Density of states model for the lattice transformation in A-15 compounds

International Nuclear Information System (INIS)

Pietrass, B.; Handstein, A.; Behr, G.

1980-01-01

The cubic-tetragonal lattice transformation in A-15 compounds is described by an empirical model in which the density of states function near the Fermi energy is characterized by a two-parametric peak in addition to the constant part. Two types of peak splitting under tetragonal deformation are considered, leading to qualitatively different results about the phase transition. Results are given for the order parameter, the phase stability, the soft elastic modulus, and the paramagnetic spin susceptibility. Comparing with measurements of the magnetic susceptibility of V 3 Si single crystals near the phase transition a better agreement is obtained for a twofold degenerate density of states peak than for a threefold degenerate one. (author)

Glass ceramic toughened with tetragonal zirconia

Science.gov (United States)

Keefer, Keith D.; Michalske, Terry A.

1986-01-01

A phase transformation-toughened glass ceramic and a process for making it are disclosed. A mixture of particulate network-forming oxide, network-modifying oxide, and zirconium oxide is heated to yield a homogeneous melt, and this melt is then heat-treated to precipitate an appreciable quantity of tetragonal zirconia, which is retained at ambient temperature to form a phase transformation-toughened glass ceramic. Nucleating agents and stabilizing agents may be added to the mixture to facilitate processing and improve the ceramic's properties. Preferably, the mixture is first melted at a temperature from 1200.degree. to 1700.degree. C. and is then heat-treated at a temperature within the range of 800.degree. to 1200.degree. C. in order to precipitate tetragonal ZrO.sub.2. The composition, as well as the length and temperature of the heat-treatment, must be carefully controlled to prevent solution of the precipitated tetragonal zirconia and subsequent conversion to the monoclinic phase.

Residual stress relief due to fatigue in tetragonal lead zirconate titanate ceramics

International Nuclear Information System (INIS)

Hall, D. A.; Mori, T.; Comyn, T. P.; Ringgaard, E.; Wright, J. P.

2013-01-01

High energy synchrotron XRD was employed to determine the lattice strain ε{111}and diffraction peak intensity ratio R{200}in tetragonal PZT ceramics, both in the virgin poled state and after a bipolar fatigue experiment. It was shown that the occurrence of microstructural damage during fatigue was accompanied by a reduction in the gradient of the ε{111}–cos 2 ψ plot, indicating a reduction in the level of residual stress due to poling. In contrast, the fraction of oriented 90° ferroelectric domains, quantified in terms of R{200}, was not affected significantly by fatigue. The change in residual stress due to fatigue is interpreted in terms of a change in the average elastic stiffness of the polycrystalline matrix due to the presence of inter-granular microcracks

Residual stress relief due to fatigue in tetragonal lead zirconate titanate ceramics

Science.gov (United States)

Hall, D. A.; Mori, T.; Comyn, T. P.; Ringgaard, E.; Wright, J. P.

2013-07-01

High energy synchrotron XRD was employed to determine the lattice strain ɛ{111} and diffraction peak intensity ratio R{200} in tetragonal PZT ceramics, both in the virgin poled state and after a bipolar fatigue experiment. It was shown that the occurrence of microstructural damage during fatigue was accompanied by a reduction in the gradient of the ɛ{111}-cos2 ψ plot, indicating a reduction in the level of residual stress due to poling. In contrast, the fraction of oriented 90° ferroelectric domains, quantified in terms of R{200}, was not affected significantly by fatigue. The change in residual stress due to fatigue is interpreted in terms of a change in the average elastic stiffness of the polycrystalline matrix due to the presence of inter-granular microcracks.

Lattice parameters guide superconductivity in iron-arsenides

Science.gov (United States)

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

2017-03-01

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

Tetragonal and collapsed-tetragonal phases of CaFe2As2 : A view from angle-resolved photoemission and dynamical mean-field theory

Science.gov (United States)

van Roekeghem, Ambroise; Richard, Pierre; Shi, Xun; Wu, Shangfei; Zeng, Lingkun; Saparov, Bayrammurad; Ohtsubo, Yoshiyuki; Qian, Tian; Sefat, Athena S.; Biermann, Silke; Ding, Hong

2016-06-01

We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission spectroscopy and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined "screened exchange + dynamical mean field theory" scheme.

Crystal structure and properties of tetragonal EuAg4In8 grown by metal flux technique

International Nuclear Information System (INIS)

Subbarao, Udumula; Sarkar, Sumanta; Peter, Sebastian C.

2015-01-01

The compound EuAg 4 In 8 has been obtained as single crystals in high yield from reactions run in liquid indium. X-ray diffraction on single crystals suggests that EuAg 4 In 8 crystallizes in the CeMn 4 Al 8 structure type, tetragonal space group I4/mmm with lattice constants a=b=9.7937(2) Å and c=5.7492(2) Å. Crystal structure of EuAg 4 In 8 is composed of pseudo Frank–Kasper cages occupied by one europium atom in each ring, which are shared through the corner along the ab plane resulting in a three dimensional network. The magnetic susceptibility of EuAg 4 In 8 was measured in the temperature range 2–300 K, which obeyed Curie–Weiss law above 50 K. Magnetic moment value calculated from the fitting indicates the presence of divalent europium, which was confirmed by X-ray absorption near edge spectroscopy. Electrical resistivity measurements suggest that EuAg 4 In 8 is metallic in nature with a probable Fermi liquid behavior at low temperature. - Graphical abstract: The tetragonal EuAg 4 In 8 has been grown as single crystals from reactions run in liquid indium. Magnetic and XANES measurements suggest divalent nature of Eu and resistivity measurements suggest metallic nature. - Highlights: • EuAg 4 In 8 phase having tetragonal phase is grown by metal flux technique. • Magnetic and XANES measurements exhibit divalent nature of Eu in EuAg 4 In 8 . • Resistivity measurement suggests metallic nature and probable Fermi liquid behavior

Low temperature electron microscopy on the cubic-tetragonal transformation of V3Si

Science.gov (United States)

Onozuka, T.; Ohnishi, N.; Hirabayashi, M.

1988-04-01

The cubic-tetragonal martensitic transition of V3Si and its precursor have been investigated in the temperature range from 13 K to 80 K using a 1 MV electron microscope with a double-tilting cold stage. Below the transition temperature Tm = 19 K, fine twin lamellae appear parallel to {110} plane traces, being connected continuously with mottled striations having the same orientation. Fine striations along {110} traces or so-called tweeds are observed below 50 K at the precursor of the structural phase transition. The image contrast of mottled striations and tweed patterns is attributed to the presence of lattice distortion owing to the softening of the shear modulus. Reversible changes of the patterns recorded with a TV-VTR system during cooling and heating processes were discussed briefly.

Flux lattice melting in high-Tc superconductors

International Nuclear Information System (INIS)

Houghton, A.; Pelcovits, R.A.; Sudbo, A.

1989-01-01

We derive the wave-vector-dependent elastic moduli for a flux line lattice in compounds with underlying tetragonal crystalline symmetry. We find that it is essential to retain wave-vector dependence of the moduli when dealing with compounds where κ is large, as it is in the high-T c materials. We use our results to establish a Lindemann criterion for flux lattice melting, which we then compare with experimental data on two materials, and find excellent agreement. The melting curves are suppressed well below the mean-field superconducting-normal transition line and are linear in temperature over a wide range of magnetic fields. The point H=0, T=T c is approached as 1-T/T c ∼H 1/2 . The degree of suppression of the melting curves among the different compounds is accounted for in the main by differences in mass anisotropy

Tetragonal to orthorhombic transformation in Mg-PSZ

International Nuclear Information System (INIS)

Liu, Z.W.; Spargo, A.E.C.; Hannink, R.H.J.; Drennan, J.

1997-01-01

The phase transformation from tetragonal to orthorhombic in MgO-partially-stabilized zirconia has been investigated by using high resolution transmission electron microscopy (HRTEM). Evidences are given to show that orthorhombic ZrO 2 frequently observed in transmission electron microscopy (TEM) thin foil studies was induced by dimpling and polishing during the specimen preparation. It was also found that the orthorhombic to monoclinic transformation was less sensitive to stress that the tetragonal to monoclinic transformation. 20 refs., 1 tab., 8 figs

Structural Investigation of Photocatalyst Solid Ag1−xCuxInS2 Quaternary Alloys Sprayed Thin Films Optimized within the Lattice Compatibility Theory (LCT Scope

Directory of Open Access Journals (Sweden)

A. Colantoni

2014-01-01

Full Text Available CuxAg1−xInS2 solid thin films were fabricated through a low-cost process. Particular process-related enhanced properties lead to reaching a minimum of lattice mismatch between absorber and buffer layers within particular solar cell devices. First, copper-less samples X-ray diffraction analysis depicts the presence of AgInS2 ternary compound in chalcopyrite tetragonal phase with privileged (112 peak (d112=1.70 Å according to JCPDS 75-0118 card. Second, when x content increases, we note a shift of the same preferential orientation (112 and its value reaches 1.63 Å corresponding to CuInS2 chalcopyrite tetragonal material according to JCPDS 89-6095 file. Finally, the formation and stability of these quaternaries have been discussed in terms of the lattice compatibility in relation with silver-copper duality within indium disulfide lattice structure. Plausible explanations for the extent and dynamics of copper incorporation inside AgInS2 elaborated ternary matrices have been proposed.

Square vortex lattice in p-wave superconductors

International Nuclear Information System (INIS)

Shiraishi, J.

1999-01-01

Making use of the Ginzburg Landau equation for isotropic p-wave superconductors, we construct the single vortex solution in part analytically. The fourfold symmetry breaking term arising from the tetragonal symmetry distortion of the Fermi surface is crucial, since this term indicates a fourfold distortion of the vortex core somewhat similar to the one found in d-wave superconductors. This fourfold distortion of the vortex core in turn favors the square vortex lattice as observed recently by small angle neutron scattering (SANS) experiment from Sr 2 RuO 4 . We find that the hexagonal vortex lattice at H = H c1 transforms into the square one for H = H cr = 0.26 H c2 . On the other hand the SANS data does not reveal such transition. The square vortex covers everywhere studied by the SANS implying H cr is very close to H c1 . Therefore some improvement in the present model is certainly desirable. (orig.)

Phase Transformation and Lattice Parameter Changes of Non-trivalent Rare Earth-Doped YSZ as a Function of Temperature

Science.gov (United States)

Jiang, Shengli; Huang, Xiao; He, Zhang; Buyers, Andrew

2018-05-01

To examine the effect of doping/co-doping on high-temperature phase compositions of YSZ, stand-alone YSZ and CeO2 and Nb2O5 co-doped YSZ samples were prepared using mechanical alloy and high-temperature sintering. XRD analysis was performed on these samples from room temperature to 1100 °C. The results show that the structure for the co-doped samples tends to be thermally stable when the test temperature is higher than a critical value. Monoclinic phase was dominant in Nb2O5 co-doped YSZ at temperatures lower than 600 °C, while for the YSZ and CeO2 co-doped YSZ, cubic/tetragonal phase was dominant in the whole test temperature range. The lattice parameters for all the samples increase with increasing test temperature generally. The lattice parameters for the two non-trivalent rare earth oxides co-doped YSZ show that the lattice parameter a for the cubic phase of the Ce4+ co-doped YSZ is consistently greater than that of 7YSZ which is related to the presence of larger radius of Ce4+ in the matrix. The lattice parameters a, b, c for the monoclinic phase of Ce4+ co-doped YSZ are much closer to each other than that of the Nb5+ co-doped YSZ, indicating the former has better tendency to form cubic/tetragonal phase, which is desired for vast engineering applications.

Ferroelastic domain switching in tetragonal zirconia

International Nuclear Information System (INIS)

Chan, C.J.; Ruhle, M.; Jue, J.F.; Virkar, A.V.

1991-01-01

Ferroelastic domain switching is one of the possible toughening mechanisms in ceramic materials. Microstructural evidence of domain reorientation (switching) in polydomain tetragonal zirconia single crystals is observed upon the application of a unidirectional compressive stress. Dark field imaging of the three (112) tetragonal twin variants in a [111] zone indicates that two sets of twin variants grow at the expense of the third set upon application of uniaxial compression. The diminishing variant is the one with its c axis parallel to the compression axis. Indentation experiments on uniaxially compressed samples show an anisotropy in crack length. Crack propogates more easily along the loading direction. In this paper construction for the orientation relationship of domains and their twin boundaries is presented

Tetragonal-cubic phase boundary in nanocrystalline ZrO2-Y2O3 solid solutions synthesized by gel-combustion

International Nuclear Information System (INIS)

Fabregas, Ismael O.; Craievich, Aldo F.; Fantini, Marcia C.A.; Millen, Ricardo P.; Temperini, Marcia L.A.; Lamas, Diego G.

2011-01-01

Research highlights: → Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO 2 -Y 2 O 3 nanopowders, that exhibit the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms (t' and t'') and the cubic phase. → Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. → The crystallographic features of ZrO 2 -Y 2 O 3 nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. → Compositional t'/t'' and t''/cubic phase boundaries are located at (9 ± 1) and (10.5 ± 0.5) mol% Y 2 O 3 , respectively. → For the whole series of nanocrystalline ZrO 2 -Y 2 O 3 solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO 2 -Y 2 O 3 solid solutions, the presence at room temperature of three different phases depending on Y 2 O 3 content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO 2 -Y 2 O 3 solid solutions exhibit the same phases reported in the literature for compositionally homogeneous materials containing larger (micro

First principles study of the structural and electronic properties of double perovskite Ba2YTaO6 in cubic and tetragonal phases

International Nuclear Information System (INIS)

Deluque Toro, C.E.; Rodríguez M, Jairo Arbey; Landínez Téllez, D.A.; Moreno Salazar, N.O.; Roa-Rojas, J.

2014-01-01

The Ba 2 YTaO 6 double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba 2 YTaO 6 in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba 2 YTaO 6 (I4/m) phase is the most stable one. © 2013 Elsevier Science. All rights reserved

Determination of the crystallographic parameters of cubic-to-tetragonal martensitic transformation using the infinitesimal deformation approach and wechsler, lieberman, and read theory

Science.gov (United States)

Navruz, N.

2001-02-01

The aim of the present study is to discuss the infinitesimal deformation (ID) approach’s application and practical applicability. Therefore, ID theory was reformulated and applied to the face centered cubic (fcc) to body centered tetragonal (bct) martensitic transformation for the case of the (110) [bar 110] slip system as the lattice invariant shear (LIS). The analytical solutions for the habit plane orientation, the magnitude of the lattice invariant shear, the orientation relation between parent and product phases, etc. were derived for fcc to bct martensitic transformation in an Fe-7 pct Al-2 pct C alloy. In order to compare with phenomenological theory’s results, crystallographic parameters were also calculated by using Wechsler, Lieberman, and Read (W-L-R) phenomenological theory. Agreement between the two results obtained from ID approach and W-L-R theory was found to be excellent.

Adaptive ferroelectric state at morphotropic phase boundary: Coexisting tetragonal and rhombohedral phases

International Nuclear Information System (INIS)

Zhang, Yang; Xue, Dezhen; Wu, Haijun; Ding, Xiangdong; Lookman, Turab; Ren, Xiaobing

2014-01-01

With a focus on local symmetry, the microstructural basis for high piezoelectric performance in PbMg 1/3 Nb 2/3 O 3 –xPbTiO 3 (PMN–PT) ceramics at the morphotropic phase boundary (MPB) composition was investigated by means of convergent-beam electron diffraction analysis and twin diffraction pattern analysis. The local structure was found to consist of coexisting (1 0 1)-type tetragonal nanotwins and (0 0 1)-type rhombohedral nanotwins. A phenomenological theory based on crystallography is proposed to show that such nanoscale coexistence can give rise to an average monoclinic structure through strain accommodation. The average monoclinic structures (Ma and Mc) vary with temperature and composition due to the dependence on temperature and composition of the lattice parameters. Based on in situ X-ray diffraction data, we demonstrate how the polarization rotates across the MPB region in PMN–PT ceramics with varying temperatures and compositions

Dynamic Spin-Lattice Coupling and Nematic Fluctuations in NaFeAs

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Yu Li

2018-06-01

Full Text Available We use inelastic neutron scattering to study acoustic phonons and spin excitations in single crystals of NaFeAs, a parent compound of iron-pnictide superconductors. NaFeAs exhibits a tetragonal-to-orthorhombic structural transition at T_{s}≈58  K and a collinear antiferromagnetic order at T_{N}≈45  K. While longitudinal and out-of-plane transverse acoustic phonons behave as expected, the in-plane transverse acoustic phonons reveal considerable softening on cooling to T_{s} and then harden on approaching T_{N} before saturating below T_{N}. In addition, we find that spin-spin correlation lengths of low-energy magnetic excitations within the FeAs layer and along the c axis increase dramatically below T_{s} and show a weak anomaly across T_{N}. These results suggest that the electronic nematic phase present in the paramagnetic tetragonal phase is closely associated with dynamic spin-lattice coupling, possibly arising from the one-phonon–two-magnon mechanism.

Impact of crystalline defects and size on X-ray line broadening: A phenomenological approach for tetragonal SnO{sub 2} nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Muhammed Shafi, P.; Chandra Bose, A., E-mail: acbose@nitt.edu [Nanomaterials Laboratory, Department of Physics, National Institute of Technology, Trichy – 620015 (India)

2015-05-15

Nanocrystalline tin oxide (SnO{sub 2}) powders with different grain size were prepared by chemical precipitation method. The reaction was carried out by varying the period of hydrolysis and the as-prepared samples were annealed at different temperatures. The samples were characterized using X-ray powder diffractometer and transmission electron microscopy. The microstrain and crystallite size were calculated for all the samples by using Williamson-Hall (W-H) models namely, isotropic strain model (ISM), anisotropic strain model (ASM) and uniform deformation energy density model (UDEDM). The morphology and particle size were determined using TEM micrographs. The directional dependant young’s modulus was modified as an equation relating elastic compliances (s{sub ij}) and Miller indices of the lattice plane (hkl) for tetragonal crystal system and also the equation for elastic compliance in terms of stiffness constants was derived. The changes in crystallite size and microstrain due to lattice defects were observed while varying the hydrolysis time and the annealing temperature. The dependence of crystallite size on lattice strain was studied. The results were correlated with the available studies on electrical properties using impedance spectroscopy.

Collapsed tetragonal phase as a strongly covalent and fully nonmagnetic state: Persistent magnetism with interlayer As-As bond formation in Rh-doped Ca0 .8Sr0 .2Fe2As2

Science.gov (United States)

Zhao, K.; Glasbrenner, J. K.; Gretarsson, H.; Schmitz, D.; Bednarcik, J.; Etter, M.; Sun, J. P.; Manna, R. S.; Al-Zein, A.; Lafuerza, S.; Scherer, W.; Cheng, J. G.; Gegenwart, P.

2018-02-01

A well-known feature of the CaFe2As2 -based superconductors is the pressure-induced collapsed tetragonal phase that is commonly ascribed to the formation of an interlayer As-As bond. Using detailed x-ray scattering and spectroscopy, we find that Rh-doped Ca0.8Sr0.2Fe2As2 does not undergo a first-order phase transition and that local Fe moments persist despite the formation of interlayer As-As bonds. Our density functional theory calculations reveal that the Fe-As bond geometry is critical for stabilizing magnetism and the pressure-induced drop in the c lattice parameter observed in pure CaFe2As2 is mostly due to a constriction within the FeAs planes. The collapsed tetragonal phase emerges when covalent bonding of strongly hybridized Fe 3 d and As 4 p states completely wins out over their exchange splitting. Thus the collapsed tetragonal phase is properly understood as a strong covalent phase that is fully nonmagnetic with the As-As bond forming as a by-product.

Structural study on cubic-tetragonal transition of CH3NH3PbI3

International Nuclear Information System (INIS)

Kawamura, Yukihiko; Mashiyama, Hiroyuki; Hasebe, Katsuhiko

2002-01-01

The cubic-tetragonal phase transition of CH 3 NH 3 PbI 3 was investigated by single crystal X-ray diffractometry. The crystal structure was refined at five temperatures in the tetragonal phase. The PbI 6 octahedron rotates around the c-axis alternatively to construct the SrTiO 3 -type tetragonal structure. A methylammonium ion is partially ordered; 24 disordered states in the cubic phase are reduced to 8. With decreasing temperature, the rotation angle of the octahedron increases monotonically, which indicates it is an order parameter of the cubic-tetragonal transition. (author)

First-principles investigation of mechanical and electronic properties of tetragonal NbAl3 under tension

Science.gov (United States)

Jiao, Zhen; Liu, Qi-Jun; Liu, Fu-Sheng; Tang, Bin

2018-06-01

Using the density functional theory calculations, the mechanical and electronic properties of NbAl3 under different tensile loads were investigated. The calculated lattice parameters, elastic constants and mechanical properties (bulk modulus, shear modulus, Young's modulus, Poisson's ratio, Pugh's criterion and Cauchy's pressure) indicated that our results were in agreement with the published experimental and theoretical data at zero tension. With respect to NbAl3 under tension in this paper, the crystal structure was changed from tetragonal to orthorhombic under tension along the [100] and [101] directions. The NbAl3 crystal has been classified as brittle material under tension from 0 to 20 GPa. The obtained Young's modulus and Debye temperature monotonically decreased with increasing tension stress. Combining with mechanical and electronic properties in detail, the decreased mechanical properties were mainly due to the weakening of covalency.

Mixed (oxigen ion and n-type) conductivity and structural characterization of stabilized tetragonal zirconia in the ZrO{sub 2}-CeO{sub 2}-TiO{sub 2} system

Energy Technology Data Exchange (ETDEWEB)

Capel, F.; Moure, C.; Duran, P. [Consejo Nacional de Investigaciones Cientificas, Madrid (Spain). Ist. de Ceramica y Vidrio

2002-07-01

By using X-ray diffraction lattice parameter measurements and Raman spectroscopy studies, the solid solubility limits of titania in ceria tetragonal zirconia solid solutions (Ce-TZP, 12 mol % CeO{sub 2}) have been established. Electrical properties of the mixed conductor TiO{sub 2}-CeTZP containing 5 and 10 mol % TiO{sub 2} were measured at the 300 C to 900 C temperature range in air and in reduced oxygen partial pressures. (orig.)

Tetragonal-cubic phase boundary in nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions synthesized by gel-combustion

Energy Technology Data Exchange (ETDEWEB)

Fabregas, Ismael O. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Craievich, Aldo F.; Fantini, Marcia C.A. [Instituto de Fisica, Universidade de Sao Paulo, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Millen, Ricardo P.; Temperini, Marcia L.A. [Instituto de Quimica, Universidade de Sao Paulo, Avenida Prof. Lineu Prestes 748, Cidade Universitaria, 05508-900 Sao Paulo (Brazil); Lamas, Diego G., E-mail: dlamas@uncoma.edu.ar [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Laboratorio de Caracterizacion de Materiales, Facultad de Ingenieria, Universidad Nacional del Comahue, Buenos Aires 1400, (8300) Neuquen Capital, Prov. de Neuquen (Argentina)

2011-04-21

Research highlights: > Gel-combustion synthesis yields compositionally homogeneous, single-phased ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders, that exhibit the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms (t' and t'') and the cubic phase. > Phase identification can be achieved by synchrotron XPD (SXPD) and Raman spectroscopy since the tetragonal forms and the cubic phase can be distinguished by these techniques. > The crystallographic features of ZrO{sub 2}-Y{sub 2}O{sub 3} nanopowders were determined by SXPD. They are similar to those reported by Yashima and coworkers for compositionally homogeneous materials containing larger (micro)crystals. However, the lattice parameters are slightly different and the axial ratios c/a of our t' samples are smaller than those reported by these authors. > Compositional t'/t'' and t''/cubic phase boundaries are located at (9 {+-} 1) and (10.5 {+-} 0.5) mol% Y{sub 2}O{sub 3}, respectively. > For the whole series of nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions studied in the present work, no evidences of the presence of a mixture of phases - as reported by Yashima and coworkers for microcrystalline solid solutions - were detected. - Abstract: By means of synchrotron X-ray powder diffraction (SXPD) and Raman spectroscopy, we have detected, in a series of nanocrystalline and compositionally homogeneous ZrO{sub 2}-Y{sub 2}O{sub 3} solid solutions, the presence at room temperature of three different phases depending on Y{sub 2}O{sub 3} content, namely two tetragonal forms and the cubic phase. The studied materials, with average crystallite sizes within the range 7-10 nm, were synthesized by a nitrate-citrate gel-combustion process. The crystal structure of these phases was also investigated by SXPD. The results presented here indicate that the studied nanocrystalline ZrO{sub 2}-Y{sub 2}O{sub 3} solid

Spin and lattice structures of single-crystalline SrFe2As2

Science.gov (United States)

Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

2008-10-01

We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

Shear deformation and relaxed lattice constant of (Ga,Mn)As layers on GaAs(113)A

Energy Technology Data Exchange (ETDEWEB)

Dreher, Lukas; Daeubler, Joachim; Glunk, Michael; Schoch, Wladimir; Limmer, Wolfgang; Sauer, Rolf [Institut fuer Halbleiterphysik, Universitaet Ulm, D-89069 Ulm (Germany)

2008-07-01

The shear deformation and the relaxed lattice constant of compressively strained (Ga,Mn)As layers with Mn concentrations of up to 5%, pseudomorphically grown on GaAs(113)A and GaAs(001) substrates by low-temperature molecular-beam epitaxy, have been studied by high resolution X-ray diffraction (HRXRD) measurements. Rocking curves reveal a triclinic distortion of the (113)A layers with a shear direction towards the [001] crystallographic axis, whereas the (001) layers are tetragonally distorted along [001]. The relaxed lattice constants were derived from {omega}-2{theta} scans for the symmetric (113) and (004) Bragg reflections, taking the elastic anisotropy of the cubic system into account. The increase of the lattice constant with Mn content has been found to be smaller for the (113)A layers than for the (001) layers, presumably due to the enhanced amount of excess As in the (113)A layers.

