti-Sapphire laser. A fourth possibility to achieve these wavelength ranges is to shift the groundstate laser lines (938 nm and 946 nm) of the Nd:YAG laser by replacing Aluminium and Yttrium by other rare earth elements. Changes of the host lattice characteristics lead to a shift of the upper and lower laser levels. These modified crystals are summarized under the name of "Mixed Garnet" crystals. Only the Mixed Garnet lasers can be pumped directly with diode laser and use a direct approach to generate the required laser pulses without frequency conversion. Therefore no additional non-linear crystals are needed and a higher electric to optical efficiency is expected as well as single frequency operation using spectral tuning elements like etalons. Such lasers have the great potential to fulfil the requirements and to become the preferred transmitter concept for WALES as well as for follow up missions. Within a ESA study several crystal compositions have been grown, spectrally characterised and analysed. Absorbed space radiation energy in the crystal lattice causes colour centres, which can reabsorb the pump and laser wavelength and consequently reduce the laser gain considerably. Co-dopants such as Chromium and Cerium are able to suppress the colour centres and are candidates for effective radiation hardening. The results of the crystal tuning, the co-doping with different radiation hardeners and the radiation tests will be presented. There applicability for a space based water vapour DIAL transmitter will be discussed.
Growth and optical characterizations on 3-aminophenol perchlorate (3-AMPP) crystal
Energy Technology Data Exchange (ETDEWEB)
Boopathi, K., E-mail: ramasamyp@ssn.edu.in; Ramasamy, P., E-mail: ramasamyp@ssn.edu.in [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam-603110 (India)
2014-04-24
A single crystal of organic nonlinear optical material 3-aminophenol perchlorate (3-AMP) was successfully grown by the slow evaporation solution method. Single-crystal X-ray diffractrometer was utilized to measure unit cell parameters and to confirm lattice parameter. 3-aminophenol perchlorate belongs to monoclinic space group P2{sub 1}. The optical transparency window in the UV-vis-NIR region is found to be good for nonlinear optical applications second harmonic studies were carried out. The second harmonic output intensity was tested using the Kurtz and Perry powder method and was found to be 1.1 times that of potassium dihydrogen phosphate (KDP)
Acoustic beam splitting in a sonic crystal around a directional band gap
International Nuclear Information System (INIS)
Cicek Ahmet; Kaya Olgun Adem; Ulug Bulent
2013-01-01
Beam splitting upon refraction in a triangular sonic crystal composed of aluminum cylinders in air is experimentally and numerically demonstrated to occur due to finite source size, which facilitates circumvention of a directional band gap. Experiments reveal that two distinct beams emerge at crystal output, in agreement with the numerical results obtained through the finite-element method. Beam splitting occurs at sufficiently-small source sizes comparable to lattice periodicity determined by the spatial gap width in reciprocal space. Split beams propagate in equal amplitude, whereas beam splitting is destructed for oblique incidence above a critical incidence angle
Crystal structure and magnetic properties of Tb6FeSb2
International Nuclear Information System (INIS)
Cai Gemei; Zhang Jiliang; He Wei; Qin Pingli; Zeng Lingmin
2006-01-01
The crystal structure and magnetic properties of Tb 6 FeSb 2 has been investigated for the first time. The compound crystallizes in the hexagonal, space group P6-bar 2m (No. 189) with the Ho 6 FeSb 2 structure type and lattice parameters a=8.1942(5)A, c=4.1758(3)A, z=1 and D calc =8.564g/cm 3 . Its magnetic properties were measured between 85 and 420K. The Curie temperature T c =256K was obtained using the method of intersecting tangents, and the effective paramagnetic moment was μ eff =9.32μ B per Tb atom
Photonic and Plasmonic Guided Modes in Graphene-Silicon Photonic Crystals
DEFF Research Database (Denmark)
Gu, Tingyi; Andryieuski, Andrei; Hao, Yufeng
2015-01-01
We report the results of systematic studies of plasmonic and photonic guided modes in large-area single-layer graphene integrated into a nanostructured silicon substrate. The interaction of light with graphene and substrate photonic crystals can be classified in distinct regimes depending......, filters, sensors, and photodetectors utilizing silicon photonic platforms....... on the relation of the photonic crystal lattice constant and the relevant modal wavelengths, that is, plasmonic, photonic, and free-space. By optimizing the design of the substrate, these resonant modes can increase the absorption of graphene in the infrared, facilitating enhanced performance of modulators...
Continuum limit and improved action in lattice theories. Pt. 1
International Nuclear Information System (INIS)
Symanzik, K.
1983-03-01
Corrections to continuum theory results stemming from finite lattice-spacing can be diminished systematically by use of lattice actions that include also suitable irrelevant terms. We describe in detail the principles of such constructions at the example of PHI 4 theory. (orig.)
Hamiltonian approach to the lattice massive Schwinger model
International Nuclear Information System (INIS)
Sidorov, A.V.; Zastavenko, L.G.
1996-01-01
The authors consider the limit e 2 /m 2 much-lt 1 of the lattice massive Schwinger model, i.e., the lattice massive QED in two space-time dimensions, up to lowest order in the effective coupling constant e 2 /m 2 . Here, m is the fermion mass parameter and e is the electron charge. They compare their lattice QED model with the analogous continuous space and lattice space models, (CSM and LSM), which do not take account of the zero momentum mode, z.m.m., of the vector potential. The difference is that (due to extra z.m.m. degree of freedom) to every eigenstate of the CSM and LSM there corresponds a family of eigenstates of the authors lattice QED with the parameter λ. They restrict their consideration to small values of the parameter λ. Then, the energies of the particle states of their lattice QED and LSM do coincide (in their approximation). In the infinite periodicity length limit the Hamiltonian of the authors lattice QED (as well as the Hamiltonian of the LSM) possesses two different Hilbert spaces of eigenfunctions. Thus, in this limit the authors lattice QED model (as well as LSM) describes something like two connected, but different, worlds
Determinant of twisted chiral Dirac operator on the lattice
International Nuclear Information System (INIS)
Fosco, C.D.; Randjbar Daemi, S.
1995-04-01
Using the overlap formulation, we calculate the fermionic determinant on the lattice for chiral fermions with twisted boundary conditions in two dimensions. When the lattice spacing tends to zero we recover the results on the usual string-theory continuum calculations. (author). 13 refs
Low emittance lattices for electron storage rings revisited
International Nuclear Information System (INIS)
Trbojevic, D.; Courant, E.