First principles study of the structural and electronic properties of double perovskite Ba{sub 2}YTaO{sub 6} in cubic and tetragonal phases

Energy Technology Data Exchange (ETDEWEB)

Deluque Toro, C.E., E-mail: deluquetoro@gmail.com [Grupo de Nuevos Materiales, Universidad Popular del Cesar, Valledupar (Colombia); Rodríguez M, Jairo Arbey [Grupo de Estudios de Materiales—GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Landínez Téllez, D.A. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Moreno Salazar, N.O. [Departamento de Física, Universidade Federal de Sergipe (Brazil); Roa-Rojas, J. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)

2014-12-15

The Ba{sub 2}YTaO{sub 6} double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba{sub 2}YTaO{sub 6} in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba{sub 2}YTaO{sub 6} (I4/m) phase is the most stable one. {sup ©} 2013 Elsevier Science. All rights reserved.

A comprehensive investigation of tetragonal Gd-doped BiVO{sub 4} with enhanced photocatalytic performance under sun-light

Energy Technology Data Exchange (ETDEWEB)

Luo, Yangyang; Tan, Guoqiang, E-mail: tan3114@163.com; Dong, Guohua; Ren, Huijun; Xia, Ao

2016-02-28

Graphical abstract: - Highlights: • Tetragonal Gd-BiVO{sub 4} with enhanced photocatalytic activity was synthesized. • Gd doping can induce the phase transition from monoclinic to tetragonal BiVO{sub 4}. • GdVO{sub 4} seeds as crystal nucleus dominate the formation of tetragonal Gd-BiVO{sub 4}. • Tetragonal Gd-BiVO{sub 4} exhibits the excellent separation of electrons and holes. • The contribution of high photocatalytic activity under sun-light is from UV-light. - Abstract: Tetragonal Gd-doped BiVO{sub 4} having enhanced photocatalytic activity have been synthesized by a facile microwave hydrothermal method. The structural analysis indicates that Gd doping can induce the phase transition from monoclinic to tetragonal BiVO{sub 4}. The reaction results in precursor solutions imply that tetragonal GdVO{sub 4} seeds as crystal nucleus are the original and determined incentives to force the formation of tetragonal Gd-BiVO{sub 4}. The influences of the surface defect, band structure, and BET surface area on the improved photocatalytic activities of tetragonal Gd-doped BiVO{sub 4} are investigated systematically. The results demonstrate that the more surface oxygen deficiencies as active sites and the excellent mobility and separation of photogenerated electrons and holes are beneficial to the enhancement of the photocatalytic performance of tetragonal Gd-BiVO{sub 4}. The RhB photodegradation experiments indicate that the contribution of high photocatalytic activities under simulated sun-light is mainly from UV-light region due to the tetragonal structure feature. The best photocatalytic performance is obtained for tetragonal 10 at% Gd-BiVO{sub 4}, of which the RhB degradation rate can reach to 96% after 120 min simulated sun-light irradiation. The stable tetragonal Gd-BiVO{sub 4} with efficient mineralization will be a promising photocatalytic material applied in water purification.

Pressure induced phase transitions in ceramic compounds containing tetragonal zirconia

Energy Technology Data Exchange (ETDEWEB)

Sparks, R.G.; Pfeiffer, G.; Paesler, M.A.

1988-12-01

Stabilized tetragonal zirconia compounds exhibit a transformation toughening process in which stress applied to the material induces a crystallographic phase transition. The phase transition is accompanied by a volume expansion in the stressed region thereby dissipating stress and increasing the fracture strength of the material. The hydrostatic component of the stress required to induce the phase transition can be investigated by the use of a high pressure technique in combination with Micro-Raman spectroscopy. The intensity of Raman lines characteristic for the crystallographic phases can be used to calculate the amount of material that has undergone the transition as a function of pressure. It was found that pressures on the order of 2-5 kBar were sufficient to produce an almost complete transition from the original tetragonal to the less dense monoclinic phase; while a further increase in pressure caused a gradual reversal of the transition back to the original tetragonal structure.

Ground state structure of U2Mo: static and lattice dynamics study

International Nuclear Information System (INIS)

Mukherjee, D.; Sahoo, B.D.; Joshi, K.D.; Kaushik, T.C.

2016-01-01

According to experimental reports, the ground state stable structure of U 2 Mo is tetragonal. However, various theoretical studies performed in past do not get tetragonal phase as the stable structure at ambient conditions. Therefore, the ground state structure of U 2 Mo is still unresolved. In an attempt to understand the ground state properties of this system, we have carried out first principle electronic band structure calculations. The structural stability analysis carried out using evolutionary structure search algorithm in conjunction with ab-inito method shows that a hexagonal structure (space group P6/mmm) is the lowest enthalpy structure at ambient condition and remains stable upto 200 GPa. The elastic and lattice dynamical stability further supports the stability of this phase at ambient condition. Further, using the 0 K calculations in conjunction with finite temperature corrections, we have derived the isotherm and shock adiabat (Hugoniot) of this material. Various equilibrium properties such as ambient pressure volume, bulk modulus, pressure derivative of bulk modulus etc. are derived from equation of state. (author)

Fe-Vacancy-Induced Ferromagnetism in Tetragonal FeSe Thin Films

International Nuclear Information System (INIS)

Yong-Feng, Li; Gui-Bin, Liu; Li-Jie, Shi; Bang-Gui, Liu

2009-01-01

Motivated by recent experiments, we investigate structural, electronic, and magnetic properties of tetragonal FeSe with Fe vacancies using the state-of-the-art first-principles method. We show that Fe vacancies tend to stay in the same one of the two sublattices and thus induce ferromagnetism in the ground-state phase. Our calculated net moment is in good agreement with the experimental data available. Therefore, the ferromagnetism observed in tetragonal FeSe thin films is explained. It could be made controllable soon for spintronic applications

Persistent Fe moments in the normal-state collapsed-tetragonal phase of the pressure-induced superconductor Ca0.67Sr0.33Fe2As2

Science.gov (United States)

Jeffries, J. R.; Butch, N. P.; Lipp, M. J.; Bradley, J. A.; Kirshenbaum, K.; Saha, S. R.; Paglione, J.; Kenney-Benson, C.; Xiao, Y.; Chow, P.; Evans, W. J.

2014-10-01

Using nonresonant Fe Kβ x-ray emission spectroscopy, we reveal that Sr substitution into CaFe2As2 decouples the Fe moment from the volume collapse transition, yielding a collapsed-tetragonal, paramagnetic normal state out of which superconductivity develops. X-ray diffraction measurements implicate the c-axis lattice parameter as the controlling criterion for the Fe moment, promoting a generic description for the appearance of pressure-induced superconductivity in the alkaline-earth-based 122 ferropnictides (AFe2As2). The evolution of Tc with pressure lends support to theories for superconductivity involving unconventional pairing mediated by magnetic fluctuations.

Square-lattice magnetism of diaboleite Pb2Cu(OH)4Cl2

Science.gov (United States)

Tsirlin, Alexander A.; Janson, Oleg; Lebernegg, Stefan; Rosner, Helge

2013-02-01

We report on the quasi-two-dimensional magnetism of the natural mineral diaboleite Pb2Cu(OH)4Cl2 with a tetragonal crystal structure, which is closely related to that of the frustrated spin-(1)/(2) magnet PbVO3. Magnetic susceptibility of diaboleite is well described by a Heisenberg spin model on a diluted square lattice with the nearest-neighbor exchange of J≃35 K and about 5% of nonmagnetic impurities. The dilution of the spin lattice reflects the formation of Cu vacancies that are tolerated by the crystal structure of diaboleite. The weak coupling between the magnetic planes triggers the long-range antiferromagnetic order below TN≃11 K. No evidence of magnetic frustration is found. We also analyze the signatures of the long-range order in heat-capacity data, and discuss the capability of identifying magnetic transitions with heat-capacity measurements.

Negligible substrate clamping effect on piezoelectric response in (111)-epitaxial tetragonal Pb(Zr, Ti)O3 films

International Nuclear Information System (INIS)

Yamada, Tomoaki; Yasumoto, Jun; Ito, Daisuke; Yoshino, Masahito; Nagasaki, Takanori; Sakata, Osami; Imai, Yasuhiko; Kiguchi, Takanori; Shiraishi, Takahisa; Shimizu, Takao; Funakubo, Hiroshi

2015-01-01

The converse piezoelectric responses of (111)- and (001)-epitaxial tetragonal Pb(Zr 0.35 Ti 0.65 )O 3 [PZT] films were compared to investigate the orientation dependence of the substrate clamping effect. Synchrotron X-ray diffraction (XRD) and piezoelectric force microscopy revealed that the as-grown (111)-PZT film has a polydomain structure with normal twin boundaries that are changed by the poling process to inclined boundaries, as predicted by Romanov et al. [Phys. Status Solidi A 172, 225 (1999)]. Time-resolved synchrotron XRD under bias voltage showed the negligible impact of substrate clamping on the piezoelectric response in the (111)-PZT film, unlike the case for (001)-PZT film. The origin of the negligible clamping effect in the (111)-PZT film is discussed from the viewpoint of the elastic properties and the compensation of lattice distortion between neighboring domains

Phase field modelling of precipitate morphologies in systems with tetragonal interfacial free energy anisotropy

OpenAIRE

Roy, Arijit; Gururajan, M P

2017-01-01

A wide variety of morphologies arise due to the tetragonal anisotropy in interfacial free energy. In this paper, we report on a family of Extended Cahn-Hilliard (ECH) models for incorporating tetragonal anisotropy in interfacial free energy. We list the non-zero and independent parameters that are introduced in our model and list the constraints on them. For appropriate choice of these parameters, our model can produce a many of the morphologies seen in tetragonal systems such as di-pyramids,...

Nucleation in stress-induced tetragonal-monoclinic transformation of constrained zirconia

International Nuclear Information System (INIS)

Chan, S.K.

1992-08-01

A theory for stress-induced tetragonal→monoclinic transformation of constrained zirconia is presented based on the assumption that when forcibly strained to a regime of absolute instability where the free energy density of the tetragonal phase has a negative curvature, the constrained tetragonal zirconia becomes unstable with respect to the development of a modulated strain pattern that will evolve into a band of twin monoclinic domains. The temperature range for such an instability, the critical size of the inclusion, the corresponding critical strain, and the periodicity of the modulation are derived in terms of parameters that can be related to the elastic stiffness coefficients of various orders of the inclusion and the shear modulus of the host matrix. An entirely different mechanism is suggested for the reverse monoclinic→tetragonal transformation because the monoclinic phase is metastable when the extrinsic stress is removed. Estimates for the parameters are inferred from a variety of experimental data for pure zirconia and the numerical values for the predicted physical quantities are obtained

Formation of metastable tetragonal zirconia nanoparticles: Competitive influence of the dopants and surface state

Energy Technology Data Exchange (ETDEWEB)

Gorban, Oksana, E-mail: matscidep@aim.com [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Synyakina, Susanna; Volkova, Galina; Gorban, Sergey; Konstantiova, Tetyana [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Lyubchik, Svetlana, E-mail: s_lyubchik@yahoo.com [REQUIMTE, Universida de Nova de Lisboa, 2829-516 Caparica (Portugal)

2015-12-15

The effect of the surface modification of the nanoparticles of amorphous and crystalline partially stabilized zirconia by fluoride ions on stability of the metastable tetragonal phase was investigated. Based on the DSC, titrimetry and FTIR spectroscopy data it was proven that surface modification of the xerogel resulted from an exchange of the fluoride ions with the basic OH groups. The effect of the powder pre-calcination temperature before modification on the formation of metastable tetragonal phase in partially stabilized zirconia was investigated. It was shown that the main factor of tetragonal zirconia stabilization is the state of nanoparticles surface at pre-crystallization temperatures.

Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia

International Nuclear Information System (INIS)

Boysen, H.; Frey, F.

1991-01-01

The tetragonal (t) to monoclinic (m) transformation in pure ZrO 2 was investigated by neutron powder diffraction at temperatures between 1900 K and room temperature. The results of a Rietveld analysis are compared with a previous investigation of the m → t transformation. The t → m transformation takes place near 1200 K (implaying a hysteresis of 300 K) and in a much smaller interval (about 150 K compared with about 600 K in the m → t case). There are no indications of a two-stage process as found for the m → t transformation. The structural parameters of the m phase depend only on temperature while those of the t phase differ at the same temperatures for the forward and reverse transformation. The temperature dependence of the lattice constants suggests an orientational relationship a t parallela m * and c t parallelb m . There are no macrostrains whereas the overall microstrain behaviour is similar in both cases, viz. the large microstrains present in both phases are released within the transformation regime. An analysis of temperature factors and diffuse background suggest dynamical disorder in the t phase and static disorder in the m phase. (orig.)

Negligible substrate clamping effect on piezoelectric response in (111)-epitaxial tetragonal Pb(Zr, Ti)O{sub 3} films

Energy Technology Data Exchange (ETDEWEB)

Yamada, Tomoaki, E-mail: t-yamada@nucl.nagoya-u.ac.jp [Department of Materials, Physics and Energy Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); PRESTO, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Yasumoto, Jun; Ito, Daisuke; Yoshino, Masahito; Nagasaki, Takanori [Department of Materials, Physics and Energy Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Sakata, Osami [Synchrotron X-ray Station at SPring-8 and Synchrotron X-ray Group, National Institute for Materials Science, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Department of Innovative and Engineered Material, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Imai, Yasuhiko [Japan Synchrotron Radiation Research Institute, SPring-8, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Kiguchi, Takanori [Institute for Materials Research, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Shiraishi, Takahisa; Shimizu, Takao; Funakubo, Hiroshi [Department of Innovative and Engineered Material, Tokyo Institute of Technology, Yokohama 226-8503 (Japan)

2015-08-21

The converse piezoelectric responses of (111)- and (001)-epitaxial tetragonal Pb(Zr{sub 0.35}Ti{sub 0.65})O{sub 3} [PZT] films were compared to investigate the orientation dependence of the substrate clamping effect. Synchrotron X-ray diffraction (XRD) and piezoelectric force microscopy revealed that the as-grown (111)-PZT film has a polydomain structure with normal twin boundaries that are changed by the poling process to inclined boundaries, as predicted by Romanov et al. [Phys. Status Solidi A 172, 225 (1999)]. Time-resolved synchrotron XRD under bias voltage showed the negligible impact of substrate clamping on the piezoelectric response in the (111)-PZT film, unlike the case for (001)-PZT film. The origin of the negligible clamping effect in the (111)-PZT film is discussed from the viewpoint of the elastic properties and the compensation of lattice distortion between neighboring domains.

The magnetic Curie temperature and exchange coupling between cations in tetragonal spinel oxide Mn{sub 2.5}M{sub 0.5}O{sub 4} (M = Co, Ni, Mn, Cr, and Mg) films

Energy Technology Data Exchange (ETDEWEB)

Kuo, K.; Cheng, C. W.; Chern, G. [Physics Department and SPIN Research Center, National Chung Cheng University, Chia-Yi, Taiwan, 621 (China)

2012-04-01

Mn{sub 3}O{sub 4} is a Jahn-Taller tetragonal ferrite that has a relatively low Curie temperature (T{sub c}) of {approx}43 K due to weak coupling between the canting spins. In this study, we fabricated a series of 100-nm-thick Mn{sub 2.5}M{sub 0.5}O{sub 4} (M = Co, Ni, Mn, Cr, and Mg) films via oxygen-plasma-assisted molecular beam epitaxy and measured the structural and magnetic properties of these films. These films show single phase quality, and the c-axis lattice parameter of pure Mn{sub 3}O{sub 4} is 0.944 nm, with a c/a ratio {approx}1.16, consistent with the bulk values. The replacement of Mn by M (M = Co, Ni, Cr, and Mg) changes the lattice parameters, and the c/a ratio varies between 1.16 and 1.06 depending upon the cation distribution of the films. The magnetic Curie temperatures of these films also vary in the range of 25-66 K in that Ni and Co enhance the T{sub c} whereas Mg reduces the T{sub c} (Cr shows no effect on the T{sub c}). These changes to the T{sub c} are related to both the element electronic state and the cation distributions in these compounds. As a non-collinear spin configuration can induce electrical polarization, the present study provides a systematic way to enhance the magnetic transition temperature in tetragonal spinel ferrites.

Tetragonal BiFeO3 on yttria-stabilized zirconia

International Nuclear Information System (INIS)

Liu, Heng-Jui; Du, Yu-Hao; Gao, Peng; Ikuhara, Yuichi; Huang, Yen-Chin; Chen, Yi-Chun; Chen, Hsiao-Wen; Liu, Hsiang-Lin; He, Qing; Chu, Ying-Hao

2015-01-01

High structural susceptibility of multiferroic BiFeO 3 (BFO) makes it a potential replacement of current Pb-based piezoelectrics. In this study, a tetragonal phase is identified based on a combination of x-ray diffraction, scanning transmission electronic microscopy, x-ray absorption spectroscopy, and Raman spectroscopy when BFO is grown on yttria-stabilized zirconia (YSZ) substrates. To distinguish the discrepancy between this tetragonal phase and common cases of monoclinic BFO, piezoelectric force microscopy images and optical property are also performed. It shows a lower electrostatic energy of ferroelectric domains and a large reduction of band gap for BFO grown on YSZ substrate comparing to the well-known one grown on LaAlO 3 substrate. Our findings in this work can provide more insights to understand the structural diversity of multiferroic BFO system for further applications

Tetragonal To Collapsed Tetragonal Phase Transition In BaFe2As2 and CaFe2As2

International Nuclear Information System (INIS)

Mittal, R.; Mishra, S. K.; Chaplot, S. L.; Ovsyannikov, S. V.; Trots, D. M.; Dubrovinsky, L.; Greenberg, E.; Su, Y.; Brueckel, Th.; Matsuishi, S.; Hosono, H.; Garbarino, G.

2010-01-01

Superconductivity in MFe 2 As 2 (M = Ba, Ca) compounds appears either at a critical doping level at ambient pressure or in the parent compound itself by application of pressure above a critical value. We report high pressure powder x-ray diffractions studies for these compounds at 300 K up to about 56 GPa using membrane diamond anvil cells. The measurements for BaFe 2 As 2 show a new tetragonal to collapsed tetragonal phase transition at about 22 GPa that remains stable upto 56 GPa. CaFe 2 As 2 is already known to transform to collapsed phase at 1.7 GPa at 300 K. Our measurements on CaFe 2 As 2 do not show any post collapsed phase transition on increase of pressure 50 GPa at 300 K. It is important to note that the transition in both compounds occurs when they are compressed to almost the same value of the unit cell volume and attain similar c t /a t ratios. We present a detailed analysis of the pressure dependence and structure phase transitions as well as equation of state in these important FeAs compounds that should be useful in the context of possible superconductivity in the collapsed phase.

Electro-optical properties of tetragonal KNbO 3

Indian Academy of Sciences (India)

Linear electro-optical tensor coefficients and optical susceptibility of tetragonal KNbO3 are calculated using a formalism based on bond charge theory. Results are in close agreement with the experimental data. The covalent Nb–O bonding network comprising the distorted NbO6 octahedral groups in the structure is found to ...

Transition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mössbauer spectroscopy

Science.gov (United States)

Bud'ko, Sergey L.; Ma, Xiaoming; Tomić, Milan; Ran, Sheng; Valentí, Roser; Canfield, Paul C.

2016-01-01

Temperature dependent measurements of 57Fe Mössbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area, and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ˜25 % on cooling from room temperature to ˜100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements, we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe-As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.

Tetragonal zirconia quantum dots in silica matrix prepared by a modified sol-gel protocol

Science.gov (United States)

Verma, Surbhi; Rani, Saruchi; Kumar, Sushil

2018-05-01

Tetragonal zirconia quantum dots (t-ZrO2 QDs) in silica matrix with different compositions ( x)ZrO2-(100 - x)SiO2 were fabricated by a modified sol-gel protocol. Acetylacetone was added as a chelating agent to zirconium propoxide to avoid precipitation. The powders as well as thin films were given thermal treatment at 650, 875 and 1100 °C for 4 h. The silica matrix remained amorphous after thermal treatment and acted as an inert support for zirconia quantum dots. The tetragonal zirconia embedded in silica matrix transformed into monoclinic form due to thermal treatment ≥ 1100 °C. The stability of tetragonal phase of zirconia is found to enhance with increase in silica content. A homogenous dispersion of t-ZrO2 QDs in silica matrix was indicated by the mapping of Zr, Si and O elements obtained from scanning electron microscope with energy dispersive X-ray analyser. The transmission electron images confirmed the formation of tetragonal zirconia quantum dots embedded in silica. The optical band gap of zirconia QDs (3.65-5.58 eV) was found to increase with increase in zirconia content in silica. The red shift of PL emission has been exhibited with increase in zirconia content in silica.

Tetragonal BiFeO{sub 3} on yttria-stabilized zirconia

Energy Technology Data Exchange (ETDEWEB)

Liu, Heng-Jui [Department of Materials Science Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Department of Physics, National Taiwan Normal University, Taipei 11677, Taiwan (China); Du, Yu-Hao [Department of Materials Science Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Gao, Peng; Ikuhara, Yuichi [Institute of Engineering Innovation, The University of Tokyo, Tokyo 113-8656 (Japan); Huang, Yen-Chin; Chen, Yi-Chun [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China); Chen, Hsiao-Wen; Liu, Hsiang-Lin [Department of Physics, National Taiwan Normal University, Taipei 11677, Taiwan (China); He, Qing [Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Chu, Ying-Hao, E-mail: yhc@nctu.edu.tw [Department of Materials Science Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China)

2015-11-01

High structural susceptibility of multiferroic BiFeO{sub 3} (BFO) makes it a potential replacement of current Pb-based piezoelectrics. In this study, a tetragonal phase is identified based on a combination of x-ray diffraction, scanning transmission electronic microscopy, x-ray absorption spectroscopy, and Raman spectroscopy when BFO is grown on yttria-stabilized zirconia (YSZ) substrates. To distinguish the discrepancy between this tetragonal phase and common cases of monoclinic BFO, piezoelectric force microscopy images and optical property are also performed. It shows a lower electrostatic energy of ferroelectric domains and a large reduction of band gap for BFO grown on YSZ substrate comparing to the well-known one grown on LaAlO{sub 3} substrate. Our findings in this work can provide more insights to understand the structural diversity of multiferroic BFO system for further applications.

Study on effect of cubic- and tetragonal phased BaTiO{sub 3} on the electrical and thermal properties of polymeric nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Thanki, A.A.; Goyal, R.K., E-mail: rkgoyal72@yahoo.co.in

2016-11-01

Polymer matrix nanocomposites based on polycarbonate (PC) and nanosized-cubic/tetragonal phases of barium titanate (BaTiO{sub 3}) were fabricated using a solution method followed by hot pressing. The content of both cubic- and tetragonal phased BaTiO{sub 3} was varied from 0 to 50 wt%. For a given weight fraction, the dielectric constant of the nanocomposites containing tetragonal BaTiO{sub 3} is more than those of cubic BaTiO{sub 3} filled nanocomposites. Moreover, cubic BaTiO{sub 3}/PC nanocomposites showed significantly lower dissipation factor than those of tetragonal BaTiO{sub 3}/PC nanocomposites. The dielectric constant of the nanocomposites was found to be frequency-independent. The microhardness of the nanocomposites increased with increase in the BaTiO{sub 3} content (both cubic- and tetragonal-phased) compared to the pure matrix. Scanning electron microscopy showed better dispersion and good interaction of the tetragonal BaTiO{sub 3} nanoparticles in the matrix. The addition of cubic BaTiO{sub 3} nanoparticles significantly reduced the thermal stability of the nanocomposites compared to matrix while the addition of tetragonal BaTiO{sub 3} nanoparticles decreased it slightly. The glass transition temperature of the cubic BaTiO{sub 3}/PC nanocomposites decreased significantly, whereas it reduced slightly for the tetragonal BaTiO{sub 3}/PC nanocomposites. - Highlights: • The effect of cubic-BaTiO{sub 3} and tetragonal-BaTiO{sub 3} nanoparticles were studied. • Cubic-BaTiO{sub 3} nanoparticles showed better microhardness. • Tetragonal-BaTiO{sub 3} nanoparticles showed better dielectric and thermal properties. • Frequency independent dielectric constants of the nanocomposites were observed.

First principles analysis of lattice dynamics for Fe-based superconductors and entropically-stabilized phases

Energy Technology Data Exchange (ETDEWEB)

Hahn, Steven [Iowa State Univ., Ames, IA (United States)

2012-01-01

Modern calculations are becoming an essential, complementary tool to inelastic x-ray scattering studies, where x-rays are scattered inelastically to resolve meV phonons. Calculations of the inelastic structure factor for any value of Q assist in both planning the experiment and analyzing the results. Moreover, differences between the measured data and theoretical calculations help identify important new physics driving the properties of novel correlated systems. We have used such calculations to better and more e ciently measure the phonon dispersion and elastic constants of several iron pnictide superconductors. This dissertation describes calculations and measurements at room temperature in the tetragonal phase of CaFe{sub 2}As{sub 2} and LaFeAsO. In both cases, spin-polarized calculations imposing the antiferromagnetic order present in the low-temperature orthorhombic phase dramatically improves the agreement between theory and experiment. This is discussed in terms of the strong antiferromagnetic correlations that are known to persist in the tetragonal phase. In addition, we discuss a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD), which goes beyond the harmonic approximation to include phonon-phonon interactions and produce a temperature-dependent phonon dispersion. We used this technique to study the HCP to BCC transition in beryllium.

Synthesis of new perovskite and ''tetragonal bronze'' materials with thorium

International Nuclear Information System (INIS)

Launay, Suzanne; Erb, Alfred; Freundlich, William

1982-01-01

Disclosure and crystal chemistry study of the solid solutions Th(NbO 3 ) 4 , NaNbO 3 or AgNbO 3 with perovskite structure and Th(Nb, TaO 3 ) 4 , K(Nb,Ta)O 3 with ''tetragonal tungstene bronze'' structure, ''Banana'' type [fr

Various magnetic behaviors of the hydrides deriving from the tetragonal CeFeSi-type compounds

International Nuclear Information System (INIS)

Chevalier, B.; Tence, S.; Gaudin, E.; Matar, S.F.; Bobet, J.-L.

2009-01-01

The hydrides RETXH (RE = rare earth, T = transition metal and X = Si, Ge) crystallizing in the tetragonal ZrSiCuAs-type are obtained by hydrogen absorption of the intermetallics adopting the tetragonal CeFeSi-type. The H-insertion induces interesting magnetic transitions governed by two effects: the increase of the unit cell volume linked to the H-absorption and the occurrence of the RE-H chemical bonding. Some typical examples are reported in this present brief review.

Mechanical properties and dependence with temperature of tetragonal polycrystalline zirconia materials

International Nuclear Information System (INIS)

Orange, G.

1986-01-01

Polycrystalline zirconia materials with a high content of metastable tetragonal phase have been obtained by pressureless sintering from experimental powders. Mechanical properties have been determined at room temperature and compared with similar materials. The fracture strength (σ /SUB f/ ) and fracture toughness (K /SUB 1c/ ) temperature dependence has been studied, in air environment up to 1000 0 C. Microstructure was studied by SEM examinations of fracture faces and TEM observations. Fracture toughness (of about 10 MPa √m at room temperature) decreases from 200 0 C to 800 0 C. The critical temperature (T /SUB c/ ) is estimated at 600 0 C. We observe an important decreases of fracture strength at 200 0 C. These mechanical properties are discussed on the basis of the stability of the tetragonal phase depending on additive content, grain size and temperature

Linear electro-optical properties of tetragonal BaTiO 3

Indian Academy of Sciences (India)

Linear optical susceptibility and clamped linear electro-optical tensor coefficients of tetragonal BaTiO3 are calculated using a formalism based on bond charge theory. Calculated values are in close agreement with experimental data. The covalent Ti–O bonds constituting distorted TiO6 octahedral groups are found to be ...

Synthesis of new perovskite and ''tetragonal bronze'' materials with thorium

Energy Technology Data Exchange (ETDEWEB)

Launay, S; Erb, A; Freundlich, W [Universite Paris-VI (France)

1982-03-22

Disclosure and crystal chemistry study of the solid solutions Th(NbO/sub 3/)/sub 4/, NaNbO/sub 3/ or AgNbO/sub 3/ with perovskite structure and Th(Nb, TaO/sub 3/)/sub 4/, K(Nb,Ta)O/sub 3/ with ''tetragonal tungstene bronze'' structure, ''Banana'' type.

Off-center Jahn-Teller ion: coupled polar and tetragonal deformations

International Nuclear Information System (INIS)

Vikhnin, V.S.; Sochava, L.S.

1979-01-01

Models of the off-center Jahn-Teller ions are considered, i.e. Ni + in SrO and Cu 27 in SrO studied earlier. Models of the off-center Jahn-Teller ion are proposed, in which mutual effect of dipole-active deformations conditioning off-centering and the Jahn-Teller tetragonal deformations takes place. Manifestations of a new type of multipit potential XY 24 of an off-center ion are considered. The Jahn-Teller effect (JTE) is studied for a duplicate in cubic environment, unharmonism of the fourth order being taken into account. In such a model of Exe of JTE, the position and quantity of minima of adiabatic potential are changed as compared with Exe of JTE taking account of unharmonism of the third order or the square Jahn-Teller interaction. While using models of the off-center Jahn-Teller ion which take account of the effect of two tetragonal Jahn-Teller deformations occurring in the Exe problem considering unharmonism of the fourth order produced on dipole-active deformations, it becomes possible to explain the experiment for SrO:Ni +

The covalent effect on the energy levels of d3 ions in tetragonal compounds

International Nuclear Information System (INIS)

Li, Dong-Yang; Du, Mao-Lu

2015-01-01

For d 3 ions in covalent compounds with tetragonal symmetry, this paper presents a complete energy matrix, in which the different covalence of t 2 and e orbitals is considered not only in the electrostatic repulsions part of energy matrix elements but also in the crystal-field potential part of energy matrix elements. With taking and no taking the crystal field parameter B 00 0 into account, the effect of covalence on the energy levels of d 3 ions system were investigated, respectively. The investigation shows that it is very necessary for considering the different covalence of t 2 and e orbitals in both electrostatic repulsions part and crystal-field potential part when the optical properties of d 3 ions in strong covalent compounds with tetragonal symmetry is investigated. On the other hand, the crystal field parameter B 00 0 has a significant effect on the energy levels, and should be considered in investigations of d 3 ions in strong covalent compounds with tetragonal symmetry. Application to calculating the energy levels for Co 2+ in CdGa 2 Se 4 , the calculated results are in agreement with the experiment data

Spall strength, dynamic elastic limit and fracture of ittrya dopped tetragonal zirconia

Science.gov (United States)

Milyavskiy, Vladimir; Savinykh, Andrey; Schlothauer, Thomas; Lukin, Evgeny; Akopov, Felix

2013-06-01

Specimens of the ceramics based on zirconia partially stabilized by yttrium oxide of the composition of 97 mol % ZrO2 + 3 mol % Y2O3 were prepared. The densities of the specimens were 5.79 and 6.01 g/cc. The ceramics mainly have the tetragonal structure (93-98 wt. % of t-ZrO2) . The mechanical action on the ceramic activates the transformation of the tetragonal phase into the monoclinic one: at the abrasive cutting or at the fracture by hammer shock, the content of the monoclinic phase is increasing. The same trend was observed in the specimens, recovered after stepwise shock compression up to 36, 52 and 99 GPa. It was found that shock compression do not initiates tetragonal-monoclinic phase transition directly, and this transition is caused by the destruction. Recovered specimens do not reveal any traces of the phase change which was observed by Mashimo et al. under the pressures 30-35 GPa (J. Appl. Phys. 1995. V. 77. P. 5069). Recording of the profiles of the free surface velocity of the specimens during single-stage shock compression allowed us to determine the dynamic elastic limit, as well as spall strength of the material versus maximal shock stress. In addition, the ceramics were subjected to the action of low temperatures. There were no significant changes in the specimens recovered after storage in liquid nitrogen and helium. The work was supported by The State Atomic Energy Corporation ROSATOM.

Ferroelasticity of t'-zirconia. 1: High-voltage electron microscopy studies of the microstructure in polydomain tetragonal zirconia

International Nuclear Information System (INIS)

Baither, D.; Baufeld, B.; Messerschmidt, U.; Foitzik, A.H.; Ruehle, M.

1997-01-01

The microstructure of polydomain tetragonal zirconia (t'-ZrO 2 ), i.e., a ZrO 2 modification exhibiting ferroelastic behavior, is studied by high-voltage electron microscopy. This material consists of three domain variants of the tetragonal phase with their c-axes nearly orthogonal to each other. Always two variants of these platelike domains are alternately arranged, forming elongated regular colonies. Hence, in both variants the common habit plane of the domains is a {110} twin plane. The colonies are of columnar shape with a longitudinal axis. They are bound by {110} planes, too, which are twin planes for the domains in the contiguous colonies. Owing to their particular structure and the helical arrangement of the adjoining colonies, the material remains coherent and pseudocubic over large macroscopic regions, although it is formed by different tetragonal domains

On Traveling Waves in Lattices: The Case of Riccati Lattices

Science.gov (United States)

Dimitrova, Zlatinka

2012-09-01

The method of simplest equation is applied for analysis of a class of lattices described by differential-difference equations that admit traveling-wave solutions constructed on the basis of the solution of the Riccati equation. We denote such lattices as Riccati lattices. We search for Riccati lattices within two classes of lattices: generalized Lotka-Volterra lattices and generalized Holling lattices. We show that from the class of generalized Lotka-Volterra lattices only the Wadati lattice belongs to the class of Riccati lattices. Opposite to this many lattices from the Holling class are Riccati lattices. We construct exact traveling wave solutions on the basis of the solution of Riccati equation for three members of the class of generalized Holling lattices.

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

Preparation and properties of yttria doped tetragonal zirconia polycrystal/Sr-doped barium hexaferrite ceramic composites

International Nuclear Information System (INIS)

Wang, Shanshan; Zhang, Chao; Guo, Ruisong; Liu, Lan; Yang, Yuexia; Li, Kehang

2015-01-01

Highlights: • The 3Y-TZP/Sr-doped barium ferrite composites were prepared. • The saturation magnetization was improved by 15% with Sr-doping. • The dispersion coefficient p could reflect the microscopic lattice variation. • The composite with x = 0.5 had the maximum fracture toughness of 8.3 MPa m 1/2 . - Abstract: The effects of substitution of Ba 2+ by Sr 2+ on the magnetic property of barium ferrite and addition barium ferrite secondary phase to the 3 mol% yttria-doped tetragonal zirconia polycrystal (3Y-TZP) matrix on the mechanical property of composites were investigated. The Sr-doped barium ferrite (Ba 1−x Sr x Fe 12 O 19 , x = 0, 0.25, 0.50 and 0.75) was synthesized by solid-state reaction in advance. Then 3Y-TZP/20 wt% Sr-doped barium ferrite composites were prepared by means of conventional ceramic method. It was found that a moderate amount of Sr added to barium ferrite could boost the saturation magnetization by 15% compared with the composites without Sr-doping. Besides, the composite with x = 0.50 possessed the best mechanical properties, such as 11.5 GPa for Vickers hardness and 8.3 MPa m 1/2 for fracture toughness, respectively. It was demonstrated that magnetic and mechanical properties of the composites could be harmonized by the incorporation of barium ferrite secondary phase

Nanosize stabilization of cubic and tetragonal phases in reactive plasma synthesized zirconia powders

Energy Technology Data Exchange (ETDEWEB)

Jayakumar, S., E-mail: sjayakumar.physics@gmail.com [Research and Development Centre, Bharathiar University, Coimbatore 641 014 (India); Department of Physics, Pollachi Institute of Engineering and Technology, Pollachi 642 205 (India); Ananthapadmanabhan, P.V.; Thiyagarajan, T.K. [Laser and Plasma Technology Division, BARC, Trombay, Mumbai 400 085 (India); Perumal, K. [Vision for Wisdom, Temple of Consciousness, Aliyar 642 101 (India); Mishra, S.C. [Department of Metallurgical and Materials Engg, National Institute of Technology, Rourkela 769 008 (India); Suresh, G. [Department of Physics, Park College of Engineering and Technology, Coimbatore 641 659 (India); Su, L.T.; Tok, A.I.Y. [School of Materials Science and Engg, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639 798 (Singapore)

2013-06-15

Pure zirconium oxide powders with particle size 2–33 nm are synthesized by reactive plasma processing. Transmission electron microscopy investigation of these particles revealed size dependent behavior for their phase stabilization. The monoclinic phase is found to be stable when particle size is ≥20 nm; Tetragonal is found to be stabilized in the range of 7–20 nm and as the particle size decreases to 6 nm and less, the cubic phase is stabilized. - Highlights: ► Direct conversion of micron-sized zirconium hydride powder to single crystal ZrO{sub 2} nanopowder. ► Size dependent stabilization of cubic, tetragonal and monoclinic phases in the reactive plasma synthesized ZrO{sub 2} nanopowder. ► Transmission electron microscopic investigation to identify particles of different sizes and their corresponding phase structure.

Martensitic cubic → tetragonal transition

International Nuclear Information System (INIS)

Schumann, H.

1983-01-01

Indium-thallium alloys containing 14 to 30% At. Tl have a cubic face-centred beta phase wich changes into a tetragonal face-centred alpha martensite during solidification. The martensite contains twin crystals that are large enough to be seen by means of a light microscope. The phenomenological crystallographic martensite theory was used to calculate Miller's index of the habit plane, the formation of the surface relief, the orientation relations and the critical thickness ratio of the twins. In a beta monocrystal frequently only one of the 24 crystallographic possible habit planes are formed at one end of the sample and migrate through the whole crystal when the temperature drops. Externally applied tension and compression influence in different ways the direction in which the habit plane moves and can even destroy the twinned structure, i.e. they can modify the substructure of the martensite crystal. This induces superelasticity, an effect that has also been described quantitatively. (author)

/sup 87/Rb NMR study at the cubic to tetragonal phase transition in RbCaF/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Bulou, A [Angers Univ., 72 - Le Mans (France). Centre Universitaire; Theveneau, H; Trokiner, A; Papon, P [Ecole Superieure de Physique et Chimie Industrielles, 75 - Paris (France)

1979-07-01

The /sup 87/Rb nuclear magnetic resonance spectrum, in perovskite single crystal of RbCaF/sub 3/, is studied above and below the cubic-to-tetragonal phase transition occurring at 198 K. In the high-temperature cubic phase, the temperature dependence of the resonance line amplitude deviates from the Curie law and this can be attributed to the existence of tetragonal domains. In the low temperature tetragonal phase, a second-order quadrupole shift of the central line is observed, from which the CaF/sub 6/ tilt angle (order parameter) is derived. The order parameter temperature dependence is described by a power law with a cross over from exponent 0.5 to exponent 0.32 at 150 K. The tilt angle PHI is compared to the values obtained from X-ray and neutron powder diffraction data.

Tetragonal CuO: End member of the 3d transition metal monoxides

NARCIS (Netherlands)

Siemons, W.; Koster, Gertjan; Blank, David H.A.; Hammond, Robert H.; Geballe, Theodore H.; Beasley, Malcolm R.

2009-01-01

Monoclinic CuO is anomalous both structurally as well as electronically in the 3d transition metal oxide series. All the others have the cubic rocksalt structure. Here we report the synthesis and electronic property determination of a tetragonal (elongated rocksalt) form of CuO created using an

Lattice parameter values and phase transitions for the Cu2Cd1-zMn zGeSe4 and Cu2Cd1-zFe zGeSe4 alloys

International Nuclear Information System (INIS)

Quintero, E.; Tovar, R.; Quintero, M.; Delgado, G.E.; Morocoima, M.; Caldera, D.; Ruiz, J.; Mora, A.E.; Briceno, M.; Fernandez, J.L.

2007-01-01

X-ray powder diffraction measurements and differential thermal analysis (DTA) were made on polycrystalline samples of the Cu 2 Cd 1-z Mn z GeSe 4 and Cu 2 Cd 1-z Fe z GeSe 4 alloy systems. The diffraction patterns were used to show the equilibrium conditions and to derive lattice parameter values. The effect of the annealing temperature and cooling rate to room temperature are discussed. For the Cu 2 Cd 1-z Fe z GeSe 4 system, only two single solid phase fields, the tetragonal stannite α and the wurtz-stannite δ structures were found to occur in the diagram. For the Cu 2 Cd 1-z Mn z GeSe 4 system, in addition to the tetragonal stannite α and the wurtz-stannite δ phases, MnSe was found to exist in the diagram. The DTA experiments showed that the cooling curves for both systems exhibited effects of undercooling

Production of three-dimensional quantum dot lattice of Ge/Si core-shell quantum dots and Si/Ge layers in an alumina glass matrix.

Science.gov (United States)

Buljan, M; Radić, N; Sancho-Paramon, J; Janicki, V; Grenzer, J; Bogdanović-Radović, I; Siketić, Z; Ivanda, M; Utrobičić, A; Hübner, R; Weidauer, R; Valeš, V; Endres, J; Car, T; Jerčinović, M; Roško, J; Bernstorff, S; Holy, V

2015-02-13

We report on the formation of Ge/Si quantum dots with core/shell structure that are arranged in a three-dimensional body centered tetragonal quantum dot lattice in an amorphous alumina matrix. The material is prepared by magnetron sputtering deposition of Al2O3/Ge/Si multilayer. The inversion of Ge and Si in the deposition sequence results in the formation of thin Si/Ge layers instead of the dots. Both materials show an atomically sharp interface between the Ge and Si parts of the dots and layers. They have an amorphous internal structure that can be crystallized by an annealing treatment. The light absorption properties of these complex materials are significantly different compared to films that form quantum dot lattices of the pure Ge, Si or a solid solution of GeSi. They show a strong narrow absorption peak that characterizes a type II confinement in accordance with theoretical predictions. The prepared materials are promising for application in quantum dot solar cells.

Lattice QCD

International Nuclear Information System (INIS)

Hasenfratz, P.

1983-01-01

The author presents a general introduction to lattice gauge theories and discusses non-perturbative methods in the gauge sector. He then shows how the lattice works in obtaining the string tension in SU(2). Lattice QCD at finite physical temperature is discussed. Universality tests in SU(2) lattice QCD are presented. SU(3) pure gauge theory is briefly dealt with. Finally, fermions on the lattice are considered. (Auth.)

Atomistic studies of cation transport in tetragonal ZrO2 during zirconium corrosion

International Nuclear Information System (INIS)

Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.

2015-01-01

Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is a significant degradation mechanism of these alloys. During corrosion, the transport of oxidizing species in zirconium dioxide (ZrO 2 ) determines the corrosion kinetics. Previously, it has been argued that the outward diffusion of cations is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO 2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO 2 . The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration of Zr interstitials at a grain boundary is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed. (authors)

Toughening of dental porcelain by tetragonal ZrO2 additions

International Nuclear Information System (INIS)

Morena, R.; Lockwood, P.E.; Evans, A.L.; Fairhurst, C.W.

1986-01-01

The effect of mechanical behavior of ZrO 2 additions to a dental porcelain was investigated. The ZrO 2 was introduced into the glassy matrix phase of the porcelain by refritting the all-glass porcelain constituent. X-ray diffraction indicated that a sizeable fraction of the ZrO 2 was retained in the tetragonal from after the porcelain was fired. Zirconia additions to the porcelain produced substantial improvements in fracture toughness, strength, and thermal shock resistance

Damage and other changes that occur in some inorganic materials subjected to synchrotron radiation

International Nuclear Information System (INIS)

Bhat, H.L.; Sheen, D.B.; Sherwood, J.N.

1983-01-01

The subject is discussed under the headings: introduction (general description of white radiation topography experiments with the Daresbury SRS); experimental; results and discussion (ammonium perchlorate - orthorhombic lattice; sodium nitrate -rhombohedral lattice; sodium chlorate - modified cubic lattice; ammonium dihydrogen phosphate - tetragonal lattice; calcium carbonate - trigonal lattice). Mechanisms for the radiation effects observed are proposed. (U.K.)

Lattice-induced nonadiabatic frequency shifts in optical lattice clocks

International Nuclear Information System (INIS)

Beloy, K.

2010-01-01

We consider the frequency shift in optical lattice clocks which arises from the coupling of the electronic motion to the atomic motion within the lattice. For the simplest of three-dimensional lattice geometries this coupling is shown to affect only clocks based on blue-detuned lattices. We have estimated the size of this shift for the prospective strontium lattice clock operating at the 390-nm blue-detuned magic wavelength. The resulting fractional frequency shift is found to be on the order of 10 -18 and is largely overshadowed by the electric quadrupole shift. For lattice clocks based on more complex geometries or other atomic systems, this shift could potentially be a limiting factor in clock accuracy.

Yttria-Ceria stabilized tetragonal zirconia polycrystals: Sintering, grain growth and grain boundary segregation

NARCIS (Netherlands)

Boutz, M.M.R.; Boutz, M.M.R.; Winnubst, Aloysius J.A.; Burggraaf, Anthonie; Burggraaf, A.J.

1994-01-01

An analysis is presented of grain growth and densification of yttria-ceria stabilized tetragonal zirconia polycrystals (Y, Ce-TZPs) using both isothermal and non-isothermal techniques. The characteristics of Y, Ce-TZPs are compared to those of Y-TZP and Ce-TZP and the effect of increasing ceria

Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

Energy Technology Data Exchange (ETDEWEB)

Platt, P., E-mail: Philip.Platt@manchester.ac.uk [University of Manchester, School of Materials, Materials Performance Centre, Manchester M13 9PL (United Kingdom); Frankel, P. [University of Manchester, School of Materials, Materials Performance Centre, Manchester M13 9PL (United Kingdom); Gass, M.; Howells, R. [AMEC, Walton House, Faraday Street, Birchwood Park, Risley, Warrington WA3 6GA (United Kingdom); Preuss, M. [University of Manchester, School of Materials, Materials Performance Centre, Manchester M13 9PL (United Kingdom)

2014-11-15

Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal–oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations.

Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

Science.gov (United States)

Platt, P.; Frankel, P.; Gass, M.; Howells, R.; Preuss, M.

2014-11-01

Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal-oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations.

Finite element analysis of the tetragonal to monoclinic phase transformation during oxidation of zirconium alloys

International Nuclear Information System (INIS)

Platt, P.; Frankel, P.; Gass, M.; Howells, R.; Preuss, M.

2014-01-01

Corrosion is a key limiting factor in the degradation of zirconium alloys in light water reactors. Developing a mechanistic understanding of the corrosion process offers a route towards improving safety and efficiency as demand increases for higher burn-up of fuel. Oxides formed on zirconium alloys are composed of both monoclinic and meta-stable tetragonal phases, and are subject to a number of potential mechanical degradation mechanisms. The work presented investigates the link between the tetragonal to monoclinic oxide phase transformation and degradation of the protective character of the oxide layer. To achieve this, Abaqus finite element analysis of the oxide phase transformation has been carried out. Study of the change in transformation strain energy shows how relaxation of oxidation induced stress and fast fracture at the metal–oxide interface could destabilise the tetragonal phase. Central to this is the identification of the transformation variant most likely to form, and understanding why twinning of the transformed grain is likely to occur. Development of transformation strain tensors and analysis of the strain components allows some separation of dilatation and shear effects. Maximum principal stress is used as an indication of fracture in the surrounding oxide layer. Study of the stress distributions shows the way oxide fracture is likely to occur and the differing effects of dilatation and shape change. Comparison with literature provides qualitative validation of the finite element simulations

Spatially modulated magnetic structure of EuS due to the tetragonal domain structure of SrTiO3 APS

CERN Document Server

Rosenberg, Aaron J.; Kirtley, John R.; Gedik, Nuh; Moodera, Jagadeesh S.; Moler, Kathryn A.

2017-12-15

The combination of ferromagnets with topological superconductors or insulators allows for new phases of matter that support excitations such as chiral edge modes and Majorana fermions. EuS, a wide-bandgap ferromagnetic insulator with a Curie temperature around 16 K, and SrTiO3 (STO), an important substrate for engineering heterostructures, may support these phases. We present scanning superconducting quantum interference device measurements of EuS grown epitaxially on STO that reveal micron-scale variations in ferromagnetism and paramagnetism. These variations are oriented along the STO crystal axes and only change their configuration upon thermal cycling above the STO cubic-to-tetragonal structural transition temperature at 105 K, indicating that the observed magnetic features are due to coupling between EuS and the STO tetragonal structure. We speculate that the STO tetragonal distortions may strain the EuS, altering the magnetic anisotropy on a micron scale. This result demonstrates that local variation in...

Lattice strings

International Nuclear Information System (INIS)

Thorn, C.B.

1988-01-01

The possibility of studying non-perturbative effects in string theory using a world sheet lattice is discussed. The light-cone lattice string model of Giles and Thorn is studied numerically to assess the accuracy of ''coarse lattice'' approximations. For free strings a 5 by 15 lattice seems sufficient to obtain better than 10% accuracy for the bosonic string tachyon mass squared. In addition a crude lattice model simulating string like interactions is studied to find out how easily a coarse lattice calculation can pick out effects such as bound states which would qualitatively alter the spectrum of the free theory. The role of the critical dimension in obtaining a finite continuum limit is discussed. Instead of the ''gaussian'' lattice model one could use one of the vertex models, whose continuum limit is the same as a gaussian model on a torus of any radius. Indeed, any critical 2 dimensional statistical system will have a stringy continuum limit in the absence of string interactions. 8 refs., 1 fig. , 9 tabs

Crystalline mesoporous zirconia catalysts having stable tetragonal pore wall structure

Science.gov (United States)

Sachtler, W.M.H.; Huang, Y.Y.

1998-07-28

Methods are disclosed for the preparation of new sulfated mesoporous zirconia materials/catalysts with crystalline pore walls of predominantly tetragonal crystal structure, characterized by nitrogen physical sorption measurement, X-ray diffraction, transmission electron microscopy and catalytic tests using n-butane isomerization to iso-butane and alkylation of 1-naphthol with 4-tert-butylstyrene as probe reactions. Sulfate deposition is preferred for the transformation of a mesoporous precursor with amorphous pore walls into a material with crystalline pore walls maintaining the mesoporous characteristics. 17 figs.

X-ray diffraction analysis of the phase transition orthorhombic-tetragonal in Y(1-x)Ca(x)Ba2Cu3O(7) superconductors dependent on the oxygen pressure at 500 and 600deg C. Etude de la transition orthorhombique-tetragonale dans les supraconducteurs Y sub 1-x Ca sub x Ba sub 2 Cu sub 3 O sub z par diffraction des rayons X en fonction de la pression d'oxygene a 500 et 600deg C

Energy Technology Data Exchange (ETDEWEB)

Touzelin, B [Lab. C.N.S., Chimie Generale, Univ. Paris 11, 91 - Orsay (France)

1991-04-15

The oxygen partial pressures and the oxygen composition z dependence of the lattice parameters of Y{sub 1-x}Ca{sub x}Ba{sub 2}Cu{sub 3}O{sub z} have been investigated by X-ray diffraction at 500 and 600deg C for 10%, 20% and 30% calcium content. The coexistence of the orthorhombic and tetragonal phases is observed in an oxygen composition range which decreases with increasing calcium content. The tetragonal phase occurs alone at the same oxygen content: z=6.745 in a temperature range of approximately 100deg C whatever the calcium content. Its structural transition will be first order with no second order at all, as undoped 1-2-3. Lastly it is noticed that the superconductivity is independent of the structural O-T transition. (orig.).

Superconductivity in an anomalously tetragonal YB2C3O6.62 single crystal: A possible singularity in the structural phase diagram

DEFF Research Database (Denmark)

Frello, T.; Andersen, N.H.; Baziljevich, M.

2003-01-01

superconducting. This makes the sample highly anomalous in two respects: with a stoichiometry of YBa2Cu3O6.62 the sample should have an orthorhombic symmetry, and a tetragonal undoped sample should not be superconducting at all. Our results corroborate previous findings of Topnikov [JETP Lett. 46, 577 (1987......)] of a tetragonal superconducting YBCO crystal with x=0.62....

Gradient stress induced coexistence of tetragonal and rhombohedral phases in Pb(Zr,Ti)O3 films

International Nuclear Information System (INIS)

Li Liben; Chen Qingdong; Li Xinzhong; Hu Zhixiang; Zhen Zhiqiang

2009-01-01

Thermodynamic theory has been used to explain quantitatively the coexistence of tetragonal and rhombohedral phases in Zr-rich Pb(Zr, Ti)O 3 (PZT) films grown on a compressive substrate. The key is to consider a set of gradient thermal stresses imposed on the films. The 'stress-temperature' phase diagrams were developed for PZT films of several different compositions (Ti/Zr=20/80, 30/70, 40/60, 50/50). The characteristic feature of the phase diagrams for Zr-rich PZT films is the coexistence of tetragonal and rhombohedral phases in the compressive stress region. The volume fractions of the rhombohedral phase were calculated for the Zr-rich PZT films grown on MgO substrate. The result agrees with the experiment.