1994-01-01
Conditions for the lowest possible emittance of the lattice for electron storage rings are obtained by a simplified analytical approach. Examples of electron storage lattices with minimum emittances are presented. A simple graphical presentation in the normalized dispersion space (Floquet's transformation) is used to illustrate the conditions and results
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
Wang, Jue; Kwan, Mei-Po; Chai, Yanwei
2018-04-09
Scholars in the fields of health geography, urban planning, and transportation studies have long attempted to understand the relationships among human movement, environmental context, and accessibility. One fundamental question for this research area is how to measure individual activity space, which is an indicator of where and how people have contact with their social and physical environments. Conventionally, standard deviational ellipses, road network buffers, minimum convex polygons, and kernel density surfaces have been used to represent people's activity space, but they all have shortcomings. Inconsistent findings of the effects of environmental exposures on health behaviors/outcomes suggest that the reliability of existing studies may be affected by the uncertain geographic context problem (UGCoP). This paper proposes the context-based crystal-growth activity space as an innovative method for generating individual activity space based on both GPS trajectories and the environmental context. This method not only considers people's actual daily activity patterns based on GPS tracks but also takes into account the environmental context which either constrains or encourages people's daily activity. Using GPS trajectory data collected in Chicago, the results indicate that the proposed new method generates more reasonable activity space when compared to other existing methods. This can help mitigate the UGCoP in environmental health studies.
Determining the scale in lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Bornyakov, V.G. [Institute for High Energy Physics, Protvino (Russian Federation); Institute of Theoretical and Experimental Physics, Moscow (Russian Federation); Far Eastern Federal Univ., Vladivostok (Russian Federation). School of Biomedicine; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Hudspith, R. [York Univ., Toronto, ON (Canada). Dept. of Physics and Astronomy; and others
2015-12-15
We discuss scale setting in the context of 2+1 dynamical fermion simulations where we approach the physical point in the quark mass plane keeping the average quark mass constant. We have simulations at four beta values, and after determining the paths and lattice spacings, we give an estimation of the phenomenological values of various Wilson flow scales.
Lattice parameters guide superconductivity in iron-arsenides
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.
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
International Nuclear Information System (INIS)
Cioffi, F.; Hidalgo, J.I.; Fernández, R.; Pirling, T.; Fernández, B.; Gesto, D.; Puente Orench, I.; Rey, P.; González-Doncel, G.
2014-01-01
Procedures based on equilibrium conditions (stress and bending moment) have been used to obtain an unstressed lattice spacing, d 0 , as a crucial requirement for calculating the residual stress (RS) profile across a joint conducted on a 10 mm thick plate of age-hardenable AA2024 alloy by friction stir welding (FSW). Two procedures have been used that take advantage of neutron diffraction measurements. First, equilibrium conditions were imposed on sections parallel to the weld so that a constant d 0 value corresponding to the base material region could be calculated analytically. Second, balance conditions were imposed on a section transverse to the weld. Then, using the data and a genetic algorithm, suitable d 0 values for the different regions of the weld have been found. For several reasons, the comb method has proved to be inappropriate for RS determination in the case of age-hardenable alloys. However, the equilibrium conditions, together with the genetic algorithm, has been shown to be very suitable for determining RS profiles in FSW joints of these alloys, where inherent microstructural variations of d 0 across the weld are expected
Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min
2014-06-16
A new multidentate ligand 1-(9-(1H-1,2,4-triazol-1-yl)anthracen-10-yl)-1H-1,2,4-triazole (tatrz) was designed and synthesized. Using tatrz as a building block, three novel coordination frameworks, namely, {[Cu(tatrz)2(NO3)2]·(CH3OH)·4H2O}n (1), {[Cu(tatrz)2(H2O)2](BF4)2}n (2), and [Mn(tatrz)2(SCN)2(CH3OH)]·2H2O (3) can be isolated. Anion-exchange experiment indicates that NO3(-) anions in the two-dimensional (2D) copper framework of 1 can be completely exchanged by ClO4(-) in an irreversible single crystal-to-single crystal (SC-SC) transformation fashion, as evidenced by the anion-exchange products of {[Cu(tatrz)2(H2O)2](ClO4)2·4CH3OH} (1a). Further, if 1a was employed as a precursor in N,N-dimethylformamide (DMF), an isomorphic solvate of {[Cu(tatrz)2(DMF)2](ClO4)2·2H2O}n (1b) can be generated during the reversible dynamic transformation process. When 1 was immersed in CH3OH, a distinct 2D layer {[Cu(tatrz)2(NO3)2]·4.4CH3OH·0.6H2O}n (1c) was isolated. Interestingly, the solvent-exchange conversion is also invertible between 1 and 1c, which exhibits spongelike dynamic behavior with retention of crystalline integrity. If the 2-fold interpenetrating three-dimensional (3D) framework 2 is selected, it can be transformed into another 2-fold interpenetrating 3D framework {[Cu(tatrz)2(H2O)2](ClO4)2·5.56H2O}n (2a) in a reversible SC-SC transformation fashion. However, when the light yellow crystals of mononuclear complex 3 were exposed to trichloromethane containing aromatic organic anthracene (atan), through our careful observation, the crystals of 3 were dissolved and reassembled into dark brown crystals of 2D crystalline coordination framework {[Mn(tatrz)2(SCN)2]·(atan)}n (3a). X-ray diffraction revealed that in 3a, atan acting as an organic template was encapsulated in the confined space of the 2D grid. Luminescent measurements illustrate that 3a is the first report of multidimensional polymers based on triazole derivatives as luminescent probes of Mg(2+).
Einstein causal quantum fields on lattices with discrete Lorentz invariance
International Nuclear Information System (INIS)
Baumgaertel, H.
1986-01-01
Results on rigorous construction of quantum fields on the hypercubic lattice Z 4 considered as a lattice in the Minkowski space R 4 are presented. Two associated fields are constructed: The first one having on the lattice points of Z 4 is causal and Poincare invariant in the discrete sense. The second one is an interpolating field over R 4 which is pointlike, translationally covariant and spectral in such a manner that the 'real' lattices field is the restriction of the interpolating field to Z 4 . Furthermore, results on a rigorous perturbation theory of such fields are mentioned
International Nuclear Information System (INIS)
Mackenzie, Paul
1989-01-01
The forty-year dream of understanding the properties of the strongly interacting particles from first principles is now approaching reality. Quantum chromodynamics (QCD - the field theory of the quark and gluon constituents of strongly interacting particles) was initially handicapped by the severe limitations of the conventional (perturbation) approach in this picture, but Ken Wilson's inventions of lattice gauge theory and renormalization group methods opened new doors, making calculations of masses and other particle properties possible. Lattice gauge theory became a major industry around 1980, when Monte Carlo methods were introduced, and the first prototype calculations yielded qualitatively reasonable results. The promising developments over the past year were highlighted at the 1988 Symposium on Lattice Field Theory - Lattice 88 - held at Fermilab
International Nuclear Information System (INIS)
Kulikowska, T.
1999-01-01
The present lecture has a main goal to show how the transport lattice calculations are realised in a standard computer code. This is illustrated on the example of the WIMSD code, belonging to the most popular tools for reactor calculations. Most of the approaches discussed here can be easily modified to any other lattice code. The description of the code assumes the basic knowledge of reactor lattice, on the level given in the lecture on 'Reactor lattice transport calculations'. For more advanced explanation of the WIMSD code the reader is directed to the detailed descriptions of the code cited in References. The discussion of the methods and models included in the code is followed by the generally used homogenisation procedure and several numerical examples of discrepancies in calculated multiplication factors based on different sources of library data. (author)
Energy Technology Data Exchange (ETDEWEB)
Mackenzie, Paul
1989-03-15
The forty-year dream of understanding the properties of the strongly interacting particles from first principles is now approaching reality. Quantum chromodynamics (QCD - the field theory of the quark and gluon constituents of strongly interacting particles) was initially handicapped by the severe limitations of the conventional (perturbation) approach in this picture, but Ken Wilson's inventions of lattice gauge theory and renormalization group methods opened new doors, making calculations of masses and other particle properties possible. Lattice gauge theory became a major industry around 1980, when Monte Carlo methods were introduced, and the first prototype calculations yielded qualitatively reasonable results. The promising developments over the past year were highlighted at the 1988 Symposium on Lattice Field Theory - Lattice 88 - held at Fermilab.
International Nuclear Information System (INIS)
Christ, Norman H
2000-01-01
The architecture and capabilities of the computers currently in use for large-scale lattice QCD calculations are described and compared. Based on this present experience, possible future directions are discussed
International Nuclear Information System (INIS)
Kulikowska, T.
2001-01-01
The description of reactor lattice codes is carried out on the example of the WIMSD-5B code. The WIMS code in its various version is the most recognised lattice code. It is used in all parts of the world for calculations of research and power reactors. The version WIMSD-5B is distributed free of charge by NEA Data Bank. The description of its main features given in the present lecture follows the aspects defined previously for lattice calculations in the lecture on Reactor Lattice Transport Calculations. The spatial models are described, and the approach to the energy treatment is given. Finally the specific algorithm applied in fuel depletion calculations is outlined. (author)
Borzdov, G. N.
2017-10-01
The family of solutions to the Dirac equation for an electron moving in an electromagnetic lattice with the chiral structure created by counterpropagating circularly polarized plane electromagnetic waves is obtained. At any nonzero quasimomentum, the dispersion equation has two solutions which specify bispinor wave functions describing electron states with different energies and mean values of momentum and spin operators. The inversion of the quasimomentum results in two other linearly independent solutions. These four basic wave functions are uniquely defined by eight complex scalar functions (structural functions), which serve as convenient building blocks of the relations describing the electron properties. These properties are illustrated in graphical form over a wide range of quasimomenta. The superpositions of two basic wave functions describing different spin states and corresponding to (i) the same quasimomentum (unidirectional electron states with the spin precession) and (ii) the two equal-in-magnitude but oppositely directed quasimomenta (bidirectional electron states) are also treated.
Single crystal growth and low-temperature properties of Er{sub 3}Al{sub 2}
Energy Technology Data Exchange (ETDEWEB)
Suttner, Christian; Benka, Georg; Bauer, Andreas; Pfleiderer, Christian [Physik Department, Technische Universitaet Muenchen, D-85748 Garching (Germany)
2016-07-01
In recent years, topologically non-trivial spin whirls in condensed matter systems attracted great scientific interest. Lattices of these objects, so-called magnetic skyrmion lattices, were mainly observed in Dzyaloshinskii-Moriya driven chiral magnets with the non-centrosymmetric cubic space group P2{sub 1}3. Similar spin textures, however, may in principle also arise in a large number of further compounds. We report single-crystal growth of Er{sub 3}Al{sub 2} crystallizing in the tetragonal space group P4{sub 2}/mnm by means of optical float zoning under UHV-compatible conditions. We determined the magnetic phase diagram for fields applied along different crystallographic directions using magnetization, ac susceptibility, and specific heat measurements. Several phase pockets are observed below the Neel temperature T{sub N} = 27 K, consistent with earlier reports.
International Nuclear Information System (INIS)
Petronzio, R.
1992-01-01
Lattice gauge theories are about fifteen years old and I will report on the present status of the field without making the elementary introduction that can be found in the proceedings of the last two conferences. The talk covers briefly the following subjects: the determination of α s , the status of spectroscopy, heavy quark physics and in particular the calculation of their hadronic weak matrix elements, high temperature QCD, non perturbative Higgs bounds, chiral theories on the lattice and induced theories
Kiefel, Martin; Jampani, Varun; Gehler, Peter V.
2014-01-01
This paper presents a convolutional layer that is able to process sparse input features. As an example, for image recognition problems this allows an efficient filtering of signals that do not lie on a dense grid (like pixel position), but of more general features (such as color values). The presented algorithm makes use of the permutohedral lattice data structure. The permutohedral lattice was introduced to efficiently implement a bilateral filter, a commonly used image processing operation....
Castle, Toen; Sussman, Daniel M; Tanis, Michael; Kamien, Randall D
2016-09-01
Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes.