Joining of yttria-tetragonal zirconia polycrystal with an aluminum-zirconium alloy

International Nuclear Information System (INIS)

Rathner, R.C.; Green, D.J.

1990-01-01

Specimens of yttria-tetragonal zirconia polycrystal (Y-TZP) have been joined with an Al-5.8 wt% Zr alloy at temperatures of 900 degrees C and above. The braze alloy contained large needlelike precipitates of the intermetallic phase Al 3 Sr. It is shown that these large precipitates can aid in strengthening of the joint, especially if they are close to the interface. With decreasing layer thickness, the strengths increased with values as high as 420 MPa

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

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.

Lattice fermions

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.

Lattice fermions

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

The tetragonal-monoclinic transformations of zirconia studied by small angle neutron scattering and differential thermal analysis

International Nuclear Information System (INIS)

Li, Z.; Epperson, J.E.; Fang, Y.; Chan, S.K.

1992-08-01

The tetragonal-monoclinic transformations of zirconia have been studied on pristine single crystals and on their cycled crystallites. Two complementary techniques have been used. Small angle neutron scattering experiments were carried out to monitor the degree of completion of a transformation under equilibrium conditions for collections of 20--30 large crystals using the total internal and external surface area as an indicator. Differential thermal analysis experiments were carried out on smaller single-domain crystals of different sizes individually during heating and cooling to measure the rates of latent heat absorption and emission. The investigation establishes the upper limit of stability of the monoclinic phase, the lower limit of stability of the tetragonal phase, and the coexistence temperature between the two phases. The characteristics of the transformations are also inferred from these experiments

Tetragonal phase in Al-rich region of U-Fe-Al system

International Nuclear Information System (INIS)

Meshi, L.; Zenou, V.; Ezersky, V.; Munitz, A.; Talianker, M.

2005-01-01

A new ternary aluminide U 2 FeAl 20 with the approximate composition Al-4.2at% Fe-8.5at% U was observed in the Al-rich corner of the U-Al-Fe system. Transmission electron microscopy and electron microdiffraction technique were used for characterization of the structure of this phase. It has a tetragonal unit cell with the parameters a=12.4A and c=10.3A and can be described by the space group I4-bar 2m

Lattice gauge theory

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)

Exchange anisotropy as a probe of antiferromagnetism in expanded face-centered-tetragonal Mn(001) layers

NARCIS (Netherlands)

Kohlhepp, J.T.; Wieldraaijer, H.; Jonge, de W.J.M.

2006-01-01

Manganese (Mn) grows coherent and with an expanded metastable face-centered-tetragonal (e-fct) structure on ultrathin fct Co(001)/Cu(001) template layers. From the temp. dependence of the obsd. unidirectional Mn/Co interface exchange anisotropy, an antiferromagnetic state with a blocking temp.

Effect of grinding and polishing on near-surface phase transformations in zirconia

International Nuclear Information System (INIS)

Reed, J.S.; Lejus, A.M.

1977-01-01

The transformation of near-surface material on grinding and polishing has been investigated in sintered zirconia of 1 μm grain size and 99 percent density containing 4.5 and 7.0 mole percent Y 2 O 3 . Rough wet and dry grinding transformed about 20 percent cubic phase into 18 percent tetragonal and 2 percent monoclinic in material initially 47 percent cubic and 53 percent tetragonal (4.5 mole percent Y 2 O 3 ) but no change of phase in material that was fully cubic (7.0 mole percent Y 2 O 3 ). Annealing and polishing reduced lattice strain but only polishing reduced the concentration of monoclinic and tetragonal phases. Microhardness studies indicated that lattice strain and the phase transformations increased the penetration hardness to a depth of about 4 μm

Shape and phase evolution from CsPbBr3 perovskite nanocubes to tetragonal CsPb2Br5 nanosheets with an indirect bandgap.

Science.gov (United States)

Li, Guopeng; Wang, Hui; Zhu, Zhifeng; Chang, Yajing; Zhang, Ting; Song, Zihang; Jiang, Yang

2016-09-13

Tetragonal CsPb 2 Br 5 nanosheets were obtained by an oriented attachment of orthorhombic CsPbBr 3 nanocubes, involving a lateral shape evolution from octagonal to square. Meanwhile, the experimental results, together with DFT simulation results, indicated that the tetragonal CsPb 2 Br 5 is an indirect bandgap semiconductor that is PL-inactive with a bandgap of 2.979 eV.

Designing magnetic compensated states in tetragonal Mn{sub 3}Ge-based Heusler alloys

Energy Technology Data Exchange (ETDEWEB)

You, Yurong; Xu, Guizhou, E-mail: gzxu@njust.edu.cn; Hu, Fang; Gong, Yuanyuan; Liu, Er; Peng, Guo; Xu, Feng, E-mail: xufeng@njust.edu.cn

2017-05-01

Magnetic compensated materials attracted much interests due to the observed large exchange bias and large coercivity, and also their potential applications in the antiferromagnetic spintronics with merit of no stray field. In this work, by using ab-initio studies, we designed several Ni (Pd, Pt) doped Mn{sub 3}Ge-based D0{sub 22}-type tetragonal Heusler alloys with fully compensated states. Theoretically, we find the total moment change is asymmetric across the compensation point (at ~x=0.3) in Mn{sub 3-x}Y{sub x}Ge (Y=Ni, Pd, Pt). In addition, an uncommon discontinuous jump is observed across the critical zero-moment point, indicating that some non-trivial properties may emerge at this point. Further electronic analyses of these compensated alloys reveal high spin polarizations at the Fermi level, which is advantageous for spin transfer torque applications. - Highlights: • Several new fully compensated magnetic states are identified in Mn{sub 3}Ge-based tetragonal alloys. • The magnetic moment changes are asymmetric upon Ni, Pd and Pt substitution. • Discontinuous jumps exist across the compensated points. • The three compensated alloys possess large spin polarizations.

Theoretical and experimental evaluation of piezo-optic parameters and photoelastic constant in tetragonal PWO.

Science.gov (United States)

Natali, Pier Paolo; Montalto, Luigi; Daví, Fabrizio; Mengucci, Paolo; Ciriaco, Andrea; Paone, Nicola; Rinaldi, Daniele

2018-02-01

The tetragonal PbWO 4 (PWO) is one of the most important scintillating crystals, being used both in the Compact Muon Solenoid (CMS) experiment at the European Organization for Nuclear Research (CERN) and in the PANDA project at the Facility for Antiproton and Ion Research (FAIR). Light yield and other relevant scintillation properties depend, among many factors, also on the crystal mechanical quality. Accordingly, a detailed knowledge of crystal piezo-optic properties is a mandatory step toward understanding elasto-optic behavior and performing crystal quality control. In this paper, we evaluate for the first time, to the best of our knowledge, by means of both photoelastic and x-ray measurements, some components of the piezo-optic tensor; moreover, when the crystal is acted upon by a uniaxial stress, we obtain an evaluation for the rotation angle of the optic plane under stress as well as the photoelastic constant. These parameters are necessary to detect the residual stresses within the crystal, if any, and to give an overall quality measure. Such a methodology is in general suitable for any tetragonal crystals.

Pressure-induced change of the electronic state in the tetragonal phase of CaFe2As2

International Nuclear Information System (INIS)

Sakaguchi, Yui; Ikeda, Shugo; Kuse, Tetsuji; Kobayashi, Hisao

2014-01-01

We have investigated the electronic states of single-crystal CaFe 2 As 2 under hydrostatic pressure using 57 Fe Mössbauer spectroscopy and magnetization measurements. The center shift and the quadrupole splitting were refined from observed 57 Fe Mössbauer spectra using the single-crystalline sample under pressure at room temperature. A discontinuous decrease in the pressure dependence of the refined center shift was observed at 0.33 GPa without any anomaly in the pressure dependence of the refined quadrupole splitting, indicating a purely electronic state change in CaFe 2 As 2 with a tetragonal structure. Such a change is shown to be reflected in the peak-like anomalies observed in the pressure dependences of the magnetic susceptibility at 0.26 GPa above 150 K. Our results reveal that this pressure-induced electronic state change suppresses the tetragonal-to-orthorhombic structural phase transition accompanied by an antiferromagnetic ordering. We further observed superconductivity in CaFe 2 As 2 below ∼8 K around 0.33 GPa although our sample was not in a single phase at this pressure. These findings suggest that the electronic state change observed in CaFe 2 As 2 with the tetragonal structure is relevant to the appearance of the pressure-induced superconductivity in AFe 2 As 2 . (paper)

Synthesis and crystal structure of Mg2B24C, a new boron-rich boride related to 'tetragonal boron I'

International Nuclear Information System (INIS)

Adasch, Volker; Hess, Kai-Uwe; Ludwig, Thilo; Vojteer, Natascha; Hillebrecht, Harald

2006-01-01

Single crystals of Mg 2 B 24 C, a new boron-rich boridecarbide of magnesium, were synthesized as black needles and columns by reaction of the elements in Ta ampoules and BN crucibles at 1300 deg. C. The crystal structure was determined by X-ray diffraction (P-4n2, a=8.9391(13)A, c=5.0745(10)A, Z=2, 713 reflections, 64 variables, R 1 (F)=0.0235, wR 2 (I)=0.0591). It is closely related to 'tetragonal boron I' and can be described as a tetragonal rod packing of corner-linked B 12 icosahedra with C and Mg atoms in the voids. Each B 12 icosahedron has 2 B-C bonds and 10 exohedral bonds to other icosahedra, 2 within the rod and 4x2 to neighbouring rods. The isolated C atoms are 4-fold coordinated forming distorted tetrahedra. Mg is placed on two crystallographically independent positions within the three-dimensional B 12 C network. Mg 2 B 24 C is the first example for a compound related to 'tetragonal boron I' with a stoichiometric composition

Area of Lattice Polygons

Science.gov (United States)

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…

First-principles study of lattice dynamics, structural phase transition, and thermodynamic properties of barium titanate

Energy Technology Data Exchange (ETDEWEB)

Zhang, Huai-Yong; Zhao, Ying-Qin; Lu, Qing [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Zeng, Zhao-Yi [Chongqing Normal Univ. (China). College of Physics and Electronic Engineering; Chinese Academy of Engineering Physics, Mianyang (China). National Key Laboratory for Shock Wave and Detonation Physics Research; Cheng, Yan [Sichuan Univ., Chengdu (China). Inst. of Atomic and Molecular Physics; Sichuan Univ., Chengdu (China). Key Laboratory of High Energy Density Physics and Technology of Ministry of Education

2016-11-01

Lattice dynamics, structural phase transition, and the thermodynamic properties of barium titanate (BaTiO{sub 3}) are investigated by using first-principles calculations within the density functional theory (DFT). It is found that the GGA-WC exchange-correlation functional can produce better results. The imaginary frequencies that indicate structural instability are observed for the cubic, tetragonal, and orthorhombic phases of BaTiO{sub 3} and no imaginary frequencies emerge in the rhombohedral phase. By examining the partial phonon density of states (PDOSs), we find that the main contribution to the imaginary frequencies is the distortions of the perovskite cage (Ti-O). On the basis of the site-symmetry consideration and group theory, we give the comparative phonon symmetry analysis in four phases, which is useful to analyze the role of different atomic displacements in the vibrational modes of different symmetry. The calculated optical phonon frequencies at Γ point for the four phases are in good agreement with other theoretical and experimental data. The pressure-induced phase transition of BaTiO{sub 3} among four phases and the thermodynamic properties of BaTiO{sub 3} in rhombohedral phase have been investigated within the quasi-harmonic approximation (QHA). The sequence of the pressure-induced phase transition is rhombohedral → orthorhombic → tetragonal → cubic, and the corresponding transition pressure is 5.17, 5.92, 6.65 GPa, respectively. At zero pressure, the thermal expansion coefficient α{sub V}, heat capacity C{sub V}, Grueneisen parameter γ, and bulk modulus B of the rhombohedral phase BaTiO{sub 3} are estimated from 0 K to 200 K.

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

Lattice gauge theories

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

Convection-diffusion lattice Boltzmann scheme for irregular lattices

NARCIS (Netherlands)

Sman, van der R.G.M.; Ernst, M.H.

2000-01-01

In this paper, a lattice Boltzmann (LB) scheme for convection diffusion on irregular lattices is presented, which is free of any interpolation or coarse graining step. The scheme is derived using the axioma that the velocity moments of the equilibrium distribution equal those of the

Lattices with unique complements

CERN Document Server

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.

Crystal structure relation between tetragonal and orthorhombic CsAlD{sub 4}: DFT and time-of-flight neutron powder diffraction studies

Energy Technology Data Exchange (ETDEWEB)

Bernert, Thomas; Krech, Daniel; Felderhoff, Michael; Weidenthaler, Claudia [Department of Heterogeneous Catalysis, Max-Planck-Institut fuer Kohlenforschung, Muelheim/Ruhr (Germany); Kockelmann, Winfried [Rutherford Appleton Laboratory, Harwell Oxford, Didcot (United Kingdom); Frankcombe, Terry J. [Research School of Chemistry, The Australian National University, Canberra, ACT (Australia); School of Physical, Environmental and Mathematic Sciences, The University of New South Wales, Canberra, ACT (Australia)

2015-11-15

The crystal structures of orthorhombic and tetragonal CsAlD{sub 4} were refined from time-of-flight neutron powder diffraction data starting from atomic positions predicted from DFT calculations. The earlier proposed crystal structure of orthorhombic CsAlH{sub 4} is confirmed. For tetragonal CsAlH{sub 4}, DFT calculations predicted a crystal structure in I4{sub 1}/amd as potential minimum structure, while from neutron diffraction studies of CsAlD{sub 4} best refinement is obtained for a disordered structure in the space group I4{sub 1}/a, with a = 5.67231(9) Aa, c = 14.2823(5) Aa. While the caesium atoms are located on the Wyckoff position 4b and aluminium at Wyckoff position 4a, there are two distinct deuterium positions at the Wyckoff position 16f with occupancies of 50 % each. From this structure, the previously reported phase transition between the orthorhombic and tetragonal polymorphs could be explained. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The Lattice-Valued Turing Machines and the Lattice-Valued Type 0 Grammars

Directory of Open Access Journals (Sweden)

Juan Tang

2014-01-01

Full Text Available Purpose. The purpose of this paper is to study a class of the natural languages called the lattice-valued phrase structure languages, which can be generated by the lattice-valued type 0 grammars and recognized by the lattice-valued Turing machines. Design/Methodology/Approach. From the characteristic of natural language, this paper puts forward a new concept of the l-valued Turing machine. It can be used to characterize recognition, natural language processing, and dynamic characteristics. Findings. The mechanisms of both the generation of grammars for the lattice-valued type 0 grammar and the dynamic transformation of the lattice-valued Turing machines were given. Originality/Value. This paper gives a new approach to study a class of natural languages by using lattice-valued logic theory.

Additive lattice kirigami.

Science.gov (United States)

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.

Significance of internal stresses for the martensitic transformation in yttria-stabilized tetragonal zirconia polycrystals during degradation

International Nuclear Information System (INIS)

Schmauder, S.; Schubert, H.

1986-01-01

Various aspects of the tetragonal (t) to monoclinic (m) transformation during degradation have been studied experimentally and theoretically in yttria-stabilized tetragonal zirconia polycrystals (Y-TZP), i.e., polycrystalline t-ZrO/sub 2/ containing Y/sub 2/O/sub 3/ in solution. Transmission electron microscopy (TEM) revealed that protruding grains at the surface of Y-TZP specimens do not transform under corrosive conditions (250 0 C, humid atmosphere) even after n annealing time of 168 h.) Eigenstresses due to anistropic thermal expansion in and around protruding and bulk grains have been calculated for Y-TZP containing 2 and 3 mol% Y/sub 2/O/sub 3/. The prominent role of these stresses on subsequent transformation nucleation during degradation is shown to agree qualitatively with an established free energy concept. The lack of complete transformation of m-ZrO/sub 2/ is attributed to characteristics of the nucleation - and growth- controlled transformation process

Oxygen 1s excitation and tetragonal distortion from core-hole effect in BaTiO3

Science.gov (United States)

Bugnet, Matthieu; Radtke, Guillaume; Botton, Gianluigi A.

2013-11-01

The accurate description of the O 1s excitation in BaTiO3 has been elusive so far. In this Rapid Communication, the electronic structure and the high-resolution electron energy-loss near-edge structures of the O K edge in tetragonal BaTiO3 are investigated using first-principles calculations. The results demonstrate a clear correlation between the broadening of the lower energy fine structure and the anisotropic effects induced by the core-hole potential, which are directly related to the structural distortion occurring in tetragonal BaTiO3. Moreover, we show that a significant improvement of the description of higher-lying structures can be obtained when correcting the energy position of the Ba 4f states. This demonstrates that the O 1s spectrum can be a very effective probe of the distortion and changes in the local electronic structure, and be used as a sensitive tool for studying new materials and ferroelectric transitions.

Synthesis, microstructure and mechanical properties of ceria stabilized tetragonal zirconia prepared by spray drying technique

International Nuclear Information System (INIS)

Sharma, S.C.; Gokhale, N.M.; Dayal, Rajiv; Lazl, Ramji

2002-01-01

Ceria stabilized zirconia powders with ceria concentration varying from 6 to 16 mol% were synthesized using spray drying technique. Powders were characterized for their particle size distribution and specific surface area. The dense sintered ceramics fabricated using these powders were characterized for their microstructure, crystallite size and phase composition. The flexural strength, fracture toughness and micro-hardness of sintered ceramics were measured. High fracture toughness and flexural strength were obtained for sintered bodies with 12 mol% of CeO 2 . Flexural strength and fracture toughness were dependent on CeO 2 concentration, crystallite size and phase composition of sintered bodies. Correlation of data has indicated that the transformable tetragonal phase is the key factor in controlling the fracture toughness and strength of ceramics. It has been demonstrated that the synthesis method is effective to prepare nanocrystalline tetragonal ceria stabilized zirconia powders with improved mechanical properties. Ce-ZrO 2 with 20 wt% alumina was also prepared with flexural strength, 1200 MPa and fracture toughness 9.2 MPa√m. (author)

Formation Mechanism and Dispersion of Pseudo-Tetragonal BaTiO3-PVP Nanoparticles from Different Titanium Precursors: TiCl4 and TiO2

Directory of Open Access Journals (Sweden)

Jinhui Li

2017-12-01

Full Text Available Nano-sized tetragonal BaTiO3 (BT particles that are well dispersed in solution are essential for the dielectric layer in multilayer ceramic capacitor technology. A hydrothermal process using TiCl4 and BaCl2, as source of Ti and Ba, respectively, or the precursor TiO2 as seed for the formation of BT, and poly(vinylpyrrolidone (PVP as a surfactant, was employed in this study to enhance both the dispersibility and tetragonality (c/a simultaneously in a single reaction process. The process parameters, i.e., the ratio of TiO2 substitution of TiCl4, the reaction time, and PVP content were systematically studied, and the growth mechanism and relation between the tetragonality and the particle size are discussed. Dynamic light scattering (DLS analysis was used to show that truncated pseudo-tetragonal BT-PVP particles with an average size of 100 nm, having a narrow size distribution and a coefficient of variation (CV as low as 20% and being mono-dispersed in water, were produced. The narrow particle size distribution is attributed to the ability of PVP to inhibit the growth of BT particles, and the high c/a of BT-PVP to heterogeneous particle growth using TiO2 seeds.

Raman spectroscopy study of the tetragonal-to-monoclinic transition in zirconium oxide scales and determination of overall oxygen diffusion by nuclear microanalysis of O18

International Nuclear Information System (INIS)

Godlewski, J.; Lambertin, M.; Gros, J.P.; Wadier, J.F.; Weidinger, H.

1991-01-01

This paper reports on two allotropic forms of zirconium oxide, monoclinic and tetragonal that have been identified in the scales formed on zirconium alloys. The transition from tetragonal to monoclinic has been followed by Z-ray measurements and Raman laser spectroscopy. Information on the average content of the tetragonal phase was obtained by X-ray diffraction, whereas Raman laser analyses on tapered sections revealed its distribution through the scale thickness. Oxidation exposures were made in an autoclave, using H 2 O 18 and D 2 O 18 to determine the overall diffusion coefficients. In particular, oxide scales have been studied on Zircaloy-4 with three different precipitate sizes, and on a Zr-1Nb alloy, after exposure in an autoclave for between 3 and 100 days. The specimens were analyzed in detail in the vicinity of the kinetics transition point, where the acceleration of corrosion occurs. Raman spectroscopy analyses enabled the crystallographic nature of the ZrO 2 to be determined. Close to the interface, the tetragonal phase content is about 40%, when after the transition the tetragonal phase is transformed into monoclinic. The O 18 diffusion treatment was carried out in an autoclave at 400 degrees C under pressure on specimens previously oxidized for between 3 and 100 days in natural water vapor pressure. The diffusion profiles were determined by nuclear microanalysis using the O 18 (p, α) → N 15 reaction. Based on these profiles, the volume and grain boundary diffusion coefficients were calculated for each material and for each oxidation time

Acoustic emission characterization of the tetragonal-monoclinic phase transformation in zirconia

International Nuclear Information System (INIS)

Clarke, D.R.; Arora, A.

1983-01-01

The processes accompanying the tetragonal-monoclinic phase transformation in zirconia (ZrO 2 ) have been studied using acoustic emission and electron microscopy in an attempt to characterize the different mechanisms by which the transformation can be accommodated in bulk materials. Experiments in which the acoustic emission is detected as specimens are cooled through the transformation, following densification by sintering, are described. For comparison, the acoustic emission from free, nominally unconstrained powders similarly cooled through the transformation is reported. The existence of distinct processes accompanying the phase transformation is established on the basis of postexperiment multiparametric correlation analysis of the acoustic emission

Shape memory lifetime of CeO2-stabilized tetragonal zirconia polycrystals

International Nuclear Information System (INIS)

Zhe Xiaoli; Li Bo; Meng Man

1993-01-01

Lifetime of shape memory effect (SME) of CeO 2 -stabilized tetragonal zirconia polycrystals was studied by means of both tests of constraint stress and constraint strain mode during reverse martensite transformation. Up to 8th cycling of SME, the shape of sample entirely recovered except microcracks in the constraint stress mode and the accumulated strain reached 4.6% in the constraint strain mode. It was found that the yield stress decreased, however, the reverse transformation temperature of stress-induced martensite increased with times of the cycling. The reason of these phenomena are discussed in terms of microcracking and strain energy relaxation

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

Oxidation of zirconium alloys in steam: influence of tetragonal zirconia on oxide growth mechanism

International Nuclear Information System (INIS)

Godlewski, J.

1990-07-01

The oxidation of zirconium alloys in presence of steam, presents after a 'parabolic' growth law, an acceleration of the oxidation velocity. This phenomenon limits the use of zirconium alloys as nuclear fuel cladding element. In order to determine the physico-chemical process leading to this kinetic transition, two approaches have been carried out: the first one has consisted to determine the composition of the oxide layer and its evolution with the oxidation time; and the second one to determine the oxygen diffusion coefficients in the oxide layers of pre- and post-transition as well as their evolution with the oxidation time. The composition of the oxide layers has been determined by two analyses techniques: the X-ray diffraction and the laser Raman spectroscopy. This last method has allowed to confirm the presence of tetragonal zirconium oxide in the oxide layers. Analyses carried out by laser Raman spectroscopy on oxides oblique cuttings have revealed that the tetragonal zirconium oxide is transformed in monoclinic phase during the kinetic transition. A quantitative approach has allowed to corroborate the results obtained by these two techniques. In order to determine the oxygen diffusion coefficients in the oxides layers, two diffusion treatments have been carried out: 1)under low pressure with D 2 18 O 2 ) under high pressure in an autoclave with H 2 18 O. The oxygen 18 concentration profiles have been obtained by two analyses techniques: the nuclear microprobe and the secondary ions emission spectroscopy. The obtained profiles show that the mass transport is made by the volume and particularly by the grain boundaries. The corresponding diffusion coefficients have been calculated with the WHIPPLE and LE CLAIRE solution. The presence of tetragonal zirconium oxide, its relation with the kinetic transition, and the evolution of the diffusion coefficients with the oxidation time, are discussed in terms of internal stresses in the oxide layer and of the oxide layer

The mechanical response of tetragonal zirconia polycrystal to conical indentation

International Nuclear Information System (INIS)

Asif, S.A.S.; Biswas, S.K.

1994-01-01

Blocks of 3Y-TZP were indented with conical diamond indenters. Indentation caused tetragonal to monoclinic phase transformation in a subsurface. Of the cracks generated in the subsurface, radial and lateral cracks can be accounted for by a continuum model of the indented subsurface, built using a combination of the Boussinesq and blister stress fields. Additional ring, median and cone cracks were also observed. It is hypothesized that the latter are motivated by the reduction in blister strength or residual energy brought about by the material damage caused by the phase transformation. This damage reduces the load bearing capacity of the material progressively with increasing normal load. (author). 13 refs., 5 figs., 2 tabs

Lattice parameter values and phase transitions for the Cu{sub 2}Cd{sub 1-z}Mn {sub z}GeSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe {sub z}GeSe{sub 4} alloys

Energy Technology Data Exchange (ETDEWEB)

Quintero, E. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Tovar, R. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Quintero, M. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela)]. E-mail: mquinter@ula.ve; Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Morocoima, M. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Caldera, D. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Ruiz, J. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Mora, A.E. [Laboratorio de Analisis Quimico y Estructural de Materiales, Departamento de Fisica, Universidad de Los Andes, Merida 5101 (Venezuela); Briceno, M. [Laboratorio de Analisis Quimico y Estructural de Materiales, Departamento de Fisica, Universidad de Los Andes, Merida 5101 (Venezuela); Fernandez, J.L. [Laboratorio de Analisis Quimico y Estructural de Materiales, Departamento de Fisica, Universidad de Los Andes, Merida 5101 (Venezuela)

2007-04-25

X-ray powder diffraction measurements and differential thermal analysis (DTA) were made on polycrystalline samples of the Cu{sub 2}Cd{sub 1-z}Mn {sub z}GeSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe {sub z}GeSe{sub 4} alloy systems. The diffraction patterns were used to show the equilibrium conditions and to derive lattice parameter values. The effect of the annealing temperature and cooling rate to room temperature are discussed. For the Cu{sub 2}Cd{sub 1-z}Fe {sub z}GeSe{sub 4} system, only two single solid phase fields, the tetragonal stannite {alpha} and the wurtz-stannite {delta} structures were found to occur in the diagram. For the Cu{sub 2}Cd{sub 1-z}Mn {sub z}GeSe{sub 4} system, in addition to the tetragonal stannite {alpha} and the wurtz-stannite {delta} phases, MnSe was found to exist in the diagram. The DTA experiments showed that the cooling curves for both systems exhibited effects of undercooling.