Few quantum particles on one dimensional lattices
International Nuclear Information System (INIS)
Valiente Cifuentes, Manuel
2010-01-01
There is currently a great interest in the physics of degenerate quantum gases and low-energy few-body scattering due to the recent experimental advances in manipulation of ultracold atoms by light. In particular, almost perfect periodic potentials, called optical lattices, can be generated. The lattice spacing is fixed by the wavelength of the laser field employed and the angle betwen the pair of laser beams; the lattice depth, defining the magnitude of the different band gaps, is tunable within a large interval of values. This flexibility permits the exploration of different regimes, ranging from the ''free-electron'' picture, modified by the effective mass for shallow optical lattices, to the tight-binding regime of a very deep periodic potential. In the latter case, effective single-band theories, widely used in condensed matter physics, can be implemented with unprecedent accuracy. The tunability of the lattice depth is nowadays complemented by the use of magnetic Feshbach resonances which, at very low temperatures, can vary the relevant atom-atom scattering properties at will. Moreover, optical lattices loaded with gases of effectively reduced dimensionality are experimentally accessible. This is especially important for one spatial dimension, since most of the exactly solvable models in many-body quantum mechanics deal with particles on a line; therefore, experiments with one-dimensional gases serve as a testing ground for many old and new theories which were regarded as purely academic not so long ago. The physics of few quantum particles on a one-dimensional lattice is the topic of this thesis. Most of the results are obtained in the tight-binding approximation, which is amenable to exact numerical or analytical treatment. For the two-body problem, theoretical methods for calculating the stationary scattering and bound states are developed. These are used to obtain, in closed form, the two-particle solutions of both the Hubbard and extended Hubbard models
Few quantum particles on one dimensional lattices
Energy Technology Data Exchange (ETDEWEB)
Valiente Cifuentes, Manuel
2010-06-18
There is currently a great interest in the physics of degenerate quantum gases and low-energy few-body scattering due to the recent experimental advances in manipulation of ultracold atoms by light. In particular, almost perfect periodic potentials, called optical lattices, can be generated. The lattice spacing is fixed by the wavelength of the laser field employed and the angle betwen the pair of laser beams; the lattice depth, defining the magnitude of the different band gaps, is tunable within a large interval of values. This flexibility permits the exploration of different regimes, ranging from the ''free-electron'' picture, modified by the effective mass for shallow optical lattices, to the tight-binding regime of a very deep periodic potential. In the latter case, effective single-band theories, widely used in condensed matter physics, can be implemented with unprecedent accuracy. The tunability of the lattice depth is nowadays complemented by the use of magnetic Feshbach resonances which, at very low temperatures, can vary the relevant atom-atom scattering properties at will. Moreover, optical lattices loaded with gases of effectively reduced dimensionality are experimentally accessible. This is especially important for one spatial dimension, since most of the exactly solvable models in many-body quantum mechanics deal with particles on a line; therefore, experiments with one-dimensional gases serve as a testing ground for many old and new theories which were regarded as purely academic not so long ago. The physics of few quantum particles on a one-dimensional lattice is the topic of this thesis. Most of the results are obtained in the tight-binding approximation, which is amenable to exact numerical or analytical treatment. For the two-body problem, theoretical methods for calculating the stationary scattering and bound states are developed. These are used to obtain, in closed form, the two-particle solutions of both the Hubbard and
Computational Aeroacoustics Using the Generalized Lattice Boltzmann Equation, Phase I
National Aeronautics and Space Administration — The overall objective of the proposed project is to develop a generalized lattice Boltzmann (GLB) approach as a potential computational aeroacoustics (CAA) tool for...
Packing of equal discs on a parabolic spiral lattice
International Nuclear Information System (INIS)
Xudong, F.; Bursill, L.A.; Julin, P.
1989-01-01
A contact disc model is investigated to determine the most closely-packed parabolic spiral lattice. The most space-efficient packings have divergence angles in agreement with the priority ranking of natural spiral structures
Collective Robotic Assembly of Discrete Lattice Elements (CRADLE)
National Aeronautics and Space Administration — CRADLE seeks to address this need through a novel application of an integrated robot-structure-material system based on discrete lattice construction using task...
Quantum thetas on noncommutative T4 from embeddings into lattice
International Nuclear Information System (INIS)
Chang-Young, Ee; Kim, Hoil
2007-01-01
In this paper, we investigate the theta vector and quantum theta function over noncommutative T 4 from the embedding of RxZ 2 . Manin has constructed the quantum theta functions from the lattice embedding into vector space (x finite group). We extend Manin's construction of the quantum theta function to the embedding of vector space x lattice case. We find that the holomorphic theta vector exists only over the vector space part of the embedding, and over the lattice part we can only impose the condition for the Schwartz function. The quantum theta function built on this partial theta vector satisfies the requirement of the quantum theta function. However, two subsequent quantum translations from the embedding into the lattice part are nonadditive, contrary to the additivity of those from the vector space part
Lattice regularized chiral perturbation theory
International Nuclear Information System (INIS)
Borasoy, Bugra; Lewis, Randy; Ouimet, Pierre-Philippe A.
2004-01-01
Chiral perturbation theory can be defined and regularized on a spacetime lattice. A few motivations are discussed here, and an explicit lattice Lagrangian is reviewed. A particular aspect of the connection between lattice chiral perturbation theory and lattice QCD is explored through a study of the Wess-Zumino-Witten term
Vortex lattices in layered superconductors
International Nuclear Information System (INIS)
Prokic, V.; Davidovic, D.; Dobrosavljevic-Grujic, L.
1995-01-01
We study vortex lattices in a superconductor--normal-metal superlattice in a parallel magnetic field. Distorted lattices, resulting from the shear deformations along the layers, are found to be unstable. Under field variation, nonequilibrium configurations undergo an infinite sequence of continuous transitions, typical for soft lattices. The equilibrium vortex arrangement is always a lattice of isocell triangles, without shear
Epitaxial Growth of Permalloy Thin Films on MgO Single-Crystal Substrates
International Nuclear Information System (INIS)
Ohtake, Mitsuru; Tanaka, Takahiro; Matsubara, Katsuki; Futamoto, Masaaki; Kirino, Fumiyoshi
2011-01-01
Permalloy (Py: Ni - 20 at. % Fe) thin films were prepared on MgO single-crystal substrates of (100), (110), and (111) orientations by molecular beam epitaxy. Py crystals consisting of fcc(100) and hcp(112-bar 0) orientations epitaxially nucleate on MgO(100) substrates. With increasing the substrate temperature, the volume ratio of fcc(100) to hcp(112-bar 0) crystal increases. The metastable hcp(112-bar 0) structure transforms into more stable fcc(110) structure with increasing the film thickness. Py(110) fcc single-crystal films are obtained on MgO(110) substrates, whereas Py films epitaxially grow on MgO(111) substrates with two types of fcc(111) variants whose orientations are rotated around the film normal by 180 deg. each other. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of these fcc-Py films agree within ±0.4% with the values of bulk fcc-Py crystal, suggesting that the strains in the films are very small. High-resolution transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the films around the Py/MgO(100) and the Py/MgO(110) interfaces to reduce the lattice mismatches. The magnetic properties are considered to be reflecting the magnetocrystalline anisotropies of bulk fcc-Py and/or metastable hcp-Py crystals and the shape anisotropy caused by the surface undulations.
Epitaxial Growth of Permalloy Thin Films on MgO Single-Crystal Substrates
Energy Technology Data Exchange (ETDEWEB)
Ohtake, Mitsuru; Tanaka, Takahiro; Matsubara, Katsuki; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: ohtake@futamoto.elect.chuo-u.ac.jp [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)
2011-07-06
Permalloy (Py: Ni - 20 at. % Fe) thin films were prepared on MgO single-crystal substrates of (100), (110), and (111) orientations by molecular beam epitaxy. Py crystals consisting of fcc(100) and hcp(112-bar 0) orientations epitaxially nucleate on MgO(100) substrates. With increasing the substrate temperature, the volume ratio of fcc(100) to hcp(112-bar 0) crystal increases. The metastable hcp(112-bar 0) structure transforms into more stable fcc(110) structure with increasing the film thickness. Py(110){sub fcc} single-crystal films are obtained on MgO(110) substrates, whereas Py films epitaxially grow on MgO(111) substrates with two types of fcc(111) variants whose orientations are rotated around the film normal by 180 deg. each other. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of these fcc-Py films agree within {+-}0.4% with the values of bulk fcc-Py crystal, suggesting that the strains in the films are very small. High-resolution transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the films around the Py/MgO(100) and the Py/MgO(110) interfaces to reduce the lattice mismatches. The magnetic properties are considered to be reflecting the magnetocrystalline anisotropies of bulk fcc-Py and/or metastable hcp-Py crystals and the shape anisotropy caused by the surface undulations.
The Lanczos method in lattice gauge theories
International Nuclear Information System (INIS)
Barbour, I.M.; Behilil, N.E.; Gibbs, P.E.; Teper, M.; Schierholz, G.
1984-09-01
We present a modified version of the Lanczos algorithm as a computational method for tridiagonalising large sparse matrices, which avoids the requirement for large amounts of storage space. It can be applied as a first step in calculating eigenvalues and eigenvectors or for obtaining the inverse of a matrix row by row. Here we describe the method and apply it to various problems in lattice gauge theories. We have found it to have excellent convergence properties. In particular it enables us to do lattice calculations at small and even zero quark mass. (orig.)
Axial nucleon form factors from lattice QCD
International Nuclear Information System (INIS)
Alexandrou, C.; Brinet, M.; Carbonell, J.; Harraud, P. A.; Papinutto, M.; Constantinou, M.; Guichon, P.; Jansen, K.; Korzec, T.
2011-01-01
We present results on the nucleon axial form factors within lattice QCD using two flavors of degenerate twisted mass fermions. Volume effects are examined using simulations at two volumes of spatial length L=2.1 fm and L=2.8 fm. Cut-off effects are investigated using three different values of the lattice spacings, namely a=0.089 fm, a=0.070 fm and a=0.056 fm. The nucleon axial charge is obtained in the continuum limit and chirally extrapolated to the physical pion mass enabling comparison with experiment.
Lattice worldline representation of correlators in a background field
International Nuclear Information System (INIS)
Epelbaum, Thomas; Gelis, François; Wu, Bin
2015-01-01
We use a discrete worldline representation in order to study the continuum limit of the one-loop expectation value of dimension two and four local operators in a background field. We illustrate this technique in the case of a scalar field coupled to a non-Abelian background gauge field. The first two coefficients of the expansion in powers of the lattice spacing can be expressed as sums over random walks on a d-dimensional cubic lattice. Using combinatorial identities for the distribution of the areas of closed random walks on a lattice, these coefficients can be turned into simple integrals. Our results are valid for an anisotropic lattice, with arbitrary lattice spacings in each direction.
Spontaneous formation and dynamics of half-skyrmions in a chiral liquid-crystal film
Nych, Andriy; Fukuda, Jun-Ichi; Ognysta, Uliana; Žumer, Slobodan; Muševič, Igor
2017-12-01
Skyrmions are coreless vortex-like excitations emerging in diverse condensed-matter systems, and real-time observation of their dynamics is still challenging. Here we report the first direct optical observation of the spontaneous formation of half-skyrmions. In a thin film of a chiral liquid crystal, depending on experimental conditions including film thickness, they form a hexagonal lattice whose lattice constant is a few hundred nanometres, or appear as isolated entities with topological defects compensating their charge. These half-skyrmions exhibit intriguing dynamical behaviour driven by thermal fluctuations. Numerical calculations of real-space images successfully corroborate the experimental observations despite the challenge because of the characteristic scale of the structures close to the optical resolution limit. A thin film of a chiral liquid crystal thus offers an intriguing platform that facilitates a direct investigation of the dynamics of topological excitations such as half-skyrmions and their manipulation with optical techniques.
Crystal Structure of Tetragonal Form of La2NiO4+x
Kajitani, Tsuyoshi; Hosoya, Syoichi; Hirabayashi, Makoto; Fukuda, Tsuguo; Onozuka, Takashi
1989-10-01
The crystal structure of the title oxide was studied by means of the X-ray and neutron single crystal diffraction measurements. At room temperature, the tetragonal crystal structure is P42/ncm-type (No. 138), which is one of the subgroup of the space group I4/mmm. The lattice parameters of a sample annealed and slowly cooled in oxygen atmosphere from 673 K are a{=}b{=}5.4640(1) Å and c{=}12.6719(2) Å, while the oxygen content, x{=}0.10(4), was determined from obtained neutron data. The title oxide undergoes a tetragonal (P42/ncm)/tetragonal (I4/mmm) phase transition at about 560 K. The transition temperature is almost identical both in the annealed and as-grown crystals.
Plasmonic and Photonic Modes Excitation in Graphene on Silicon Photonic Crystal Membrane
DEFF Research Database (Denmark)
Andryieuski, Andrei; Gu, Tingyi; Hao, Yufeng
. Being deposited on a silicon photonic crystal membrane graphene serves as a highly promising system for modern optoelectronics with rich variety of possible regimes. Depending on the relation between the photonic crystal lattice constant and wavelengths (plasmonic, photonic and free-space) we identify...... characterization. Measured data are well correlated with the numerical analysis. Combined graphene – silicon photonic crystal membranes can find applications for infrared absorbers, modulators, filters, sensors and photodetectors....... four different interaction schemes. We refer to them as metamaterial, plasmonic, photonic and diffraction grating regimes based on the principle character of light interactions with the graphene deposited on the Si photonic crystal membrane. The optimal configurations for resonant excitation of modes...