Lattices for laymen: a non-specialist's introduction to lattice gauge theory

International Nuclear Information System (INIS)

Callaway, D.J.E.

1985-01-01

The review on lattice gauge theory is based upon a series of lectures given to the Materials Science and Technology Division at Argonne National Laboratory. Firstly the structure of gauge theories in the continuum is discussed. Then the lattice formulation of these theories is presented, including quantum electrodynamics and non-abelian lattice gauge theories. (U.K.)

Lattice QCD on fine lattices

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.

Mechanism of the monoclinic-to-tetragonal phase transition induced in zirconia and hafnia by swift heavy ions

International Nuclear Information System (INIS)

Benyagoub, Abdenacer

2005-01-01

Recent results demonstrated that defect formation or amorphization are not the only structural changes induced by swift heavy ions in crystalline materials and that under certain circumstances crystalline-to-crystalline phase transitions can also occur. For instance, it was found that both zirconia and hafnia transform from the monoclinic to the tetragonal phase with a kinetics involving a double ion impact process. In order to understand the origin of this ion-beam induced phase transition, the behavior of these twin oxides was analyzed and compared. In fact, the likeness of these materials offered the unique opportunity to impose drastic constraints on the possible models proposed to explain the creation of atomic displacements in the wake of swift heavy ions. This comparison clearly suggests that the thermal spike is the most appropriate process which governs the transition from the monoclinic to the tetragonal phase in zirconia and hafnia

On singularities of lattice varieties

OpenAIRE

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.

Low Friction in CuO-Doped Yttria-Stabilized Tetragonal Zirconia Ceramics: A Complementary Macro- and Nanotribology Study

NARCIS (Netherlands)

Tocha, E.; Pasaribu, H.R.; Schipper, Dirk J.; Schönherr, Holger; Vancso, Gyula J.

2008-01-01

The tribological behavior of CuO-doped yttria-stabilized tetragonal zirconia (3Y-TZP) ceramics in the absence of additional lubricants was characterized by macroscale pin-on-disk measurements and nanoscale atomic force microscopy (AFM) for a broad range of velocities. The previously observed low

Synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanosized powders prepared using a simple co-precipitation process

Energy Technology Data Exchange (ETDEWEB)

Hsu, Yu-Wei [Graduate Institute of Applied Science, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Yang, Ko-Ho, E-mail: yangkoho@cc.kuas.edu.tw [Graduate Institute of Applied Science, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Department of Mold and Die Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Chang, Kuo-Ming [Department of Mechanical Engineering, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Dental Materials Research Center, National Kaohsiung University of Applied Sciences, 415 Chien-Kung Road, Kaohsiung 80782, Taiwan (China); Yeh, Sung-Wei [Metal Industries Research and Development Centre, 1001 Kaohsiung Highway, Kaohsiung 811, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetics Science, Kaohsiung Medical University, 100, Shihchuan 1st Road, Kaohsiung 80728, Taiwan (China)

2011-06-16

Highlights: > The thermal behavior of 3Y-TZP precursor powders had been investigated. > The crystallization behavior of 3Y-TZP nanopowders had been investigated. > The activation energy for crystallization of tetragonal ZrO{sub 2} was obtained. > The growth morphology parameter n is approximated as 2.0. > The crystallites show a plate-like morphology. - Abstract: The synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanopowders prepared using a simple co-precipitation process at 348 K and pH = 7 were investigated using differential scanning calorimetry/thermogravimetry (DSC/TG), an X-ray diffractometer (XRD), the Raman spectra, transmission electron microscopy (TEM), selected area electron diffraction (SAED), and an energy dispersive spectrometer (EDS). The activation energy of tetragonal ZrO{sub 2} crystallization from 3Y-TZP freeze-dried precursor powders using a non-isothermal method, namely, 169.2 {+-} 21.9 kJ mol{sup -1}, was obtained. The growth morphology parameter n was approximated as 2.0, which indicated that it had a plate-like morphology. The XRD, Raman spectra, and SAED patterns showed that the phase of the tetragonal ZrO{sub 2} was maintained at 1273 K. The crystallite size of 3Y-TZP freeze-dried precursor powders calcined at 1273 K for 5 min was 21.3 nm.

Synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanosized powders prepared using a simple co-precipitation process

International Nuclear Information System (INIS)

Hsu, Yu-Wei; Yang, Ko-Ho; Chang, Kuo-Ming; Yeh, Sung-Wei; Wang, Moo-Chin

2011-01-01

Highlights: → The thermal behavior of 3Y-TZP precursor powders had been investigated. → The crystallization behavior of 3Y-TZP nanopowders had been investigated. → The activation energy for crystallization of tetragonal ZrO 2 was obtained. → The growth morphology parameter n is approximated as 2.0. → The crystallites show a plate-like morphology. - Abstract: The synthesis and crystallization behavior of 3 mol% yttria stabilized tetragonal zirconia polycrystals (3Y-TZP) nanopowders prepared using a simple co-precipitation process at 348 K and pH = 7 were investigated using differential scanning calorimetry/thermogravimetry (DSC/TG), an X-ray diffractometer (XRD), the Raman spectra, transmission electron microscopy (TEM), selected area electron diffraction (SAED), and an energy dispersive spectrometer (EDS). The activation energy of tetragonal ZrO 2 crystallization from 3Y-TZP freeze-dried precursor powders using a non-isothermal method, namely, 169.2 ± 21.9 kJ mol -1 , was obtained. The growth morphology parameter n was approximated as 2.0, which indicated that it had a plate-like morphology. The XRD, Raman spectra, and SAED patterns showed that the phase of the tetragonal ZrO 2 was maintained at 1273 K. The crystallite size of 3Y-TZP freeze-dried precursor powders calcined at 1273 K for 5 min was 21.3 nm.

Reactor lattice codes

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)

Lattice topology dictates photon statistics.

Science.gov (United States)

Kondakci, H Esat; Abouraddy, Ayman F; Saleh, Bahaa E A

2017-08-21

Propagation of coherent light through a disordered network is accompanied by randomization and possible conversion into thermal light. Here, we show that network topology plays a decisive role in determining the statistics of the emerging field if the underlying lattice is endowed with chiral symmetry. In such lattices, eigenmode pairs come in skew-symmetric pairs with oppositely signed eigenvalues. By examining one-dimensional arrays of randomly coupled waveguides arranged on linear and ring topologies, we are led to a remarkable prediction: the field circularity and the photon statistics in ring lattices are dictated by its parity while the same quantities are insensitive to the parity of a linear lattice. For a ring lattice, adding or subtracting a single lattice site can switch the photon statistics from super-thermal to sub-thermal, or vice versa. This behavior is understood by examining the real and imaginary fields on a lattice exhibiting chiral symmetry, which form two strands that interleave along the lattice sites. These strands can be fully braided around an even-sited ring lattice thereby producing super-thermal photon statistics, while an odd-sited lattice is incommensurate with such an arrangement and the statistics become sub-thermal.

TiAl doping by vanadium: ab initio study

International Nuclear Information System (INIS)

Smirnova, E.A.; Isaev, Eh.I.; Vekilov, Yu.Kh.

2004-01-01

Tetragonality degree in TiAl and vanadium doping effect on it were studied using the methods of calculation based on approximation of coherent potential and ab initio pseudopotentials. It is shown that vanadium substitution for Ti sublattice atoms entails increase in tetragonality degree but with substitution of the atoms in aluminium sublattice the tetragonality of the TiAl:V alloy decreases and at the content of vanadium about 8 at. % the lattice becomes actually cubical. In its turn, it may result in increase in TiAl ductility, the alloy being brittle at low temperatures [ru

Void lattices

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.)

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.)

Infrared studies of the monoclinic-tetragonal phase transition in Pb(Zr,Ti)O3 ceramics

International Nuclear Information System (INIS)

Guarany, C A; Pelaio, L H Z; Araujo, E B; Yukimitu, K; Moraes, J C S; Eiras, J A

2003-01-01

Recently, the observation of a new monoclinic phase in the PbZr 1-x Ti x O 3 (PZT) system in the vicinity of the morphotropic phase boundary was reported. Investigations of this new phase were reported using different techniques such as high-resolution synchrotron x-ray powder diffraction and Raman spectroscopy. In this work, the monoclinic → tetragonal phase transition in PbZr 0.50 Ti 0.50 O 3 ceramics was studied using infrared spectroscopy between 1000 and 400 cm -1 . The four possible ν 1 -stretching modes (Ti-O and Zr-O stretch) in the BO 6 octahedron in the ABO 3 structure of PZT in this region were monitored as a function of temperature. The lower-frequency mode ν 1 -(Zr-O) remains practically unaltered, while both intermediate ν 1 -(Ti-O) modes decrease linearly as temperature increases from 89 to 263 K. In contrast, the higher-frequency ν 1 -(Ti-O) and ν 1 -(Zr-O) modes present anomalous behaviour around 178 K. The singularity observed at this mode was associated with the monoclinic → tetragonal phase transition in PbZr 0.50 Ti 0.50 O 3 ceramics

MEETING: Lattice 88

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.

MEETING: Lattice 88

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

Lattice doped Zn–SnO{sub 2} nanospheres: A systematic exploration of dopant ion effects on structural, optical, and enhanced gas sensing properties

Energy Technology Data Exchange (ETDEWEB)

Baraneedharan, P. [Nanoscience and Technology, Anna University – BIT Campus, Tiruchirappalli 620024 (India); Alternative Energy and Nanotechnology Laboratory, Indian Institute of Technology Madras, Chennai 600036 (India); Imran Hussain, S. [Nanoscience and Technology, Anna University – BIT Campus, Tiruchirappalli 620024 (India); Department of Applied Science and Technology, Anna University, Chennai 600 025 (India); Dinesh, V.P. [Nanosensor Laboratory, PSG Institute of Advanced Studies, Coimbatore 641004 (India); Siva, C. [Nanoscience and Technology, Anna University – BIT Campus, Tiruchirappalli 620024 (India); Department of Physics and Nanotechnology, SRM University, Kattankulathur 603 203 (India); Biji, P. [Nanosensor Laboratory, PSG Institute of Advanced Studies, Coimbatore 641004 (India); Sivakumar, M., E-mail: muthusiva@gmail.com [Nanoscience and Technology, Anna University – BIT Campus, Tiruchirappalli 620024 (India)

2015-12-01

Graphical abstract: - Highlights: • A simple, novel and surfactant free hydrothermal route to prepare SnO{sub 2} nanospheres. • A systematic investigation of growth mechanism with the assist of time dependent HR-TEM images. • Incorporation of Zn ions into SnO{sub 2} lattices clearly elucidated with XRD and XPS spectrums. • Three fold time increased response in Zn–SnO{sub 2} nanospheres when compared to undoped SnO{sub 2}. - Abstract: A surfactant-free one step hydrothermal method is reported to synthesize zinc (Zn{sup 2+}) doped SnO{sub 2} nanospheres. The structural analysis of X-ray diffraction confirms the tetragonal crystal system of the material with superior crystalline nature. The shift in diffraction peak, variation in lattice constant and disparity in particle size confirm the incorporation of Zn{sup 2+} ions to the Sn host lattices. The lattice doped structure, the disparity in morphology, size and shape by the addition of Zn{sup 2+} ions are evident from X-ray photoelectron spectroscopic and electron microscopic analysis. Significant changes in the absorption edge and the band gap with increased doping concentration were observed in UV–vis absorption spectral analysis. The formation of acceptor energy levels with the incorporation of Zn{sup 2+} ions has a significant effect on the electrical conductivity of SnO{sub 2} nanospheres. Comparative tests for gas sensors based on Zn doped SnO{sub 2} nanospheres and SnO{sub 2} nanospheres clearly show that the former exhibited excellent NO{sub 2} sensing performance. The responses of Zn{sup 2+} ions incorporated SnO{sub 2} nanospheres sensor were increased 3 fold at trace level NO{sub 2} gas concentrations ranging from 1 to 5 ppm. The excellent sensitivity, selectivity and fast response make the Zn{sup 2+} doped SnO{sub 2} nanospheres ideal for NO{sub 2} sensing.

Twisted mass lattice QCD

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.)

Twisted mass lattice QCD

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.)

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

Quantum Mechanical Calculations Of Elastic Properties Of Doped Tetragonal Yttria-Stabilized Zirconium Dioxide

Directory of Open Access Journals (Sweden)

Yuriy Natanzon

2008-01-01

Full Text Available We report first principles calculations of the electronic and elastic properties of yttriastabilized tetragonal zirconium dioxide doped with metal oxides like: GeO2, TiO2, SiO2,MgO and Al2O3. It is shown that addition of such dopants affects selected elastic propertiesof ZrO2, which is driven by the attraction of electron density by dopant atom and creationof stronger dopant–oxygen bonds. This effect contributes to the increase of superplasticityof doped material.

Elastic interaction energies of defect structures

International Nuclear Information System (INIS)

Seitz, E.; de Fontaine, D.

1976-01-01

The elastic strain energy between point defects and small disk-shaped clusters of defects are calculated to determine stable configurations. A distortion tensor of tetragonal symmetry is assigned to each impurity atom. The tetragonality ratio t is varied to cover needle-type (t greater than 1), spherical (t = 1) and disk-type (t less than 0) strain fields. To vary the elastic properties of the host material, Fe, Cu, Al, and V were chosen as examples. Computer calculations are based on the microscopic theory of elasticity which emphasizes calculations in discrete Fourier space. Pairs of point defects order along [001] for t less than 1 and along (001) for t = 1 for all host elements. For t greater than 1 fcc lattices and bcc lattices behave differently. It is shown that only certain three dimensional periodic arrangements of parallel and perpendicular disk-like defect clusters are realized for given tetragonality ratio t and host element

CeO2-stabilized tetragonal ZrO2 polycrystals (Ce-TZP ceramics)

International Nuclear Information System (INIS)

Andrade Nono, M.C. de.

1990-12-01

This work presents the development and the characterization of CeO 2 -stabilized tetragonal ZrO 2 polycrystals (Ce-TZP ceramics), since it is considered candidate material for applications as structural high performance ceramics. Sintered ceramics were fabricated from mixtures of powders containing different CeO 2 content prepared by conventional and nonconventional techniques. These powders and their resultant sintered ceramics were specified by chemical and physical characterization, compactation state and mechanical properties. The chemical characteristics were determined by chemical analysis and the physical characteristics were evaluated by phase content, particle and agglomerate size and aspect, and powder porosity. (author)

Critical behavior of the spontaneous polarization and the dielectric susceptibility close to the cubic-tetragonal transition in BaTiO3

Directory of Open Access Journals (Sweden)

H. Yurtseven

2015-09-01

Full Text Available Using Landau mean field model, the spontaneous polarization and the dielectric susceptibility are analyzed as functions of temperature and pressure close to the cubic–tetragonal (ferroelectric–paraelectric transition in BaTiO3. From the analysis of the dielectric susceptibility and the spontaneous polarization, the critical exponents are deduced in the classical and quantum limits for BaTiO3. From the critical behavior of the dielectric susceptibility, the spontaneous polarization can be described for the ferroelectric–paraelectric (cubic to tetragonal transition between 4 and 8 GPa at constant temperatures of 0 to 200 K in BaTiO3 within the Landau mean field model given here.

Supersymmetric lattices

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.

Local atomic structure in tetragonal pure ZrO{sub 2} nanopowders

Energy Technology Data Exchange (ETDEWEB)

Acuna, Leandro M.; Lamas, Diego G.; Fuentes, Rodolfo O.; Fabregas, Ismael O. [CITEFA-CONICET, Villa Martelli, Provincia de Buenos Aires (AR). CINSO (Centro de Investigaciones en Solidos); Fantini, Marcia C.A.; Craievich, Aldo F. [Universidade de Sao Paulo (Brazil). Inst. de Fisica; Prado, Rogerio J. [Universidade Federal de Mato Grosso (UFMT), Cuiaba (Brazil). Inst. de Fisica

2010-04-15

The local atomic structures around the Zr atom of pure (undoped) ZrO{sub 2} nanopowders with different average crystallite sizes, ranging from 7 to 40 nm, have been investigated. The nanopowders were synthesized by different wetchemical routes, but all exhibit the high-temperature tetragonal phase stabilized at room temperature, as established by synchrotron radiation X-ray diffraction. The extended X-ray absorption fine structure (EXAFS) technique was applied to analyze the local structure around the Zr atoms. Several authors have studied this system using the EXAFS technique without obtaining a good agreement between crystallographic and EXAFS data. In this work, it is shown that the local structure of ZrO{sub 2} nanopowders can be described by a model consisting of two oxygen subshells (4+4 atoms) with different Zr-O distances, in agreement with those independently determined by X-ray diffraction. However, the EXAFS study shows that the second oxygen subshell exhibits a Debye-Waller (DW) parameter much higher than that of the first oxygen subshell, a result that cannot be explained by the crystallographic model accepted for the tetragonal phase of zirconia-based materials. However, as proposed by other authors, the difference in the DW parameters between the two oxygen subshells around the Zr atoms can be explained by the existence of oxygen displacements perpendicular to the z direction; these mainly affect the second oxygen subshell because of the directional character of the EXAFS DW parameter, in contradiction to the crystallographic value. It is also established that this model is similar to another model having three oxygen subshells, with a 4+2+2 distribution of atoms, with only one DW parameter for all oxygen subshells. Both models are in good agreement with the crystal structure determined by X-ray diffraction experiments. (orig.)

Accommodation of tin in tetragonal ZrO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Bell, B. D. C.; Grimes, R. W.; Wenman, M. R., E-mail: m.wenman@imperial.ac.uk [Department of Materials and Centre for Nuclear Engineering, Imperial College, London SW7 2AZ (United Kingdom); Murphy, S. T. [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom); Burr, P. A. [Department of Materials and Centre for Nuclear Engineering, Imperial College, London SW7 2AZ (United Kingdom); Institute of Materials Engineering, Australian Nuclear Science and Technology Organisation, Menai, New South Wales 2234 (Australia)

2015-02-28

Atomic scale computer simulations using density functional theory were used to investigate the behaviour of tin in the tetragonal phase oxide layer on Zr-based alloys. The Sn{sub Zr}{sup ×} defect was shown to be dominant across most oxygen partial pressures, with Sn{sub Zr}{sup ″} charge compensated by V{sub O}{sup ••} occurring at partial pressures below 10{sup −31 }atm. Insertion of additional positive charge into the system was shown to significantly increase the critical partial pressure at which Sn{sub Zr}{sup ″} is stable. Recently developed low-Sn nuclear fuel cladding alloys have demonstrated an improved corrosion resistance and a delayed transition compared to Sn-containing alloys, such as Zircaloy-4. The interaction between the positive charge and the tin defect is discussed in the context of alloying additions, such as niobium and their influence on corrosion of cladding alloys.

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

Reactor lattice codes

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)

Growth kinetics of tetragonal and monoclinic ZrO2 crystallites in 3 mol% yttria partially stabilized ZrO2 (3Y-PSZ) precursor powder

International Nuclear Information System (INIS)

Kuo, Chih-Wei; Lee, Kuen-Chan; Yen, Feng-Lin; Shen, Yun-Hwei; Lee, Huey-Er; Wen, Shaw-Bing; Wang, Moo-Chin; Stack, Margaret Mary

2014-01-01

Highlights: • The crystalline structures were composed of tetragonal and monoclinic ZrO 2 . • Growth kinetics of t-ZrO 2 in the 3Y-PSZ precursor powder is described as: D te 2 =(4.57±0.55)t 0.12±0.02 exp(-((24.79±0.38)×10 3 )/(RT) ). • Growth kinetics of m-ZrO 2 in the 3Y-PSZ precursor powder is described as: D m 2 =(4.40±1.63)t 0.17±0.08 exp(-((66.47±3.97)×10 3 )/(RT) ). - Abstract: The growth kinetics of tetragonal and monoclinic ZrO 2 crystallites in 3 mol% yttria partially stabilized ZrO 2 (3Y-PSZ) precursor powder has been investigated using X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) specific surface area analysis, transmission electron microscopy (TEM) and high resolution TEM (HRTEM). After calcination of the 3Y-PSZ precursor powder between 773 and 1073 K for 2 h, the crystalline structures were composed of tetragonal and monoclinic ZrO 2 as the primary and secondary phases, respectively. When the 3Y-PSZ precursor powder was calcined at 773 K for 2 h, the BET specific surface area was 97.13 m 2 /g, which is equivalent to a particle size of 10.30 nm. The crystallite sizes determined via XRD and BET agreed well, indicating that the powder was virtually non-agglomerated. The growth kinetics of tetragonal and monoclinic ZrO 2 crystallite isothermal growth in the 3Y-PSZ precursor powder are described by: D te 2 =(4.57±0.55)t 0.12±0.02 exp(-((24.79±0.38)×10 3 )/(RT) ) and D m 2 =(4.40±1.63)t 0.17±0.08 exp(-((66.47±3.97)×10 3 )/(RT) ), respectively, for 773K≤T≤1073K. D te and D m denote the crystallite size of tetragonal and monoclinic ZrO 2 at time t and temperature T, respectively

Anelastic anomalies and negative Poisson's ratio in tetragonal BaTiO3 ceramics

International Nuclear Information System (INIS)

Dong Liang; Stone, Donald S.; Lakes, Roderic S.

2010-01-01

Anelastic anomalies (sharp variations in modulus and damping with temperature) were observed in tetragonal BaTiO 3 via broadband viscoelastic spectroscopy after aging at 50 deg. C for 15 h. The effect was most pronounced under electrical short circuit condition, at low frequency and under small excitation strain (10 -6 ). Softening in bulk modulus and negative Poisson's ratio were observed near 60 deg. C. Effects are attributed to an oxygen vacancy mechanism. A relaxational model cannot account for sharp response at smaller strains. Heterogeneity of negative stiffness is considered as a cause.

Toward lattice fractional vector calculus

International Nuclear Information System (INIS)

Tarasov, Vasily E

2014-01-01

An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity. (papers)

Toward lattice fractional vector calculus

Science.gov (United States)

Tarasov, Vasily E.

2014-09-01

An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity.

Lattice gas cellular automata and lattice Boltzmann models an introduction

CERN Document Server

Wolf-Gladrow, Dieter A

2000-01-01

Lattice-gas cellular automata (LGCA) and lattice Boltzmann models (LBM) are relatively new and promising methods for the numerical solution of nonlinear partial differential equations. The book provides an introduction for graduate students and researchers. Working knowledge of calculus is required and experience in PDEs and fluid dynamics is recommended. Some peculiarities of cellular automata are outlined in Chapter 2. The properties of various LGCA and special coding techniques are discussed in Chapter 3. Concepts from statistical mechanics (Chapter 4) provide the necessary theoretical background for LGCA and LBM. The properties of lattice Boltzmann models and a method for their construction are presented in Chapter 5.

Lattice degeneracies of geometric fermions

International Nuclear Information System (INIS)

Raszillier, H.

1983-05-01

We give the minimal numbers of degrees of freedom carried by geometric fermions on all lattices of maximal symmetries in d = 2, 3, and 4 dimensions. These numbers are lattice dependent, but in the (free) continuum limit, part of the degrees of freedom have to escape to infinity by a Wilson mechanism built in, and 2sup(d) survive for any lattice. On self-reciprocal lattices we compare the minimal numbers of degrees of freedom of geometric fermions with the minimal numbers of naive fermions on these lattices and argue that these numbers are equal. (orig.)

Lattice gauge theory using parallel processors

International Nuclear Information System (INIS)

Lee, T.D.; Chou, K.C.; Zichichi, A.

1987-01-01

The book's contents include: Lattice Gauge Theory Lectures: Introduction and Current Fermion Simulations; Monte Carlo Algorithms for Lattice Gauge Theory; Specialized Computers for Lattice Gauge Theory; Lattice Gauge Theory at Finite Temperature: A Monte Carlo Study; Computational Method - An Elementary Introduction to the Langevin Equation, Present Status of Numerical Quantum Chromodynamics; Random Lattice Field Theory; The GF11 Processor and Compiler; and The APE Computer and First Physics Results; Columbia Supercomputer Project: Parallel Supercomputer for Lattice QCD; Statistical and Systematic Errors in Numerical Simulations; Monte Carlo Simulation for LGT and Programming Techniques on the Columbia Supercomputer; Food for Thought: Five Lectures on Lattice Gauge Theory

Lattice parameter values and phase transitions for the Cu2Cd1-zMnzSnSe4 and Cu2Cd1-zFezSnSe4 alloys

International Nuclear Information System (INIS)

Moreno, E.; Quintero, M.; Morocoima, M.; Quintero, E.; Grima, P.; Tovar, R.; Bocaranda, P.; Delgado, G.E.; Contreras, J.E.; Mora, A.E.; Briceno, J.M.; Avila Godoy, R.; Fernandez, J.L.; Henao, J.A.; Macias, M.A.

2009-01-01

X-ray powder diffraction measurements and differential thermal analysis (DTA) were made on polycrystalline samples of the Cu 2 Cd 1-z Mn z SnSe 4 and Cu 2 Cd 1-z Fe z SnSe 4 alloy systems. The diffraction patterns were used to show the equilibrium conditions and to derive lattice parameter values. For Cu 2 Cd 0.8 Fe 0.2 SnSe 4 as well as for Cu 2 Cd 0.2 Fe 0.8 SnSe 4 the crystal structures were refined using the Rietveld method. It was found that the internal distortion parameter σ decreases as Cd is replaced by either Mn and/or Fe. For the Cu 2 Cd 1-z Mn z SnSe 4 and Cu 2 Cd 1-z Fe z SnSe 4 alloy systems, only two single solid phase fields, the tetragonal stannite α(I4-bar2m) and the wurtz-stannite δ (Pmn2 1 ) structures were found to occur in the diagram. In addition to the tetragonal stannite α phase extra X-ray diffraction lines due to MnSe and/or FeSe 2 were observed for as grown samples in the range 0.7 < z < 1.0. However, it was found that the amount of the extra phase decreased for the compressed samples.