Properties of the Sodium Naproxen-Lactose-Tetrahydrate Co-Crystal upon Processing and Storage
DEFF Research Database (Denmark)
Sovago, Ioana; Wang, Wenbo; Qiu, Danwen
2016-01-01
naproxen-lactose-tetrahydrate co-crystal and the co-amorphous mixture of sodium, naproxen, and lactose was investigated. The structure of the co-crystal is described using single-crystal X-ray diffraction. The structural analysis revealed a monoclinic lattice, space group P21, with the asymmetric unit...... containing one molecule of lactose, one of naproxen, sodium, and four water molecules. Upon heating, it was observed that the co-crystal transforms into a co-amorphous system due to the loss of its crystalline bound water. Dehydration and co-amorphization were studied using synchrotron X-ray radiation...... and thermogravimetric analysis (TGA). Subsequently, different processing techniques (ball milling, spray drying, and dehydration) were used to prepare the co-amorphous mixture of sodium, naproxen, and lactose. X-ray powder diffraction (XRPD) revealed the amorphous nature of the mixtures after preparation. Differential...
Selfduality and topological-like properties of lattice gauge field theories. A proposal
Energy Technology Data Exchange (ETDEWEB)
Cotta-Ramusino, P; Dell' Antonio, G [Freie Univ. Berlin (Germany, F.R.). Inst. fuer Theoretische Physik; Rome Univ. (Italy). Istituto di Matematica)
1979-11-01
We introduce for lattice gauge theories an analogue of the Pontrjagin index and a notion of 'selfduality' and 'antiselfduality'. Selfdual and antiselfdual configurations on the lattice have much of the same properties (with some remarkable differences) as the corresponding configurations on the continuum, to which they converge when the lattice spacing goes to zero.
A lattice QCD calculation of the transverse decay constant of the b1(1235) meson
International Nuclear Information System (INIS)
Jansen, K.; McNeile, C.; Michael, C.; Urbach, C.
2009-10-01
We review various B meson decays that require knowledge of the transverse decay constant of the b 1 (1235) meson. We report on an exploratory lattice QCD calculation of the transverse decay constant of the b 1 meson. The lattice QCD calculations used unquenched gauge configurations, at two lattice spacings, generated with two flavours of sea quarks. The twisted mass formalism is used. (orig.)
Lattice and algebra homomorphisms on C (X) in Zermelo-Fraenkel ...
African Journals Online (AJOL)
Let C (X) denote the lattice-ordered algebra of all real-valued continuous functions on a topological space X. This paper discusses in Zermelo-Fraenkel Set Theory the equivalence on C (X) between algebra homomorphisms, lattice homo- morphisms, and point evaluations. Keywords: Algebra homomorphism, lattice ...
Lattice artifacts in the non-Abelian Debye screening mass in one-loop order
International Nuclear Information System (INIS)
Kaste, P.; Rothe, H.J.
1997-01-01
We compute the electric screening mass in lattice QCD with Wilson fermions at finite temperature and chemical potential to one-loop order, and show that lattice artifacts arising from a finite lattice spacing result in an enhancement of the screening mass as compared to the continuum. We discuss the magnitude of this enhancement as a function of the temperature and chemical potential for lattices with a different number of lattice sites in the temporal direction that can be implemented in lattice simulations. Most of the enhancement is found to be due to the fermion loop contribution. copyright 1997 The American Physical Society
Absence of evidence for pentaquarks on the lattice
International Nuclear Information System (INIS)
Holland, Kieran; Juge, K. Jimmy
2006-01-01
We study the question of whether or not QCD predicts a pentaquark state Θ + . We use the improved, fixed point lattice QCD action which has very little sensitivity to the lattice spacing and also allows us to reach light quark masses. The analysis was performed on a single volume of size (1.8 fm) 3 x3.6 fm with lattice spacing of a=0.102 fm. We use the correlation matrix method to identify the ground and excited states in the isospin 0, negative parity channel. In the quenched approximation where dynamical quark effects are omitted, we do not find any evidence for a pentaquark resonance in QCD
Multisite Interactions in Lattice-Gas Models
Einstein, T. L.; Sathiyanarayanan, R.
For detailed applications of lattice-gas models to surface systems, multisite interactions often play at least as significant a role as interactions between pairs of adatoms that are separated by a few lattice spacings. We recall that trio (3-adatom, non-pairwise) interactions do not inevitably create phase boundary asymmetries about half coverage. We discuss a sophisticated application to an experimental system and describe refinements in extracting lattice-gas energies from calculations of total energies of several different ordered overlayers. We describe how lateral relaxations complicate matters when there is direct interaction between the adatoms, an issue that is important when examining the angular dependence of step line tensions. We discuss the connector model as an alternative viewpoint and close with a brief account of recent work on organic molecule overlayers.
Exotic meson decay widths using lattice QCD
International Nuclear Information System (INIS)
Cook, M. S.; Fiebig, H. R.
2006-01-01
A decay width calculation for a hybrid exotic meson h, with J PC =1 -+ , is presented for the channel h→πa 1 . This quenched lattice QCD simulation employs Luescher's finite box method. Operators coupling to the h and πa 1 states are used at various levels of smearing and fuzzing, and at four quark masses. Eigenvalues of the corresponding correlation matrices yield energy spectra that determine scattering phase shifts for a discrete set of relative πa 1 momenta. Although the phase shift data is sparse, fits to a Breit-Wigner model are attempted, resulting in a decay width of about 60 MeV when averaged over two lattice sizes having a lattice spacing of 0.07 fm
Lattice Boltzmann model for numerical relativity.
Ilseven, E; Mendoza, M
2016-02-01
In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.
Inelastic light scattering in crystals
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.
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)
The sequence d(CGGCGGCCGC) self-assembles into a two dimensional rhombic DNA lattice
International Nuclear Information System (INIS)
Venkadesh, S.; Mandal, P.K.; Gautham, N.
2011-01-01
Highlights: → This is the first crystal structure of a four-way junction with sticky ends. → Four junction structures bind to each other and form a rhombic cavity. → Each rhombus binds to others to form 'infinite' 2D tiles. → This is an example of bottom-up fabrication of a DNA nano-lattice. -- Abstract: We report here the crystal structure of the partially self-complementary decameric sequence d(CGGCGGCCGC), which self assembles to form a four-way junction with sticky ends. Each junction binds to four others through Watson-Crick base pairing at the sticky ends to form a rhombic structure. The rhombuses bind to each other and form two dimensional tiles. The tiles stack to form the crystal. The crystal diffracted in the space group P1 to a resolution of 2.5 A. The junction has the anti-parallel stacked-X conformation like other junction structures, though the formation of the rhombic net noticeably alters the details of the junction geometry.
Graphene antidot lattice waveguides
DEFF Research Database (Denmark)
Pedersen, Jesper Goor; Gunst, Tue; Markussen, Troels
2012-01-01
We introduce graphene antidot lattice waveguides: nanostructured graphene where a region of pristine graphene is sandwiched between regions of graphene antidot lattices. The band gaps in the surrounding antidot lattices enable localized states to emerge in the central waveguide region. We model...... the waveguides via a position-dependent mass term in the Dirac approximation of graphene and arrive at analytical results for the dispersion relation and spinor eigenstates of the localized waveguide modes. To include atomistic details we also use a tight-binding model, which is in excellent agreement...... with the analytical results. The waveguides resemble graphene nanoribbons, but without the particular properties of ribbons that emerge due to the details of the edge. We show that electrons can be guided through kinks without additional resistance and that transport through the waveguides is robust against...
Prediction of molecular crystal structures
International Nuclear Information System (INIS)
Beyer, Theresa
2001-01-01
The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol -1 of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy
Prediction of molecular crystal structures
Energy Technology Data Exchange (ETDEWEB)
Beyer, Theresa
2001-07-01
The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol{sup -1} of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy
Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases
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...
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
Diffusion in Coulomb crystals.
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.
International Nuclear Information System (INIS)
Chase, L.L.; Lee, H.W.H.
1988-12-01
Excitation of a transparent ZnS crystal by repetitive picosecond dye laser pulses causes an accumulated surface modification leading to optical damage. The onset of the damage is detected by an abrupt increase in the emission of neutral Zn (and possibly S 2 ) from the surface. Comparison of the neutral emission thresholds with pulse-pair and single-pulse excitation shows that linear absorption is the dominant laser-surface interaction. In general, this measurement technique shows considerable promise for investigating the possible influence of nonlinear absorption or excitation processes on damage mechanisms. The data suggest that heating of small absorbing regions produces the surface modification that leads to the observed surface ablation. The nature of the damage observed at fluences above the threshold suggests that it is caused by heating of a relatively large (/approximately/10 - 100 μm) surface region that has been modified by the accumulation pulses. 3 refs., 5 figs
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
Photoinduced crystallization and space charge limited current through Au/Se92.7S7.3/Au thin films
International Nuclear Information System (INIS)
EL-Barry, A.M.A.
2007-01-01
The present paper reports a study of photoinduced crystallization in thermally evaporated Se 92.7 S 7.3 films. The photoinduced crystallization was achieved by shining white light (from 25 mW/cm 2 tungsten lamp) at room temperature for different exposure times up to 5.184 Ms. The analysis of X-ray diffraction (XRD) patterns indicated that the grain size (D), the strain (ζ) and the dislocation density (δ) are photoaging dependent. The capacitance-voltage data confirmed that the relative permittivity of the films is equal to ∼10.31. Room temperature current density voltage characteristics of Au/Se 92.7 S 7.3 /Au films showed Ohmic conduction in the lower voltage range ∼<1 V, and space charge limited conductivity (SCLC) in the relatively high-voltage range. The SCLC was controlled by an exponential distribution of traps above the valence band. The temperature dependence of the current density in accordance with the theory for the exponential trap distributions allowed the calculation of some essential parameters such as; trap concentration, characteristic temperature, and the trap density
Takagi, Yoshihiro; Yamada, Yoshifumi; Ishikawa, Kiyoshi; Shimizu, Seiji; Sakabe, Shuji
2005-09-01
A simple method for single-shot sub-picosecond optical pulse diagnostics has been demonstrated by imaging the time evolution of the optical mixing onto the beam cross section of the sum-frequency wave when the interrogating pulse passes over the tested pulse in the mixing crystal as a result of the combined effect of group-velocity difference and walk-off beam propagation. A high linearity of the time-to-space projection is deduced from the process solely dependent upon the spatial uniformity of the refractive indices. A snap profile of the accidental coincidence between asynchronous pulses from separate mode-locked lasers has been detected, which demonstrates the single-shot ability.
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.
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...
Limit distribution function of inhomogeneities in regions with random boundary in the Hilbert space
International Nuclear Information System (INIS)
Rasulova, M.Yu.; Tashpulatov, S.M.
2004-10-01
The interaction of charged particle systems with a membrane consisting of nonhomogeneities which are randomly distributed by the same law in the vicinity of appropriate sites of a planax crystal lattice is studied. A system of equations for the self-consistent potential U 1 (x,ξ 0 ,..., ξ N ,...) and the density of induced charges σ(x,ξ 0 ,...,ξ N ,...) is solved on Hilbert space. (author)
Magnetic properties of checkerboard lattice: a Monte Carlo study
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.
International Nuclear Information System (INIS)
Liu, Zhaohong; Liu, Simin; Guo, Ru; Song, Tao; Zhu, Nan
2007-01-01
We study experimentally the interaction of a dark spot with a nonlinear photonic lattice with fully incoherent white light emitted from an incandescent bulb in the self-defocussing photovoltaic media when the dark spot is aimed at different positions of lattices with different lattice spacing. In this case a host of novel phenomena is demonstrated, including dark spot induced lattice dislocation-deformation, the annihilation of the dark spot and so on. Results demonstrate that the interaction between incoherent dark spot and photonic lattice is always attraction and the large-spacing photonic lattice is analogous to the continuous medium
International Nuclear Information System (INIS)
Krojts, M.
1987-01-01
The book by the known american physicist-theoretist M.Kreuts represents the first monography in world literature, where a new perspective direction in elementary particle physics and quantum field theory - lattice formulation of gauge theories is stated systematically. Practically all main ideas of this direction are given. Material is stated in systematic and understandable form
Phenomenology Using Lattice QCD
Gupta, R.
2005-08-01
This talk provides a brief summary of the status of lattice QCD calculations of the light quark masses and the kaon bag parameter BK. Precise estimates of these four fundamental parameters of the standard model, i.e., mu, md, ms and the CP violating parameter η, help constrain grand unified models and could provide a window to new physics.
International Nuclear Information System (INIS)
Bali, G.S.
2005-01-01
I comment on progress of lattice QCD techniques and calculations. Recent results on pentaquark masses as well as of the spectrum of excited baryons are summarized and interpreted. The present state of calculations of quantities related to the nucleon structure and of electromagnetic transition form factors is surveyed
Finite lattice extrapolation algorithms
International Nuclear Information System (INIS)
Henkel, M.; Schuetz, G.
1987-08-01
Two algorithms for sequence extrapolation, due to von den Broeck and Schwartz and Bulirsch and Stoer are reviewed and critically compared. Applications to three states and six states quantum chains and to the (2+1)D Ising model show that the algorithm of Bulirsch and Stoer is superior, in particular if only very few finite lattice data are available. (orig.)