Study by X-ray diffraction of structure modifications induced by pressure in different actinide compounds: AnO2 dioxides (An=Th, Pu, Am), AnCl4 tetrachlorides (An=Th, U), UBx borides (x=2,4,12) and the carbide UC2

International Nuclear Information System (INIS)

Dancausse, J.P.

1991-01-01

Structural transitions, induced by pressure, of actinide compounds are studied by X-ray diffraction, the determination of incompressibility is also studied at atmospheric pressure. The crystal structure of ThO 2 , PuO 2 and AmO 2 evolves, near 40 MPa from a fcc lattice to an orthorhombic lattice. Incompressibility values associated to UO 2 and NpO 2 incompressibility evidence an important discontinuity between UO 2 and NpO 2 and other dioxides due to their different electronic structure. Tetragonal ThCl 4 and UCl 4 undergo a structure transition respectively at 2 and 5 GPa. UCl 4 becomes monoclinic and its color changes. At higher pressure these compounds become progressively amorphous. The crystal structure of uranium borides is not changed up to 50 GPa. UC 2 presents a phase transition at 17.6 GPa from a tetragonal to a hexagonal lattice

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.)

Complete titanium substitution by boron in a tetragonal prism: exploring the complex boride series Ti(3-x)Ru(5-y)Ir(y)B(2+x) (0 ≤ x ≤ 1 and 1 theory.

Science.gov (United States)

Fokwa, Boniface P T; Hermus, Martin

2011-04-18

Polycrystalline samples and single crystals of four members of the new complex boride series Ti(3-x)Ru(5-y)Ir(y)B(2+x) (0 ≤ x ≤ 1 and 1 X-ray diffraction as well as energy- and wavelength-dispersive X-ray spectroscopy analyses. They crystallize with the tetragonal Ti(3)Co(5)B(2) structure type in space group P4/mbm (No. 127). Tetragonal prisms of Ru/Ir atoms are filled with titanium in the boron-poorest phase (Ti(3)Ru(2.9)Ir(2.1)B(2)). Gradual substitution of titanium by boron then results in the successive filling of this site by a Ti/B mixture en route to the complete boron occupation, leading to the boron-richest phase (Ti(2)Ru(2.8)Ir(2.2)B(3)). Furthermore, both ruthenium and iridium share two sites in these structures, but a clear Ru/Ir site preference is found. First-principles density functional theory calculations (Vienna ab initio simulation package) on appropriate structural models (using a supercell approach) have provided more evidence on the stability of the boron-richest and -poorest phases, and the calculated lattice parameters corroborate very well with the experimentally found ones. Linear muffin-tin orbital atomic sphere approximation calculations further supported these findings through crystal orbital Hamilton population bonding analyses, which also show that the Ru/Ir-B and Ru/Ir-Ti heteroatomic interactions are mainly responsible for the structural stability of these compounds. Furthermore, some stable and unstable phases of this complex series could be predicted using the rigid-band model. According to the density of states analyses, all phases should be metallic conductors, as was expected from these metal-rich borides.

Sm/Ti co-substituted bismuth ferrite multiferroics: reciprocity between tetragonality and piezoelectricity.

Science.gov (United States)

Jha, Pardeep K; Jha, Priyanka A; Singh, Prabhakar; Ranjan, Rajeev; Dwivedi, R K

2017-10-04

BiFeO 3 (BFO) systems co-modified with Ti, Sm and Sm-Ti have been investigated for piezoelectricity together with dielectric and multiferroic properties. Structural studies revealed the coexistence of orthorhombic and rhombohedral (R3c) phases for x > 0.12. Impurity phases were shown to have hardly any effect on the remanent magnetization, which rather depends on the Fe-O-Fe bond angle. The dielectric loss was reduced considerably by substitution. A correlation between the piezoelectric coefficient and tetragonality was observed in these samples. BFO co-substituted with Sm-Ti exhibited a high piezoelectric coefficient with better ferroic properties, which revealed a unique combination of green piezoelectricity and multiferroicity.

Geometry of lattice field theory

International Nuclear Information System (INIS)

Honan, T.J.

1986-01-01

Using some tools of algebraic topology, a general formalism for lattice field theory is presented. The lattice is taken to be a simplicial complex that is also a manifold and is referred to as a simplicial manifold. The fields on this lattice are cochains, that are called lattice forms to emphasize the connections with differential forms in the continuum. This connection provides a new bridge between lattice and continuum field theory. A metric can be put onto this simplicial manifold by assigning lengths to every link or I-simplex of the lattice. Regge calculus is a way of defining general relativity on this lattice. A geometric discussion of Regge calculus is presented. The Regge action, which is a discrete form of the Hilbert action, is derived from the Hilbert action using distribution valued forms. This is a new derivation that emphasizes the underlying geometry. Kramers-Wannier duality in statistical mechanics is discussed in this general setting. Nonlinear field theories, which include gauge theories and nonlinear sigma models are discussed in the continuum and then are put onto a lattice. The main new result here is the generalization to curved spacetime, which consists of making the theory compatible with Regge calculus

Representation theory of lattice current algebras

International Nuclear Information System (INIS)

Alekseev, A.Yu.; Eidgenoessische Technische Hochschule, Zurich; Faddeev, L.D.; Froehlich, L.D.; Schomerus, V.; Kyoto Univ.

1996-04-01

Lattice current algebras were introduced as a regularization of the left-and right moving degrees of freedom in the WZNW model. They provide examples of lattice theories with a local quantum symmetry U q (G). Their representation theory is studied in detail. In particular, we construct all irreducible representations along with a lattice analogue of the fusion product for representations of the lattice current algebra. It is shown that for an arbitrary number of lattice sites, the representation categories of the lattice current algebras agree with their continuum counterparts. (orig.)

ISABELLE lattice

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

On the effective mass in tetragonal semiconductors in the presence of an arbitrarily oriented quantizing magnetic field

International Nuclear Information System (INIS)

Mondal, M.; Ghatak, K.P.

1984-01-01

A generalized expression of the effective mass of charge carriers in tetragonal semiconductors (taking n-Cd 3 As 2 as an example) in the presence of arbitrary magnetic quantization has been derived considering the generalized dispersion relation of the conduction electrons and taking into account only the effective mass of the electrons at the Fermi surface

Thermodynamic theory of intrinsic finite-size effects in PbTiO3 nanocrystals. I. Nanoparticle size-dependent tetragonal phase stability

Science.gov (United States)

Akdogan, E. K.; Safari, A.

2007-03-01

We propose a phenomenological intrinsic finite-size effect model for single domain, mechanically free, and surface charge compensated ΔG-P ⃗s-ξ space, which describes the decrease in tetragonal phase stability with decreasing ξ rigorously.

Far infrared and Raman response in tetragonal PZT ceramic films

Energy Technology Data Exchange (ETDEWEB)

Buixaderas, E.; Kadlec, C.; Vanek, P.; Drnovsek, S.; Ursic, H.; Malic, B.

2015-07-01

PbZr{sub 0}.38Ti{sub 0}.62O{sub 3} and PbZr{sub 0}.36Ti{sub 0}.64{sub O}3 thick films deposited by screen printing on (0 0 0 1) single crystal sapphire substrates and prepared at two different sintering temperatures, were studied by Fourier-transform infrared reflectivity, time-domain TH{sub z} transmission spectroscopy and micro-Raman spectroscopy. The dielectric response is discussed using the Lichtenecker model to account for the porosity of the films and to obtain the dense bulk dielectric functions. Results are compared with bulk tetragonal PZT 42/58 ceramics. The dynamic response in the films is dominated by an overdamped lead-based vibration in the TH{sub z} range, as known in PZT, but its evaluated dielectric contribution is affected by the porosity and roughness of the surface. (Author)

Cubic-to-Tetragonal Phase Transitions in Ag-Cu Nano rods

International Nuclear Information System (INIS)

Delogu, F.; Mascia, M.

2012-01-01

Molecular dynamics simulations have been used to investigate the structural behavior of nano rods with square cross section. The nano rods consist of pure Ag and Cu phases or of three Ag and Cu domains in the sequence Ag-Cu-Ag or Cu-Ag-Cu. Ag and Cu domains are separated by coherent interfaces. Depending on the side length and the size of individual domains, Ag and Cu can undergo a transition from the usual face-centered cubic structure to a body-centered tetragonal one. Such transition can involve the whole nano rod, or only the Ag domains. In the latter case, the transition is accompanied by a loss of coherency at the Ag-Cu interfaces, with a consequent release of elastic energy. The observed behaviors are connected with the stresses developed at the nano rod surfaces.

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

Basis reduction for layered lattices

NARCIS (Netherlands)

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

NARCIS (Netherlands)

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

Lattice-Based Revocable Certificateless Signature

Directory of Open Access Journals (Sweden)

Ying-Hao Hung

2017-10-01

Full Text Available Certificateless signatures (CLS are noticeable because they may resolve the key escrow problem in ID-based signatures and break away the management problem regarding certificate in conventional signatures. However, the security of the mostly previous CLS schemes relies on the difficulty of solving discrete logarithm or large integer factorization problems. These two problems would be solved by quantum computers in the future so that the signature schemes based on them will also become insecure. For post-quantum cryptography, lattice-based cryptography is significant due to its efficiency and security. However, no study on addressing the revocation problem in the existing lattice-based CLS schemes is presented. In this paper, we focus on the revocation issue and present the first revocable CLS (RCLS scheme over lattices. Based on the short integer solution (SIS assumption over lattices, the proposed lattice-based RCLS scheme is shown to be existential unforgeability against adaptive chosen message attacks. By performance analysis and comparisons, the proposed lattice-based RCLS scheme is better than the previously proposed lattice-based CLS scheme, in terms of private key size, signature length and the revocation mechanism.

Mechanism of the transition from orthorhombic to tetragonal YBa 2Cu 3O 7- x. Investigation of a reversible topotactic reaction in the electron microscope

Science.gov (United States)

Müller, J.-H.; Gruehn, R.

The phase transition from orthorhombic to tetragonal could be observed (in situ) with High-Resolution Transmission Electron Microscopy (HRTEM). In superconducting samples of YBa 2Cu 3O 7- x ( x=0.09) twinned areas were found which changed from orthorhombic to tetragonal symmetry upon electron irradiation parallel to the long c axis. In opposition to annealing experiments the length of the c-axis remained unchanged. The transition was reversible in the high vacuum of the electron microscope. Therefore we surmise that this reaction has no reductive character (no perceptible loss of oxygen). Within the tetragonal structure one can assume a statistical sharing (“disorder”) of oxygen by the metal atoms. The transition could also be explained by a migration of oxygen to the surface. After finishing the irradiation experiment and waiting for several minutes, the oxygen seems to occupy partially ordered positions resulting again in an orthorhombic symmetry. In some cases we could observed transition states of the structural transformation. A schematic model of the mechanism is depicted.

Superior Properties of Energetically Stable La2/3Sr1/3MnO3/Tetragonal BiFeO3 Multiferroic Superlattices

KAUST Repository

Feng, Nan; Mi, Wenbo; Wang, Xiaocha; Cheng, Yingchun; Schwingenschlö gl, Udo

2015-01-01

The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.

Superior Properties of Energetically Stable La2/3Sr1/3MnO3/Tetragonal BiFeO3 Multiferroic Superlattices

KAUST Repository

Feng, Nan

2015-04-30

The superlattice of energetically stable La2/3Sr1/3MnO3 and tetragonal BiFeO3 is investigated by means of density functional theory. The superlattice as a whole exhibits a half-metallic character, as is desired for spintronic devices. The interfacial electronic states and exchange coupling are analyzed in details. We demonstrate that the interfacial O atoms play a key role in controlling the coupling. The higher ferroelectricity of tetragonal BiFeO3 and stronger response to the magnetic moment in La2/3Sr1/3MnO3/BiFeO3 superlattice show a strongly enhanced electric control of the magnetism as compared to the rhombohedral one. Therefore, it is particularly practical interest in the magnetoelectric controlled spintronic devices.

Lattice Higgs models

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

Nuclear lattice simulations

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.

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

Hyper-lattice algebraic model for data warehousing

CERN Document Server

Sen, Soumya; Chaki, Nabendu

2016-01-01

This book presents Hyper-lattice, a new algebraic model for partially ordered sets, and an alternative to lattice. The authors analyze some of the shortcomings of conventional lattice structure and propose a novel algebraic structure in the form of Hyper-lattice to overcome problems with lattice. They establish how Hyper-lattice supports dynamic insertion of elements in a partial order set with a partial hierarchy between the set members. The authors present the characteristics and the different properties, showing how propositions and lemmas formalize Hyper-lattice as a new algebraic structure.

An overview of lattice QCD

International Nuclear Information System (INIS)

Woloshyn, R.M.

1988-03-01

The basic concepts of the Lagrangian formulation of lattice field theory are discussed. The Wilson and staggered schemes for dealing with fermions on the lattice are described. Some recent results for hadron masses and vector and axial vector current matrix elements in lattice QCD are reviewed. (Author) (118 refs., 16 figs.)

Hadron structure from lattice QCD

International Nuclear Information System (INIS)

Schaefer, Andreas

2008-01-01

Some elements and current developments of lattice QCD are reviewed, with special emphasis on hadron structure observables. In principle, high precision experimental and lattice data provide nowadays a very detailled picture of the internal structure of hadrons. However, to relate both, a very good controle of perturbative QCD is needed in many cases. Finally chiral perturbation theory is extremely helpful to boost the precision of lattice calculations. The mutual need and benefit of all four elements: experiment, lattice QCD, perturbative QCD and chiral perturbation theory is the main topic of this review

Lattice formulations of reggeon interactions

International Nuclear Information System (INIS)

Brower, R.C.; Ellis, J.; Savit, R.; Zinn-Justin, J.

1976-01-01

A class of lattice analogues to reggeon field theory is examined. First the transition from a continuum to a lattice field theory is discussed, emphasizing the necessity of a Wick rotation and the consideration of symmetry properties. Next the theory is transformed to a discrete system with two spins at each lattice site, and the problems of the triple-reggeon interaction and the reggeon energy gap are discussed. It is pointed out that transferring the theory from the continuum to a lattice necesarily introduces new relevant operators not normally present in reggeon field theory. (Auth.)

Deformation bands in ceria-stabilized tetragonal zirconia/alumina. 2: Stress-induced aging at room temperature

International Nuclear Information System (INIS)

Sergo, V.; Clarke, D.R.

1995-01-01

A stress-induced aging phenomenon is observed to occur at room temperature in deformation bands introduced into a 8.5 mol% ceria-stabilized tetragonal zirconia/alumina (Ce-TZP/Al 2 O 3 ) composite by flexural loading. The aging occurs with time after unloading and in laboratory air. Over a period of 100 days, the concentration of monoclinic zirconia within a deformation band increases and, in addition, the wedge-shaped deformation band grows with time. Accompanying these two changes are an increase in the tensile stress in the remaining tetragonal zirconia within the deformation band and a consequential increase in the overall compressive stress within the band. The average value of the monoclinic concentration within the deformation band is found to increase parabolically with time, suggesting the mechanism responsible for the observed aging is diffusion limited. Away from the deformation bands, no aging is observed to occur, suggesting aging is stress dependent. Although a water-vapor-mediated mechanism cannot be ruled out, it is proposed that the observed aging is in fact due to a tensile stress assisted chemical reduction of Ce 4+ to Ce 3+ whose rate is controlled by the indiffusion of oxygen vacancies driven by the tensile stress gradient. It is further proposed that the deformation band grows with time the region ahead of the band is under tension a subject to an enhanced rate of reduction

Irreversible stochastic processes on lattices

International Nuclear Information System (INIS)

Nord, R.S.

1986-01-01

Models for irreversible random or cooperative filling of lattices are required to describe many processes in chemistry and physics. Since the filling is assumed to be irreversible, even the stationary, saturation state is not in equilibrium. The kinetics and statistics of these processes are described by recasting the master equations in infinite hierarchical form. Solutions can be obtained by implementing various techniques: refinements in these solution techniques are presented. Programs considered include random dimer, trimer, and tetramer filling of 2D lattices, random dimer filling of a cubic lattice, competitive filling of two or more species, and the effect of a random distribution of inactive sites on the filling. Also considered is monomer filling of a linear lattice with nearest neighbor cooperative effects and solve for the exact cluster-size distribution for cluster sizes up to the asymptotic regime. Additionally, a technique is developed to directly determine the asymptotic properties of the cluster size distribution. Finally cluster growth is considered via irreversible aggregation involving random walkers. In particular, explicit results are provided for the large-lattice-size asymptotic behavior of trapping probabilities and average walk lengths for a single walker on a lattice with multiple traps. Procedures for exact calculation of these quantities on finite lattices are also developed

Non-Abelian vortex lattices

Science.gov (United States)

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.

Atomic-Scale Structure of Al2O3-ZrO2 Mixed Oxides Prepared by Laser Ablation

International Nuclear Information System (INIS)

Yang Xiuchun; Dubiel, M.; Hofmeister, H.; Riehemann, W.

2007-01-01

By means of x-ray diffractometry (XRD) and X-ray absorption fine structure spectroscopy, the phase composition and atomic structure of laser evaporated ZrO2 and ZrO2-Al2O3 nanopowders have been studied. The results indicate that pure ZrO2 exists in the form of tetragonal structure, Al2O3 doped ZrO2 nanoparticles, however, have cubic structure. Compared to bulk tetragonal ZrO2, pure tetragonal ZrO2 nanoparticles have a shorter Zr-O- and Zr-Zr shell, indicating that the lattice contracts with decreasing particle size. For Al2O3 doped ZrO2 solid solution, the distances of first Zr-O and Zr-Zr (Al) coordination decrease with increasing solid solubility. The disorder degree of the ZrO2 lattice increases with increasing solid solubility. The coevaporated ZrO2-Al2O3 is quickly solidified into amorphous phase when it is ablated in a higher pressure. The amorphous phase contains Zr-O-Zr (Al) clusters and has shorter Zr-O distance and tower Zr-O coordination number

Electric field-induced phase transitions and composition-driven nanodomains in rhombohedral-tetragonal potassium-sodium niobate-based ceramics

KAUST Repository

Lv, Xiang

2017-08-07

The mechanisms behind the high piezoelectricity of (K,Na)NbO3-based lead-free ceramics were investigated, including electric field-induced phase transitions and composition-driven nanodomains. The construction of a rhombohedral-tetragonal (R-T) phase boundary, confirmed using several advanced techniques, allowed a large piezoelectric constant (d33) of 450 ± 5 pC/N to be obtained in (1-x)K0.4Na0.6Nb0.945Sb0.055O3-xBi0.5Na0.5(Hf1-ySny)O3 (0 ≤ x ≤ 0.06 and 0 ≤ y ≤ 0.5) ceramics possessing an ultralow ΔUT-R of 7.4 meV. More importantly, the existence of an intermediate phase, i.e., the electric-induced phase (EIP), bridging the rhombohedral R [Ps//(111)] and tetragonal T [Ps//(001)] phases during the polarization rotation was demonstrated. Striped nanodomains (∼40 nm) that easily responded to external stimulation were also observed in the ceramics with an R-T phase. Thus, the enhanced piezoelectric properties originated from EIP and the striped nanodomains.

Effect of superconductivity on the cubic to tetragonal structural transition due to a two-fold degenerate electronic band

International Nuclear Information System (INIS)

Ghatak, S.K.; Khanra, B.C.; Ray, D.K.

1978-01-01

The effect of the BCS superconductivity on the cubic to tetragonal structural transition arising from a two-fold degenerate electronic band is investigated within the mean field approximation. The phase diagram of the two transitions is given for a half filled esub(g)-band. Modification of the two transitions when they are close together is also discussed. (author)

Superspace approach to lattice supersymmetry

International Nuclear Information System (INIS)

Kostelecky, V.A.; Rabin, J.M.

1984-01-01

We construct a cubic lattice of discrete points in superspace, as well as a discrete subgroup of the supersymmetry group which maps this ''superlattice'' into itself. We discuss the connection between this structure and previous versions of lattice supersymmetry. Our approach clarifies the mathematical problems of formulating supersymmetric lattice field theories and suggests new methods for attacking them

Dynamical lattice theory

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

Computing nucleon EDM on a lattice

Science.gov (United States)

Abramczyk, Michael; Aoki, Sinya; Blum, Tom; Izubuchi, Taku; Ohki, Hiroshi; Syritsyn, Sergey

2018-03-01

I will discuss briefly recent changes in the methodology of computing the baryon EDM on a lattice. The associated correction substantially reduces presently existing lattice values for the proton and neutron theta-induced EDMs, so that even the most precise previous lattice results become consistent with zero. On one hand, this change removes previous disagreements between these lattice results and the phenomenological estimates of the nucleon EDM. On the other hand, the nucleon EDM becomes much harder to compute on a lattice. In addition, I will review the progress in computing quark chromo-EDM-induced nucleon EDM using chiral quark action.

Computing nucleon EDM on a lattice

Energy Technology Data Exchange (ETDEWEB)

Abramczyk, Michael; Izubuchi, Taku

2017-06-18

I will discuss briefly recent changes in the methodology of computing the baryon EDM on a lattice. The associated correction substantially reduces presently existing lattice values for the proton and neutron theta-induced EDMs, so that even the most precise previous lattice results become consistent with zero. On one hand, this change removes previous disagreements between these lattice results and the phenomenological estimates of the nucleon EDM. On the other hand, the nucleon EDM becomes much harder to compute on a lattice. In addition, I will review the progress in computing quark chromo-EDM-induced nucleon EDM using chiral quark action.

Cold collisions in dissipative optical lattices

International Nuclear Information System (INIS)

Piilo, J; Suominen, K-A

2005-01-01

The invention of laser cooling methods for neutral atoms allows optical and magnetic trapping of cold atomic clouds in the temperature regime below 1 mK. In the past, light-assisted cold collisions between laser cooled atoms have been widely studied in magneto-optical atom traps (MOTs). We describe here theoretical studies of dynamical interactions, specifically cold collisions, between atoms trapped in near-resonant, dissipative optical lattices. The extension of collision studies to the regime of optical lattices introduces several complicating factors. For the lattice studies, one has to account for the internal substates of atoms, position-dependent matter-light coupling, and position-dependent couplings between the atoms, in addition to the spontaneous decay of electronically excited atomic states. The developed one-dimensional quantum-mechanical model combines atomic cooling and collision dynamics in a single framework. The model is based on Monte Carlo wavefunction simulations and is applied when the lattice-creating lasers have frequencies both below (red-detuned lattice) and above (blue-detuned lattice) the atomic resonance frequency. It turns out that the radiative heating mechanism affects the dynamics of atomic cloud in a red-detuned lattice in a way that is not directly expected from the MOT studies. The optical lattice and position-dependent light-matter coupling introduces selectivity of collision partners. The atoms which are most mobile and energetic are strongly favoured to participate in collisions, and are more often ejected from the lattice, than the slow ones in the laser parameter region selected for study. Consequently, the atoms remaining in the lattice have a smaller average kinetic energy per atom than in the case of non-interacting atoms. For blue-detuned lattices, we study how optical shielding emerges as a natural part of the lattice and look for ways to optimize the effect. We find that the cooling and shielding dynamics do not mix

ZrO2TETRAGONAL OBTENIDO POR EL MÉTODO DE PRECIPITACIÓN CONTROLADA

OpenAIRE

CAMPO CEBALLOS, DIEGO A.; RODRIGUEZ PÁEZ, JORGE E.

2011-01-01

En este trabajo se utilizó el método de precipitación controlada para sintetizar ZrO2 tetragonal estabilizado con óxido de calcio, CaO. Los sólidos obtenidos se caracterizaron utilizando análisis térmico diferencial y gravimétrico (ATD/TG), Espectroscopia Infrarroja con transformada rápida de Fourier (FT-IR), Difracción de Rayos X (DRX), y microscopia electrónica de transmisión (MET). Los resultados indican que al tratar el polvo cerámico a una temperatura de 600 ºC se obtiene ZrO2 con fase c...

An experimental and theoretical investigation of phonons and lattice instabilities in metastable decompressed SrGeO sub 3 perovskite

CERN Document Server

Grzechnik, A; Wolf, G H; McMillan, P F

1998-01-01

We report detailed Raman and IR spectroscopic measurements for the decompressed high-pressure perovskite phase of SrGeO sub 3. The appearance of a first-order Raman spectrum and slight splittings in the infrared bands suggest that the symmetry of the recovered metastable perovskite phase is lowered from Pm3m. This interpretation is fully supported by first-principles LDA calculations using the LAPW method, which indicate a small tetragonal distortion. The static lattice energy is lowered by 3.3 meV (per formula unit) by allowing rotational relaxation of the GeO sub 6 octahedra. The calculations permit a reliable assignment of the zone centre phonon modes of SrGeO sub 3 perovskite. The calculated pressure dependence of the ferroic IR-active modes is in excellent agreement with our measured data and reveals an incipient soft-mode behaviour in the tension regime. Further calculations of the GeO sub 6 unit as a function of octahedral volume reveal instabilities to local off-centre Ge sup 4 sup + displacements as ...

Topological magnon bands in ferromagnetic star lattice

International Nuclear Information System (INIS)

Owerre, S A

2017-01-01

The experimental observation of topological magnon bands and thermal Hall effect in a kagomé lattice ferromagnet Cu(1–3, bdc) has inspired the search for topological magnon effects in various insulating ferromagnets that lack an inversion center allowing a Dzyaloshinskii–Moriya (DM) spin–orbit interaction. The star lattice (also known as the decorated honeycomb lattice) ferromagnet is an ideal candidate for this purpose because it is a variant of the kagomé lattice with additional links that connect the up-pointing and down-pointing triangles. This gives rise to twice the unit cell of the kagomé lattice, and hence more interesting topological magnon effects. In particular, the triangular bridges on the star lattice can be coupled either ferromagnetically or antiferromagnetically which is not possible on the kagomé lattice ferromagnets. Here, we study DM-induced topological magnon bands, chiral edge modes, and thermal magnon Hall effect on the star lattice ferromagnet in different parameter regimes. The star lattice can also be visualized as the parent material from which topological magnon bands can be realized for the kagomé and honeycomb lattices in some limiting cases. (paper)

Topological magnon bands in ferromagnetic star lattice.

Science.gov (United States)

Owerre, S A

2017-05-10

The experimental observation of topological magnon bands and thermal Hall effect in a kagomé lattice ferromagnet Cu(1-3, bdc) has inspired the search for topological magnon effects in various insulating ferromagnets that lack an inversion center allowing a Dzyaloshinskii-Moriya (DM) spin-orbit interaction. The star lattice (also known as the decorated honeycomb lattice) ferromagnet is an ideal candidate for this purpose because it is a variant of the kagomé lattice with additional links that connect the up-pointing and down-pointing triangles. This gives rise to twice the unit cell of the kagomé lattice, and hence more interesting topological magnon effects. In particular, the triangular bridges on the star lattice can be coupled either ferromagnetically or antiferromagnetically which is not possible on the kagomé lattice ferromagnets. Here, we study DM-induced topological magnon bands, chiral edge modes, and thermal magnon Hall effect on the star lattice ferromagnet in different parameter regimes. The star lattice can also be visualized as the parent material from which topological magnon bands can be realized for the kagomé and honeycomb lattices in some limiting cases.

Introduction to lattice gauge theories

International Nuclear Information System (INIS)

La Cock, P.

1988-03-01

A general introduction to Lattice Gauge Theory (LGT) is given. The theory is discussed from first principles to facilitate an understanding of the techniques used in LGT. These include lattice formalism, gauge invariance, fermions on the lattice, group theory and integration, strong coupling methods and mean field techniques. A review of quantum chromodynamics on the lattice at finite temperature and density is also given. Monte Carlo results and analytical methods are discussed. An attempt has been made to include most relevant data up to the end of 1987, and to update some earlier reviews existing on the subject. 224 refs., 33 figs., 14 tabs

Angles in hyperbolic lattices

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...

Working Group Report: Lattice Field Theory

Energy Technology Data Exchange (ETDEWEB)

Blum, T.; et al.,

2013-10-22

This is the report of the Computing Frontier working group on Lattice Field Theory prepared for the proceedings of the 2013 Community Summer Study ("Snowmass"). We present the future computing needs and plans of the U.S. lattice gauge theory community and argue that continued support of the U.S. (and worldwide) lattice-QCD effort is essential to fully capitalize on the enormous investment in the high-energy physics experimental program. We first summarize the dramatic progress of numerical lattice-QCD simulations in the past decade, with some emphasis on calculations carried out under the auspices of the U.S. Lattice-QCD Collaboration, and describe a broad program of lattice-QCD calculations that will be relevant for future experiments at the intensity and energy frontiers. We then present details of the computational hardware and software resources needed to undertake these calculations.

Ising antiferromagnet on the Archimedean lattices

Science.gov (United States)

Yu, Unjong

2015-06-01

Geometric frustration effects were studied systematically with the Ising antiferromagnet on the 11 Archimedean lattices using the Monte Carlo methods. The Wang-Landau algorithm for static properties (specific heat and residual entropy) and the Metropolis algorithm for a freezing order parameter were adopted. The exact residual entropy was also found. Based on the degree of frustration and dynamic properties, ground states of them were determined. The Shastry-Sutherland lattice and the trellis lattice are weakly frustrated and have two- and one-dimensional long-range-ordered ground states, respectively. The bounce, maple-leaf, and star lattices have the spin ice phase. The spin liquid phase appears in the triangular and kagome lattices.

Statistical hydrodynamics of lattice-gas automata

OpenAIRE

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...

On the performance of 1-level LDPC lattices

OpenAIRE

Sadeghi, Mohammad-Reza; Sakzad, Amin

2013-01-01

The low-density parity-check (LDPC) lattices perform very well in high dimensions under generalized min-sum iterative decoding algorithm. In this work we focus on 1-level LDPC lattices. We show that these lattices are the same as lattices constructed based on Construction A and low-density lattice-code (LDLC) lattices. In spite of having slightly lower coding gain, 1-level regular LDPC lattices have remarkable performances. The lower complexity nature of the decoding algorithm for these type ...

A preliminary X-ray diffraction study of the tetragonal superconducting oxide LaBa2Cu3O7-δ

International Nuclear Information System (INIS)

Hervieu, M.; Nguyen, N.; Michel, C.

1987-01-01

X-ray diffraction study of LaBa 2 Cu 3 O 7-δ showed that this tetragonal oxide exhibits an ordered oxygen deficient perovskite structure. It appears that the oxygen vacancy distribution differs from that observed for the orthorhombic superconductor YBa 2 Cu 3 O 7-δ . A structural model is proposed and discussed [fr

Self-assembled DNA Structures for Nanoconstruction

Science.gov (United States)

Yan, Hao; Yin, Peng; Park, Sung Ha; Li, Hanying; Feng, Liping; Guan, Xiaoju; Liu, Dage; Reif, John H.; LaBean, Thomas H.

2004-09-01

In recent years, a number of research groups have begun developing nanofabrication methods based on DNA self-assembly. Here we review our recent experimental progress to utilize novel DNA nanostructures for self-assembly as well as for templates in the fabrication of functional nano-patterned materials. We have prototyped a new DNA nanostructure known as a cross structure. This nanostructure has a 4-fold symmetry which promotes its self-assembly into tetragonal 2D lattices. We have utilized the tetragonal 2D lattices as templates for highly conductive metallic nanowires and periodic 2D protein nano-arrays. We have constructed and characterized a DNA nanotube, a new self-assembling superstructure composed of DNA tiles. We have also demonstrated an aperiodic DNA lattice composed of DNA tiles assembled around a long scaffold strand; the system translates information encoded in the scaffold strand into a specific and reprogrammable barcode pattern. We have achieved metallic nanoparticle linear arrays templated on self-assembled 1D DNA arrays. We have designed and demonstrated a 2-state DNA lattice, which displays expand/contract motion switched by DNA nanoactuators. We have also achieved an autonomous DNA motor executing unidirectional motion along a linear DNA track.

Microstructural evolution and stability of tetragonal precipitates in Y2O3 partially-stabilized ZrO2 single crystals

International Nuclear Information System (INIS)

Martinez-Fernandez, J.; Jimenez-Melendo, M.; Dominguez-Rodriguez, A.

1995-01-01

The microstructure and morphology of tetragonal precipitates (t-ZrO 2 ) in yttria partially-stabilized zirconia single crystals containing various amounts of Y 2 O 3 (3, 4, 4.7 and 5.8 mol%) have been studied as a function of aging time at 1,600 C in air. The precipitate size and volume fraction of t-ZrO 2 phase were determined using transmission electron microscopy. The evolution of the precipitate volume fraction with aging time indicated that the precipitation reaction was completed after 24 h of annealing, in agreement with the values of the Y 2 O 3 composition in the matrix measured by analytical electron microscopy. Further aging coarsened the precipitates which joined together forming fiber-like particles of several micrometers in length and remaining untransformed despite their large size. The stability of the t-ZrO 2 precipitates against the tetragonal to monoclinic transformation in the ZrO 2 -Y 2 O 3 system seems to be related to interactions between precipitates due to coherency stresses rather than with their morphological characteristics

Spatial classification with fuzzy lattice reasoning

NARCIS (Netherlands)

Mavridis, Constantinos; Athanasiadis, I.N.

2017-01-01

This work extends the Fuzzy Lattice Reasoning (FLR) Classifier to manage spatial attributes, and spatial relationships. Specifically, we concentrate on spatial entities, as countries, cities, or states. Lattice Theory requires the elements of a Lattice to be partially ordered. To match such

Fuel lattice design using heuristics and new strategies

Energy Technology Data Exchange (ETDEWEB)

Ortiz S, J. J.; Castillo M, J. A.; Torres V, M.; Perusquia del Cueto, R. [ININ, Carretera Mexico-Toluca s/n, Ocoyoacac 52750, Estado de Mexico (Mexico); Pelta, D. A. [ETS Ingenieria Informatica y Telecomunicaciones, Universidad de Granada, Daniel Saucedo Aranda s/n, 18071 Granada (Spain); Campos S, Y., E-mail: juanjose.ortiz@inin.gob.m [IPN, Escuela Superior de Fisica y Matematicas, Unidad Profesional Adolfo Lopez Mateos, Edif. 9, 07738 Mexico D. F. (Mexico)

2010-10-15

This work show some results of the fuel lattice design in BWRs when some allocation pin rod rules are not taking into account. Heuristics techniques like Path Re linking and Greedy to design fuel lattices were used. The scope of this work is to search about how do classical rules in design fuel lattices affect the heuristics techniques results and the fuel lattice quality. The fuel lattices quality is measured by Power Peaking Factor and Infinite Multiplication Factor at the beginning of the fuel lattice life. CASMO-4 code to calculate these parameters was used. The analyzed rules are the following: pin rods with lowest uranium enrichment are only allocated in the fuel lattice corner, and pin rods with gadolinium cannot allocated in the fuel lattice edge. Fuel lattices with and without gadolinium in the main diagonal were studied. Some fuel lattices were simulated in an equilibrium cycle fuel reload, using Simulate-3 to verify their performance. So, the effective multiplication factor and thermal limits can be verified. The obtained results show a good performance in some fuel lattices designed, even thought, the knowing rules were not implemented. A fuel lattice performance and fuel lattice design characteristics analysis was made. To the realized tests, a dell workstation was used, under Li nux platform. (Author)

Fuel lattice design using heuristics and new strategies

International Nuclear Information System (INIS)

Ortiz S, J. J.; Castillo M, J. A.; Torres V, M.; Perusquia del Cueto, R.; Pelta, D. A.; Campos S, Y.

2010-10-01

This work show some results of the fuel lattice design in BWRs when some allocation pin rod rules are not taking into account. Heuristics techniques like Path Re linking and Greedy to design fuel lattices were used. The scope of this work is to search about how do classical rules in design fuel lattices affect the heuristics techniques results and the fuel lattice quality. The fuel lattices quality is measured by Power Peaking Factor and Infinite Multiplication Factor at the beginning of the fuel lattice life. CASMO-4 code to calculate these parameters was used. The analyzed rules are the following: pin rods with lowest uranium enrichment are only allocated in the fuel lattice corner, and pin rods with gadolinium cannot allocated in the fuel lattice edge. Fuel lattices with and without gadolinium in the main diagonal were studied. Some fuel lattices were simulated in an equilibrium cycle fuel reload, using Simulate-3 to verify their performance. So, the effective multiplication factor and thermal limits can be verified. The obtained results show a good performance in some fuel lattices designed, even thought, the knowing rules were not implemented. A fuel lattice performance and fuel lattice design characteristics analysis was made. To the realized tests, a dell workstation was used, under Li nux platform. (Author)

Phase transition in Sr8[Al12O24](MoO4)2 aluminate sodalite (SAM)

International Nuclear Information System (INIS)

Depmeier, W.; Melzer, R.; Hu, X.

1993-01-01

The cubic-tetragonal phase transition at 571 K of the aluminate sodalite Sr 8 [Al 12 O 24 ](MoO 4 ) 2 (SAM) has ben studied by following the position of the (pseudo-)cubic {400} reflections as a function of temperature. The high resolution of the synchrotron powder diffraction experiment allowed the temperature dependencies to be followed with good precision. The tetragonal a lattice parameter appears to be a linear extrapolation of the cubic one, with only a small upward shift at the transition, whereas the c parameter decreases strongly below 571 K. These observations can be explained by a model which assumes the superposition of a ferroelastic strain component, and a volume strain component. The volume strain can be rationalized as being the result of a 'shearing' of the sodalite framework. Causes and consequences of the 'shearing' in relation to the sodalite framework are discussed. The weakly first-order transition is nearly tricritical; power-law exponents seem to be influenced by defects. The thermal expansion of the cubic lattice parameter, as well as of the tetragonal a axis, is nearly linear. The linear thermal-expansion coefficient α is 8.6(4)x10 -6 K -1 . The tetragonal c axis also expands linearly between room temperature and about Tc-100 K with practically the same coefficient, but behaves non-linearly nearer to the transition temperature. (orig.)

Quantum transport in d -dimensional lattices

International Nuclear Information System (INIS)

Manzano, Daniel; Chuang, Chern; Cao, Jianshu

2016-01-01

We show that both fermionic and bosonic uniform d -dimensional lattices can be reduced to a set of independent one-dimensional chains. This reduction leads to the expression for ballistic energy fluxes in uniform fermionic and bosonic lattices. By the use of the Jordan–Wigner transformation we can extend our analysis to spin lattices, proving the coexistence of both ballistic and non-ballistic subspaces in any dimension and for any system size. We then relate the nature of transport to the number of excitations in the homogeneous spin lattice, indicating that a single excitation always propagates ballistically and that the non-ballistic behaviour of uniform spin lattices is a consequence of the interaction between different excitations. (paper)

Embedded Lattice and Properties of Gram Matrix

Directory of Open Access Journals (Sweden)

Futa Yuichi

2017-03-01

Full Text Available In this article, we formalize in Mizar [14] the definition of embedding of lattice and its properties. We formally define an inner product on an embedded module. We also formalize properties of Gram matrix. We formally prove that an inverse of Gram matrix for a rational lattice exists. Lattice of Z-module is necessary for lattice problems, LLL (Lenstra, Lenstra and Lov´asz base reduction algorithm [16] and cryptographic systems with lattice [17].

Alumina reinforced tetragonal zirconia (TZP) composites. Final technical report, July 1, 1993--December 31, 1996

International Nuclear Information System (INIS)

Shetty, D.K.

1997-01-01

This final technical report summarizes the significant research results obtained during the period July 1, 1993 through December 31, 1996 in the DOE-supported research project entitled, open-quotes Alumina Reinforced Tetragonal Zirconia (TZP) Compositesclose quotes. The objective of the research was to develop high-strength and high-toughness ceramic composites by combining mechanisms of platelet, whisker or fiber reinforcement with transformation toughening. The approach used included reinforcement of Celia- or yttria-partially-stabilized zirconia (Ce-TZP or Y-TZP) with particulates, platelets, or continuous filaments of alumina

Transmission Electron Microscope Measures Lattice Parameters

Science.gov (United States)

Pike, William T.

1996-01-01

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

Lattice vibrations in α-boron

International Nuclear Information System (INIS)

Richter, W.

1976-01-01

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

Galilean invariant lattice Boltzmann scheme for natural convection on square and rectangular lattices

NARCIS (Netherlands)

Sman, van der R.G.M.

2006-01-01

In this paper we present lattice Boltzmann (LB) schemes for convection diffusion coupled to fluid flow on two-dimensional rectangular lattices. Via inverse Chapman-Enskog analysis of LB schemes including source terms, we show that for consistency with physics it is required that the moments of the

Growth kinetics of tetragonal and monoclinic ZrO{sub 2} crystallites in 3 mol% yttria partially stabilized ZrO{sub 2} (3Y-PSZ) precursor powder

Energy Technology Data Exchange (ETDEWEB)

Kuo, Chih-Wei [Department of Resources Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Lee, Kuen-Chan [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Yen, Feng-Lin, E-mail: flyen@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Shen, Yun-Hwei [Department of Resources Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Lee, Huey-Er [Department of Dentistry, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Department of Dentistry, Kaohsiung Medical University, Chung Ho Memorial Hospital, 100 Tzyou 1st Road, Kaohsiung 807, Taiwan (China); Wen, Shaw-Bing [General Education Center, Meiho Institute of Technology, 23 Pingguang Road, Neipu, Pingtung 91202, Taiwan (China); Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 807, Taiwan (China); Stack, Margaret Mary [Department of Mechanical and Aerospace Engineering, University of Strathclyde, 75 Montrose Street, Glasgow (United Kingdom)

2014-04-01

Highlights: • The crystalline structures were composed of tetragonal and monoclinic ZrO{sub 2}. • Growth kinetics of t-ZrO{sub 2} in the 3Y-PSZ precursor powder is described as: D{sub te}{sup 2}=(4.57±0.55)t{sup 0.12±0.02}exp(-((24.79±0.38)×10{sup 3})/(RT) ). • Growth kinetics of m-ZrO{sub 2} in the 3Y-PSZ precursor powder is described as: D{sub m}{sup 2}=(4.40±1.63)t{sup 0.17±0.08}exp(-((66.47±3.97)×10{sup 3})/(RT) ). - Abstract: The growth kinetics of tetragonal and monoclinic ZrO{sub 2} crystallites in 3 mol% yttria partially stabilized ZrO{sub 2} (3Y-PSZ) precursor powder has been investigated using X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) specific surface area analysis, transmission electron microscopy (TEM) and high resolution TEM (HRTEM). After calcination of the 3Y-PSZ precursor powder between 773 and 1073 K for 2 h, the crystalline structures were composed of tetragonal and monoclinic ZrO{sub 2} as the primary and secondary phases, respectively. When the 3Y-PSZ precursor powder was calcined at 773 K for 2 h, the BET specific surface area was 97.13 m{sup 2}/g, which is equivalent to a particle size of 10.30 nm. The crystallite sizes determined via XRD and BET agreed well, indicating that the powder was virtually non-agglomerated. The growth kinetics of tetragonal and monoclinic ZrO{sub 2} crystallite isothermal growth in the 3Y-PSZ precursor powder are described by: D{sub te}{sup 2}=(4.57±0.55)t{sup 0.12±0.02}exp(-((24.79±0.38)×10{sup 3})/(RT) ) and D{sub m}{sup 2}=(4.40±1.63)t{sup 0.17±0.08}exp(-((66.47±3.97)×10{sup 3})/(RT) ), respectively, for 773K≤T≤1073K. D{sub te} and D{sub m} denote the crystallite size of tetragonal and monoclinic ZrO{sub 2} at time t and temperature T, respectively.

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

Lattice gravity near the continuum limit

International Nuclear Information System (INIS)

Feinberg, G.; Friedberg, R.; Lee, T.D.; Ren, H.C.

1984-01-01

We prove that the lattice gravity always approaches the usual continuum limit when the link length l -> 0, provided that certain general boundary conditions are satisfied. This result holds for any lattice, regular or irregular. Furthermore, for a given lattice, the deviation from its continuum limit can be expressed as a power series in l 2 . General formulas for such a perturbative calculation are given, together with a number of illustrative examples, including the graviton propagator. The lattice gravity satisfies all the invariance properties of Einstein's theory of general relativity. In addition, it is symmetric under a new class of transformations that are absent in the usual continuum theory. The possibility that the lattice theory (with a nonzero l) may be more fundamental is discussed. (orig.)

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

Permutohedral Lattice CNNs

OpenAIRE

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....

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

Fine structure of spectra of a bound exciton in tetragonal zinc diphosphide

International Nuclear Information System (INIS)

Syrbu, N.N.; Morozova, V.I.; Stratan, G.I.

1989-01-01

Investigation into the low-temperature luminescence spectra recorded in different crystal geometry relative to the direction of incident radiation wave vector, has demonstrated the existence of saddle-shaped valent zone ceiling near k=0 in zinc tetragonal diphosphide monocrystals. Binding energies of free (2.2085 eV) and bound (A(2.1943eV)B(2.1765eV), C(2.1447eV)) excitons as well as the phonon energy value are determined by investigations into absorption spectrum and radiative recombination. Phonon-free lines of bound A 0 and C 0 excitons are splitted into 2.2 and 0.3 MeV respectively. The band exciton singlet-triplet state splittings in a magnetic field and their field dependences are obtained. The spectroscopic splitting factor g=1.9 is determined

Aliasing modes in the lattice Schwinger model

International Nuclear Information System (INIS)

Campos, Rafael G.; Tututi, Eduardo S.

2007-01-01

We study the Schwinger model on a lattice consisting of zeros of the Hermite polynomials that incorporates a lattice derivative and a discrete Fourier transform with many properties. Such a lattice produces a Klein-Gordon equation for the boson field and the exact value of the mass in the asymptotic limit if the boundaries are not taken into account. On the contrary, if the lattice is considered with boundaries new modes appear due to aliasing effects. In the continuum limit, however, this lattice yields also a Klein-Gordon equation with a reduced mass

Racetrack lattices for the TRIUMF KAON factory

International Nuclear Information System (INIS)

Servranckx, R.V.; Wienands, U.; Craddock, M.K.; Rees, G.H.

1989-03-01

Separated-function racetrack lattices have been developed for the KAON Factory accelerators that have more flexibility than the old circular lattices. 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. In addition the new lattices have fewer depolarizing resonances than the old circular 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.

Lattice-Like Total Perfect Codes

Directory of Open Access Journals (Sweden)

Araujo Carlos

2014-02-01

Full Text Available A contribution is made to the classification of lattice-like total perfect codes in integer lattices Λn via pairs (G, Φ formed by abelian groups G and homomorphisms Φ: Zn → G. A conjecture is posed that the cited contribution covers all possible cases. A related conjecture on the unfinished work on open problems on lattice-like perfect dominating sets in Λn with induced components that are parallel paths of length > 1 is posed as well.

Symmetry of semi-reduced lattices.

Science.gov (United States)

Stróż, Kazimierz

2015-05-01

The main result of this work is extension of the famous characterization of Bravais lattices according to their metrical, algebraic and geometric properties onto a wide class of primitive lattices (including Buerger-reduced, nearly Buerger-reduced and a substantial part of Delaunay-reduced) related to low-restricted semi-reduced descriptions (s.r.d.'s). While the `geometric' operations in Bravais lattices map the basis vectors into themselves, the `arithmetic' operators in s.r.d. transform the basis vectors into cell vectors (basis vectors, face or space diagonals) and are represented by matrices from the set {\\bb V} of all 960 matrices with the determinant ±1 and elements {0, ±1} of the matrix powers. A lattice is in s.r.d. if the moduli of off-diagonal elements in both the metric tensors M and M(-1) are smaller than corresponding diagonal elements sharing the same column or row. Such lattices are split into 379 s.r.d. types relative to the arithmetic holohedries. Metrical criteria for each type do not need to be explicitly given but may be modelled as linear derivatives {\\bb M}(p,q,r), where {\\bb M} denotes the set of 39 highest-symmetry metric tensors, and p,q,r describe changes of appropriate interplanar distances. A sole filtering of {\\bb V} according to an experimental s.r.d. metric and subsequent geometric interpretation of the filtered matrices lead to mathematically stable and rich information on the Bravais-lattice symmetry and deviations from the exact symmetry. The emphasis on the crystallographic features of lattices was obtained by shifting the focus (i) from analysis of a lattice metric to analysis of symmetry matrices [Himes & Mighell (1987). Acta Cryst. A43, 375-384], (ii) from the isometric approach and invariant subspaces to the orthogonality concept {some ideas in Le Page [J. Appl. Cryst. (1982), 15, 255-259]} and splitting indices [Stróż (2011). Acta Cryst. A67, 421-429] and (iii) from fixed cell transformations to transformations

Lattice gauge theories

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

Program LATTICE for Calculation of Parameters of Targets with Heterogeneous (Lattice) Structure

CERN Document Server

Bznuni, S A; Soloviev, A G; Sosnin, A N

2002-01-01

Program LATTICE, with which help it is possible to describe lattice structure for the program complex CASCAD, is created in the C++ language. It is shown that for model-based electronuclear system on a basis of molten salt reactor with graphite moderator at transition from homogeneous structure to heterogeneous at preservation of a chemical compound there is a growth of k_{eff} by approximately 6 %.

First-principles comparison of the cubic and tetragonal phases of Mo3Sb7

KAUST Repository

Nazir, Safdar; Auluck, Sushil V.; Pulikkotil, Jiji Thomas Joseph; Singh, Nirpendra; Schwingenschlö gl, Udo

2011-01-01

Using ab initio density functional based methods, we study the normal metal state properties of the ∼3 K Mo3Sb7 superconductor, in its high temperature cubic and low temperature tetragonal structures. Although the density of states at the Fermi energy is reasonably high in both structures, our calculations unequivocally show that there exists no long range magnetic ordering in this system. We also address the optical properties of the compound. The magnetism in Mo3Sb7 is studied by fixed spin moment calculations, which yield a shallow non-magnetic minimum, thus inferring propensity to a magnetic instability. © 2011 Elsevier B.V. All rights reserved.

First-principles comparison of the cubic and tetragonal phases of Mo3Sb7

KAUST Repository

Nazir, Safdar

2011-03-01

Using ab initio density functional based methods, we study the normal metal state properties of the ∼3 K Mo3Sb7 superconductor, in its high temperature cubic and low temperature tetragonal structures. Although the density of states at the Fermi energy is reasonably high in both structures, our calculations unequivocally show that there exists no long range magnetic ordering in this system. We also address the optical properties of the compound. The magnetism in Mo3Sb7 is studied by fixed spin moment calculations, which yield a shallow non-magnetic minimum, thus inferring propensity to a magnetic instability. © 2011 Elsevier B.V. All rights reserved.

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

Spatiotemporal complexity in coupled map lattices

International Nuclear Information System (INIS)

Kaneko, Kunihiko

1986-01-01

Some spatiotemporal patterns of couple map lattices are presented. The chaotic kink-like motions are shown for the phase motion of the coupled circle lattices. An extension of the couple map lattice approach to Hamiltonian dynamics is briefly reported. An attempt to characterize the high-dimensional attractor by the extension of the correlation dimension is discussed. (author)

Gauge theories on a small lattice

International Nuclear Information System (INIS)

Robson, D.; Webber, D.M.

1980-01-01

We present exact solutions to U(1), SU(2), and SU(3) lattice gauge theories on a Kogut-Susskind lattice consisting of a single plaquette. We demonstrate precise equivalence between the U(1) theory and the harmonic oscillator on an infinite one-dimensional lattice, and between the SU(N) theory and an N-fermion Schroedinger equation. (orig.)

One- and two-dimensional search of an equation of state using a newly released 2DRoptimize package

Science.gov (United States)

Jamal, M.; Reshak, A. H.

2018-05-01

A new package called 2DRoptimize has been released for performing two-dimensional searches of the equation of state (EOS) for rhombohedral, tetragonal, and hexagonal compounds. The package is compatible and available with the WIEN2k package. The 2DRoptimize package performs a convenient volume and c/a structure optimization. First, the package finds the best value for c/a and the associated energy for each volume. In the second step, it calculates the EoS. The package then finds the equation of the c/a ratio vs. volume to calculate the c/a ratio at the optimized volume. In the last stage, by using the optimized volume and c/a ratio, the 2DRoptimize package calculates a and c lattice constants for tetragonal and hexagonal compounds, as well as the a lattice constant with the α angle for rhombohedral compounds. We tested our new package based on several hexagonal, tetragonal, and rhombohedral structures, and the 2D search results for the EOS showed that this method is more accurate than 1D search. Our results agreed very well with the experimental data and they were better than previous theoretical calculations.