Williamson, S. Gill
2010-01-01
Will the cosmological multiverse, when described mathematically, have easily stated properties that are impossible to prove or disprove using mathematical physics? We explore this question by constructing lattice multiverses which exhibit such behavior even though they are much simpler mathematically than any likely cosmological multiverse.
de Raedt, Hans; von der Linden, W.; Binder, K
1995-01-01
In this chapter we review methods currently used to perform Monte Carlo calculations for quantum lattice models. A detailed exposition is given of the formalism underlying the construction of the simulation algorithms. We discuss the fundamental and technical difficulties that are encountered and
Scott, Paul
2006-01-01
A "convex" polygon is one with no re-entrant angles. Alternatively one can use the standard convexity definition, asserting that for any two points of the convex polygon, the line segment joining them is contained completely within the polygon. In this article, the author provides a solution to a problem involving convex lattice polygons.
International Nuclear Information System (INIS)
Autin, B.
1984-01-01
After a description of the constraints imposed by the cooling of Antiprotons on the lattice of the rings, the reasons which motivate the shape and the structure of these machines are surveyed. Linear and non-linear beam optics properties are treated with a special amplification to the Antiproton Accumulator. (orig.)
International Nuclear Information System (INIS)
Akhiezer, A.I.; Davydov, L.N.; Spol'nik, Z.A.
1976-01-01
Oscillations of a nonideal crystal are studied, in which macroscopic defects (pores) form a hyperlattice. It is shown that alongside with acoustic and optical phonons (relative to the hyperlattice), in such a crystal oscillations of the third type are possible which are a hydridization of sound oscillations of atoms and surface oscillations of a pore. Oscillation spectra of all three types were obtained
Energy Technology Data Exchange (ETDEWEB)
Zhang, Limin, E-mail: zhanglm@lzu.edu.cn; Peng, Jinxin; Ai, Wensi; Zhang, Jiandong; Wang, Tieshan [School of Nuclear Science and Technology, Lanzhou University, Lanzhou, Gansu 730000 (China); Jiang, Weilin; Dissanayake, Amila; Zhu, Zihua; Shutthanandan, Vaithiyalingam [Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)
2016-06-28
Lattice disorder and compositional changes in In{sub x}Ga{sub 1-x}N (x = 0.32, 0.47, 0.7, 0.8, and 1.0) films on GaN/Al{sub 2}O{sub 3} substrates, induced by room-temperature irradiation of 5 MeV Xe ions, have been investigated using both Rutherford backscattering spectrometry under ion-channeling conditions and time-of-flight secondary ion mass spectrometry. The results show that for a fluence of 3 × 10{sup 13 }cm{sup −2}, the relative level of lattice disorder in In{sub x}Ga{sub 1-x}N increases monotonically from 59% to 90% with increasing indium concentration x from 0.32 to 0.7; a further increase in x up to 1.0 leads to little increase in the disorder level. In contrast to Ga-rich In{sub x}Ga{sub 1-x}N (x = 0.32 and 0.47), significant volume swelling of up to ∼25% accompanied with oxidation in In-rich In{sub x}Ga{sub 1-x}N (x = 0.7, 0.8, and 1.0) is observed. In addition, irradiation-induced atomic mixing occurs at the interface of In-rich In{sub x}Ga{sub 1-x}N and GaN. The results from this study indicate an extreme susceptibility of the high In-content In{sub x}Ga{sub 1-x}N to heavy-ion irradiation, and suggest that cautions must be exercised in applying ion-implantation techniques to these materials at room temperature. Further studies of the irradiation behavior at elevated temperatures are warranted.
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
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
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
The Quantum Space Phase Transitions for Particles and Force Fields
Chung D.-Y.; Krasnoholovets V.
2006-01-01
We introduce a phenomenological formalism in which the space structure is treated in terms of attachment space and detachment space. Attachment space attaches to an object, while detachment space detaches from the object. The combination of these spaces results in three quantum space phases: binary partition space, miscible space and binary lattice space. Binary lattice space consists of repetitive units of alternative attachment space and detachment spac...
Application to supersymmetric models of Dirac-kaehler formalism on the lattice
International Nuclear Information System (INIS)
Zimerman, A.H.
1987-01-01
Using Dirac-Kaehler techniques we formulate some supersymmetric models on the lattice. Specifically we consider the Wess-Zumino model with N=2 in two dimensions which is formulated on a space lattice in its Hamiltonian version (continuous time) as well as on the space-time lattice in its Lagrangean version (euclidean space). On the space lattice (Hamiltonian formulation) we study also the supersymmetric Yanh-Mills model with N=4 in four dimensions. After the introduction of lattice covariant derivatives for fields in the adjoint representation of a compact group we write down some new relations which we have obtained and which constitute generalizations on the lattice of those which are known in the continuous case. (author) [pt
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
Halo Mitigation Using Nonlinear Lattices
Sonnad, Kiran G
2005-01-01
This work shows that halos in beams with space charge effects can be controlled by combining nonlinear focusing and collimation. The study relies on Particle-in-Cell (PIC) simulations for a one dimensional, continuous focusing model. The PIC simulation results show that nonlinear focusing leads to damping of the beam oscillations thereby reducing the mismatch. It is well established that reduced mismatch leads to reduced halo formation. However, the nonlinear damping is accompanied by emittance growth causing the beam to spread in phase space. As a result, inducing nonlinear damping alone cannot help mitigate the halo. To compensate for this expansion in phase space, the beam is collimated in the simulation and further evolution of the beam shows that the halo is not regenerated. The focusing model used in the PIC is analysed using the Lie Transform perturbation theory showing that by averaging over a lattice period, one can reuduce the focusing force to a form that is identical to that used in the PIC simula...
Simulation and design of the photonic crystal microwave accelerating structure
International Nuclear Information System (INIS)
Song Ruiying; Wu Congfeng; He Xiaodong; Dong Sai
2007-01-01
The authors have derived the global band gaps for general two-dimensional (2D) photonic crystal microwave accelerating structures formed by square or triangular arrays of metal posts. A coordinate-space, finite-difference code was used to calculate the complete dispersion curves for the lattices. The fundamental and higher frequency global photonic band gaps were determined numerically. The structure formed by triangular arrays of metal posts with a missing rod at the center has advantages of higher-order-modes (HOM) suppression and main mode restriction under the condition of a/b<0.2. The relationship between the RF properties and the geometrical parameters have been studied for the 9.37 GHz photonic crystal accelerating structure. The Rs, Q, Rs/Q of the new structure may be comparable to the disk-loaded accelerating structure. (authors)