Lattice Methods for Quantum Chromodynamics

CERN Document Server

DeGrand, Thomas

2006-01-01

Numerical simulation of lattice-regulated QCD has become an important source of information about strong interactions. In the last few years there has been an explosion of techniques for performing ever more accurate studies on the properties of strongly interacting particles. Lattice predictions directly impact many areas of particle and nuclear physics theory and phenomenology. This book provides a thorough introduction to the specialized techniques needed to carry out numerical simulations of QCD: a description of lattice discretizations of fermions and gauge fields, methods for actually do

Lattice degeneration of the retina and retinal detachment.

Science.gov (United States)

Semes, L P

1992-01-01

Lattice retinal degeneration is considered the most significant peripheral retinal disorder potentially predisposing to retinal breaks and retinal detachment. Lattice degeneration affects the vitreous and inner retinal layers with secondary changes as deep as the retinal pigment epithelium and perhaps the choriocapillaris. Variations in clinical appearance are the rule; geographically, lattice lesions favor the vertical meridians between the equator and the ora serrata. Lattice degeneration begins early in life and has been reported in sequential generations of the same family. Along with its customary bilateral occurrence, lattice shares other characteristics of a dystrophy. The association between the vitreous and retina in lattice lesions may be responsible for the majority of lattice-induced retinal detachments. The tumultuous event of posterior vitreous separation in the presence of abnormally strong vitreoretinal adherence is the trigger for a retinal tear that, in turn, may lead to retinal detachment. Although retinal holes in young patients with lattice degeneration may play a role in the evolution of retinal detachment, the clinical course of lattice degeneration seems to be one of dormancy rather than of progressive change. This discussion outlines the pathophysiology of lattice retinal degeneration and the relationship of pathophysiology to clinical presentation. The epidemiology of lattice degeneration is summarized, as are the possible precursors to retinal detachment. A clinical characterization of the natural history of lattice degeneration is offered, and interventions for complications are described. To conclude, management strategies from a primary-care standpoint are reviewed.

Comparing the results of lattice and off-lattice simulations for the melt of nonconcatenated rings

International Nuclear Information System (INIS)

Halverson, Jonathan D; Kremer, Kurt; Grosberg, Alexander Y

2013-01-01

To study the conformational properties of unknotted and nonconcatenated ring polymers in the melt, we present a detailed qualitative and quantitative comparison of simulation data obtained by molecular dynamics simulation using an off-lattice bead-spring model and by Monte Carlo simulation using a lattice model. We observe excellent, and sometimes even unexpectedly good, agreement between the off-lattice and lattice results for many quantities measured including the gyration radii of the ring polymers, gyration radii of their subchains, contact probabilities, surface characteristics, number of contacts between subchains, and the static structure factors of the rings and their subchains. These results are, in part, put in contrast to Moore curves, and the open, linear polymer counterparts. While our analysis is extensive, our understanding of the ring melt conformations is still rather preliminary. (paper)

Discrete Lattice effect of various forcing methods of body force on immersed Boundary-Lattice Boltzmann method

Energy Technology Data Exchange (ETDEWEB)

Son, Sung Wan; Ha, Man Yeong; Yoon, Hyun Sik [Pusan National University, Busan (Korea, Republic of); Jeong, Hae Kwon [POSCO, Pohang (Korea, Republic of); Balachandar, S. [University of Florida, Florida (United States)

2013-02-15

We investigate the discrete lattice effect of various forcing methods in the lattice Boltzmann method (LBM) to include the body force obtained from the immersed boundary method (IBM). In the immersed boundary lattice Boltzmann method (IB-LBM), the LBM needs a forcing method to involve the body force on a forcing point near the immersed boundary that is calculated by IBM. The proper forcing method in LBM is derived to include the body force, which appears to resolve problems such as multiphase flow, non-ideal gas behavior, etc. Many researchers have adopted different forcing methods in LBM to involve the body force from IBM, even when they solved similar problems. However, it is necessary to evaluate the discrete lattice effect, which originates from different forcing methods in LBM, to include the effect of the body force from IBM on the results. Consequently, in this study, a rigorous analysis of the discrete lattice effect for different forcing methods in IB-LBM is performed by solving various problems.

Discrete Lattice effect of various forcing methods of body force on immersed Boundary-Lattice Boltzmann method

International Nuclear Information System (INIS)

Son, Sung Wan; Ha, Man Yeong; Yoon, Hyun Sik; Jeong, Hae Kwon; Balachandar, S.

2013-01-01

We investigate the discrete lattice effect of various forcing methods in the lattice Boltzmann method (LBM) to include the body force obtained from the immersed boundary method (IBM). In the immersed boundary lattice Boltzmann method (IB-LBM), the LBM needs a forcing method to involve the body force on a forcing point near the immersed boundary that is calculated by IBM. The proper forcing method in LBM is derived to include the body force, which appears to resolve problems such as multiphase flow, non-ideal gas behavior, etc. Many researchers have adopted different forcing methods in LBM to involve the body force from IBM, even when they solved similar problems. However, it is necessary to evaluate the discrete lattice effect, which originates from different forcing methods in LBM, to include the effect of the body force from IBM on the results. Consequently, in this study, a rigorous analysis of the discrete lattice effect for different forcing methods in IB-LBM is performed by solving various problems.

EPRI-LATTICE: a multigroup neutron transport code for light water reactor lattice physics calculations

International Nuclear Information System (INIS)

Jones, D.B.

1986-01-01

EPRI-LATTICE is a multigroup neutron transport computer code for the analysis of light water reactor fuel assemblies. It can solve the two-dimensional neutron transport problem by two distinct methods: (a) the method of collision probabilities and (b) the method of discrete ordinates. The code was developed by S. Levy Inc. as an account of work sponsored by the Electric Power Research Institute (EPRI). The collision probabilities calculation in EPRI-LATTICE (L-CP) is based on the same methodology that exists in the lattice codes CPM-2 and EPRI-CPM. Certain extensions have been made to the data representations of the CPM programs to improve the overall accuracy of the calculation. The important extensions include unique representations of scattering matrices and fission fractions (chi) for each composition in the problem. A new capability specifically developed for the EPRI-LATTICE code is a discrete ordinates methodology. The discrete ordinates calculation in EPRI-LATTICE (L-SN) is based on the discrete S/sub n/ methodology that exists in the TWODANT program. In contrast to TWODANT, which utilizes synthetic diffusion acceleration and supports multiple geometries, only the transport equations are solved by L-SN and only the data representations for the two-dimensional geometry are treated

Commensurability effects in holographic homogeneous lattices

International Nuclear Information System (INIS)

Andrade, Tomas; Krikun, Alexander

2016-01-01

An interesting application of the gauge/gravity duality to condensed matter physics is the description of a lattice via breaking translational invariance on the gravity side. By making use of global symmetries, it is possible to do so without scarifying homogeneity of the pertinent bulk solutions, which we thus term as “homogeneous holographic lattices.' Due to their technical simplicity, these configurations have received a great deal of attention in the last few years and have been shown to correctly describe momentum relaxation and hence (finite) DC conductivities. However, it is not clear whether they are able to capture other lattice effects which are of interest in condensed matter. In this paper we investigate this question focusing our attention on the phenomenon of commensurability, which arises when the lattice scale is tuned to be equal to (an integer multiple of) another momentum scale in the system. We do so by studying the formation of spatially modulated phases in various models of homogeneous holographic lattices. Our results indicate that the onset of the instability is controlled by the near horizon geometry, which for insulating solutions does carry information about the lattice. However, we observe no sharp connection between the characteristic momentum of the broken phase and the lattice pitch, which calls into question the applicability of these models to the physics of commensurability.

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.)

A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals

International Nuclear Information System (INIS)

Stashans, Arvids; Serrano, Sheyla; Medina, Paul

2006-01-01

Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO 3 crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results

More on random-lattice fermions

International Nuclear Information System (INIS)

Kieu, T.D.; Institute for Advanced Study, Princeton, NJ; Markham, J.F.; Paranavitane, C.B.

1995-01-01

The lattice fermion determinants, in a given background gauge field, are evaluated for two different kinds of random lattices and compared to those of naive and wilson fermions in the continuum limit. While the fermion doubling is confirmed on one kind of lattices, there is positive evidence that it may be absent for the other, at least for vector interactions in two dimensions. Combined with previous studies, arbitrary randomness by itself is shown to be not a sufficient condition to remove the fermion doublers. 8 refs., 3 figs

Lattice sums then and now

CERN Document Server

Borwein, J M; McPhedran, R C

2013-01-01

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

Theoretical studies of the local structure and electron paramagnetic resonance parameters for tetragonal VO{sup 2+} in C{sub 6}H{sub 7}KO{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Zhou, Ping [Chongqing Jiaotong Univ. (China). School of Science; Li, Ling [Sichuan University of Arts and Science, Dazhou (China). Dept. of Maths and Finance-Economics

2015-07-01

The optical spectra, electron paramagnetic resonance parameters (i.e., the spin Hamiltonian parameters, including paramagnetic g factors and the hyperfine structure constants A{sub i}) and the local distortion structure for the tetragonal VO{sup 2+} in C{sub 6}H{sub 7}KO{sub 7} are theoretically studied based on the crystal-field theory and three-order perturbation formulas of a 3d{sup 1} centre in tetragonal site. The magnitude of orbital reduction factor, core polarisation constant κ, and local structure parameters are obtained by fitting the calculated optical spectra and electron paramagnetic resonance parameters to the experimental values. The theoretical results are in reasonable agreement with the experimental values.

Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium tetrabromidocadmate

Directory of Open Access Journals (Sweden)

Tamara Đorđević

2016-07-01

Full Text Available Both unique Cd atoms in the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium tetrabromidocadmate, (C6H11N22[CdBr4], occupy special positions (site symmetry -4. The crystal structure consists of isolated tetrahedral [CdBr4]2− anions which are surrounded by 1-ethyl-3-methylimidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11:0.410 (11 ratio. In the crystal, (C6H11N2+ cations display three weak C—H...Br hydrogen-bond interactions through the imidazolium ring H atoms with the Br− ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding.

LATTICE/hor ellipsis/a beam transport program

International Nuclear Information System (INIS)

Staples, J.

1987-06-01

LATTICE is a computer program that calculates the first order characteristics of synchrotrons and beam transport systems. The program uses matrix algebra to calculate the propagation of the betatron (Twiss) parameters along a beam line. The program draws on ideas from several older programs, notably Transport and Synch, adds many new ones and incorporates them into an interactive, user-friendly program. LATTICE will calculate the matched functions of a synchrotron lattice and display them in a number of ways, including a high resolution Tektronix graphics display. An optimizer is included to adjust selected element parameters so the beam meets a set of constraints. LATTICE is a first order program, but the effect of sextupoles on the chromaticity of a synchrotron lattice is included, and the optimizer will set the sextupole strengths for zero chromaticity. The program will also calculate the characteristics of beam transport systems. In this mode, the beam parameters, defined at the start of the transport line, are propagated through to the end. LATTICE has two distinct modes: the lattice mode which finds the matched functions of a synchrotron, and the transport mode which propagates a predefined beam through a beam line. However, each mode can be used for either type of problem: the transport mode may be used to calculate an insertion for a synchrotron lattice, and the lattice mode may be used to calculate the characteristics of a long periodic beam transport system

Manipulation and quantification of microtubule lattice integrity

Directory of Open Access Journals (Sweden)

Taylor A. Reid

2017-08-01

Full Text Available Microtubules are structural polymers that participate in a wide range of cellular functions. The addition and loss of tubulin subunits allows the microtubule to grow and shorten, as well as to develop and repair defects and gaps in its cylindrical lattice. These lattice defects act to modulate the interactions of microtubules with molecular motors and other microtubule-associated proteins. Therefore, tools to control and measure microtubule lattice structure will be invaluable for developing a quantitative understanding of how the structural state of the microtubule lattice may regulate its interactions with other proteins. In this work, we manipulated the lattice integrity of in vitro microtubules to create pools of microtubules with common nucleotide states, but with variations in structural states. We then developed a series of novel semi-automated analysis tools for both fluorescence and electron microscopy experiments to quantify the type and severity of alterations in microtubule lattice integrity. These techniques will enable new investigations that explore the role of microtubule lattice structure in interactions with microtubule-associated proteins.

3D Metallic Lattices for Accelerator Applications

CERN Document Server

Shapiro, Michael A; Sirigiri, Jagadishwar R; Temkin, Richard J

2005-01-01

We present the results of research on 3D metallic lattices operating at microwave frequencies for application in (1) accelerator structures with higher order mode suppression, (2) Smith-Purcell radiation beam diagnostics, and (3) polaritonic materials for laser acceleration. Electromagnetic waves in a 3D simple cubic lattice formed by metal wires are calculated using HFSS. The bulk modes in the lattice are determined using single cell calculations with different phase advances in all three directions. The Brillouin diagram for the bulk modes is presented and indicates the absence of band gaps in simple lattices except the band below the cutoff. Lattices with thin wires as well as with thick wires have been analyzed. The Brillouin diagram also indicates the presence of low frequency 3D plasmon mode as well as the two degenerate photon modes analogous to those in a 2D lattice. Surface modes for a semi-infinite cubic lattice are modeled as a stack of cells with different phase advances in the two directions alon...

Strong dynamics and lattice gauge theory

Science.gov (United States)

Schaich, David

In this dissertation I use lattice gauge theory to study models of electroweak symmetry breaking that involve new strong dynamics. Electroweak symmetry breaking (EWSB) is the process by which elementary particles acquire mass. First proposed in the 1960s, this process has been clearly established by experiments, and can now be considered a law of nature. However, the physics underlying EWSB is still unknown, and understanding it remains a central challenge in particle physics today. A natural possibility is that EWSB is driven by the dynamics of some new, strongly-interacting force. Strong interactions invalidate the standard analytical approach of perturbation theory, making these models difficult to study. Lattice gauge theory is the premier method for obtaining quantitatively-reliable, nonperturbative predictions from strongly-interacting theories. In this approach, we replace spacetime by a regular, finite grid of discrete sites connected by links. The fields and interactions described by the theory are likewise discretized, and defined on the lattice so that we recover the original theory in continuous spacetime on an infinitely large lattice with sites infinitesimally close together. The finite number of degrees of freedom in the discretized system lets us simulate the lattice theory using high-performance computing. Lattice gauge theory has long been applied to quantum chromodynamics, the theory of strong nuclear interactions. Using lattice gauge theory to study dynamical EWSB, as I do in this dissertation, is a new and exciting application of these methods. Of particular interest is non-perturbative lattice calculation of the electroweak S parameter. Experimentally S ≈ -0.15(10), which tightly constrains dynamical EWSB. On the lattice, I extract S from the momentum-dependence of vector and axial-vector current correlators. I created and applied computer programs to calculate these correlators and analyze them to determine S. I also calculated the masses

Heavy water critical experiments on plutonium lattice

International Nuclear Information System (INIS)

Miyawaki, Yoshio; Shiba, Kiminori

1975-06-01

This report is the summary of physics study on plutonium lattice made in Heavy Water Critical Experiment Section of PNC. By using Deuterium Critical Assembly, physics study on plutonium lattice has been carried out since 1972. Experiments on following items were performed in a core having 22.5 cm square lattice pitch. (1) Material buckling (2) Lattice parameters (3) Local power distribution factor (4) Gross flux distribution in two region core (5) Control rod worth. Experimental results were compared with theoretical ones calculated by METHUSELAH II code. It is concluded from this study that calculation by METHUSELAH II code has acceptable accuracy in the prediction on plutonium lattice. (author)

Vitreous in lattice degeneration of retina.

Science.gov (United States)

Foos, R Y; Simons, K B

1984-05-01

A localized pocket of missing vitreous invariably overlies lattice degeneration of the retina. Subjects with lattice also have a higher rate of rhegmatogenous retinal detachment, which is usually a complication of retinal tears. The latter are in turn a result of alterations in the central vitreous--that is, synchysis senilis leading to posterior vitreous detachment. In order to determine if there is either an association or a deleterious interaction between the local and central lesions of the vitreous in eyes with lattice, a comparison was made in autopsy eyes with and without lattice the degree of synchysis and rate of vitreous detachment. Results show no association between the local and central vitreous lesions, indicating that a higher rate of vitreous detachment is not the basis for the higher rate of retinal detachment in eyes with lattice. Also, there was no suggestion of deleterious interaction between the local and central vitreous lesions, either through vitreodonesis as a basis for precocious vitreous detachment, or through a greater degree of synchysis as a basis for interconnection of local and central lacunae (which could extend the localized retinal detachment in eyes with holes in lattice degeneration).

END FIELD EFFECTS IN BEND ONLY COOLING LATTICES

International Nuclear Information System (INIS)

BEERG, J.S.; KIRK, H.; GARREN, A.

2003-01-01

Cooling lattices consisting only of bends (using either rotated pole faces or gradient dipoles to achieve focusing) often require large apertures and short magnets. One expects the effect of end fields to be significant in this case. In this paper we explore the effect of adding end fields to a working lattice design that originally lacked them. The paper describes the process of correcting the lattice design for the added end fields so as to maintain desirable lattice characteristics. It then compares the properties of the lattice with end fields relative to the lattice without them

On diffeomorphism invariance for lattice theories

International Nuclear Information System (INIS)

Corichi, A.; Zapata, J.

1997-01-01

We consider the role of the diffeomorphism constraint in the quantization of lattice formulations of diffeomorphism invariant theories of connections. It has been argued that in working with abstract lattices one automatically takes care of the diffeomorphism constraint in the quantum theory. We use two systems in order to show that imposing the diffeomorphism constraint is imperative to obtain a physically acceptable quantum theory. First, we consider 2+1 gravity where an exact lattice formulation is available. Next, general theories of connections for compact gauge groups are treated, where the quantum theories are known - for both the continuum and the lattice - and can be compared. (orig.)

Exact Lattice Supersymmetry

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.

Experimental generation of optical coherence lattices

Energy Technology Data Exchange (ETDEWEB)

Chen, Yahong; Cai, Yangjian, E-mail: serpo@dal.ca, E-mail: yangjiancai@suda.edu.cn [College of Physics, Optoelectronics and Energy and Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006 (China); Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province and Key Lab of Modern Optical Technologies of Education Ministry of China, Soochow University, Suzhou 215006 (China); Ponomarenko, Sergey A., E-mail: serpo@dal.ca, E-mail: yangjiancai@suda.edu.cn [Department of Electrical and Computer Engineering, Dalhousie University, Halifax, Nova Scotia B3J 2X4 (Canada)

2016-08-08

We report experimental generation and measurement of recently introduced optical coherence lattices. The presented optical coherence lattice realization technique hinges on a superposition of mutually uncorrelated partially coherent Schell-model beams with tailored coherence properties. We show theoretically that information can be encoded into and, in principle, recovered from the lattice degree of coherence. Our results can find applications to image transmission and optical encryption.

APS-U LATTICE DESIGN FOR OFF-AXIS ACCUMULATION

Energy Technology Data Exchange (ETDEWEB)

Sun, Yipeng; Borland, M.; Lindberg, R.; Sajaev, V.

2017-06-25

A 67-pm hybrid-seven-bend achromat (H7BA) lattice is being proposed for a future Advanced Photon Source (APS) multi-bend-achromat (MBA) upgrade project. This lattice design pushes for smaller emittance and requires use of a swap-out (on-axis) injection scheme due to limited dynamic acceptance. Alternate lattice design work has also been performed for the APS upgrade to achieve better beam dynamics performance than the nominal APS MBA lattice, in order to allow off-axis accumulation. Two such alternate H7BA lattice designs, which target a still-low emittance of 90 pm, are discussed in detail in this paper. Although the single-particle-dynamics performance is good, simulations of collective effects indicate that surprising difficulty would be expected accumulating high single-bunch charge in this lattice. The brightness of the 90-pm lattice is also a factor of two lower than the 67-pm H7BA lattice.

Report of the workshop on realistic SSC lattices

International Nuclear Information System (INIS)

1985-10-01

A workshop was held at the SSC Central Design Group from May 29 to June 4, 1985, on topics relating to the lattice of the SSC. The workshop marked a shift of emphasis from the investigation of simplified test lattices to the development of a realistic lattice suitable for the conceptual design report. The first day of the workshop was taken up by reviews of accelerator system requirements, of the reference design solutions for these requirements, of lattice work following the reference design, and of plans for the workshop. The work was divided among four working groups. The first, chaired by David Douglas, concerned the arcs of regular cells. The second group, which studied the utility insertions, was chaired by Beat Leemann. The third group, under David E. Johnson, concerned itself with the experimental insertions, dispersion suppressors, and phase trombones. The fourth group, responsible for global lattice considerations and the design of a new realistic lattice example, was led by Ernest Courant. The papers resulting from this workshop are roughly divided into three sets: those relating to specific lattice components, to complete lattices, and to other topics. Among the salient accomplishments of the workshop were additions to and optimization of lattice components, especially those relating to lattices using 1-in-1 magnets, either horizontally or vertically separated, and the design of complete lattice examples. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database

Coupled matter-wave solitons in optical lattices

Science.gov (United States)

Golam Ali, Sk; Talukdar, B.

2009-06-01

We make use of a potential model to study the dynamics of two coupled matter-wave or Bose-Einstein condensate (BEC) solitons loaded in optical lattices. With separate attention to linear and nonlinear lattices we find some remarkable differences for response of the system to effects of these lattices. As opposed to the case of linear optical lattice (LOL), the nonlinear lattice (NOL) can be used to control the mutual interaction between the two solitons. For a given lattice wave number k, the effective potentials in which the two solitons move are such that the well (Veff(NOL)), resulting from the juxtaposition of soliton interaction and nonlinear lattice potential, is deeper than the corresponding well Veff(LOL). But these effective potentials have opposite k dependence in the sense that the depth of Veff(LOL) increases as k increases and that of Veff(NOL) decreases for higher k values. We verify that the effectiveness of optical lattices to regulate the motion of the coupled solitons depends sensitively on the initial locations of the motionless solitons as well as values of the lattice wave number. For both LOL and NOL the two solitons meet each other due to mutual interaction if their initial locations are taken within the potential wells with the difference that the solitons in the NOL approach each other rather rapidly and take roughly half the time to meet as compared with the time needed for such coalescence in the LOL. In the NOL, the soliton profiles can move freely and respond to the lattice periodicity when the separation between their initial locations are as twice as that needed for a similar free movement in the LOL. We observe that, in both cases, slow tuning of the optical lattices by varying k with respect to a time parameter τ drags the oscillatory solitons apart to take them to different locations. In our potential model the oscillatory solitons appear to propagate undistorted. But a fully numerical calculation indicates that during evolution

Coupled matter-wave solitons in optical lattices

International Nuclear Information System (INIS)

Golam Ali, Sk; Talukdar, B.

2009-01-01

We make use of a potential model to study the dynamics of two coupled matter-wave or Bose-Einstein condensate (BEC) solitons loaded in optical lattices. With separate attention to linear and nonlinear lattices we find some remarkable differences for response of the system to effects of these lattices. As opposed to the case of linear optical lattice (LOL), the nonlinear lattice (NOL) can be used to control the mutual interaction between the two solitons. For a given lattice wave number k, the effective potentials in which the two solitons move are such that the well (V eff (NOL)), resulting from the juxtaposition of soliton interaction and nonlinear lattice potential, is deeper than the corresponding well V eff (LOL). But these effective potentials have opposite k dependence in the sense that the depth of V eff (LOL) increases as k increases and that of V eff (NOL) decreases for higher k values. We verify that the effectiveness of optical lattices to regulate the motion of the coupled solitons depends sensitively on the initial locations of the motionless solitons as well as values of the lattice wave number. For both LOL and NOL the two solitons meet each other due to mutual interaction if their initial locations are taken within the potential wells with the difference that the solitons in the NOL approach each other rather rapidly and take roughly half the time to meet as compared with the time needed for such coalescence in the LOL. In the NOL, the soliton profiles can move freely and respond to the lattice periodicity when the separation between their initial locations are as twice as that needed for a similar free movement in the LOL. We observe that, in both cases, slow tuning of the optical lattices by varying k with respect to a time parameter τ drags the oscillatory solitons apart to take them to different locations. In our potential model the oscillatory solitons appear to propagate undistorted. But a fully numerical calculation indicates that during

Design of the SPEAR 3 magnet lattice

International Nuclear Information System (INIS)

Corbett, J.; Limborg, C.; Nosochkov, Y.; Safranek, J.

1998-01-01

The SPEAR 3 Upgrade Project seeks to replace the present 160 nm-rad FODO lattice with an 18 nm-rad double bend achromat (DBA) lattice. The new lattice must conform to the layout of the SPEAR racetrack tunnel and service the existing photon beamlines. Working within these constraints, the authors designed a lattice with 18 achromatic cells and 3 GeV beam energy. This paper reports on design of the main DBA cells, design of the matching cells leading into the 6.5 m racetrack straights, and simulation of the dynamic aperture. The new lattice has gradient dipoles, conventional quadrupoles, and provides horizontal dynamic aperture to ± 20 mm with conservative magnetic multipole errors

Efficient LBM visual simulation on face-centered cubic lattices.

Science.gov (United States)

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.

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.)

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.)

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.)

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)

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...

Multispeed models in off-lattice Boltzmann simulations

NARCIS (Netherlands)

Bardow, A.; Karlin, I.V.; Gusev, A.A.

2008-01-01

The lattice Boltzmann method is a highly promising approach to the simulation of complex flows. Here, we realize recently proposed multispeed lattice Boltzmann models [S. Chikatamarla et al., Phys. Rev. Lett. 97 190601 (2006)] by exploiting the flexibility offered by off-lattice Boltzmann methods.

Lattice QCD: Status and Prospect

International Nuclear Information System (INIS)

Ukawa, Akira

2006-01-01

A brief review is given of the current status and near-future prospect of lattice QCD studies of the Standard Model. After summarizing a bit of history, we describe current attempts toward inclusion of dynamical up, down and strange quarks. Recent results on the light hadron mass spectrum as well as those on the heavy quark quantities are described. Recent work on lattice pentaquark search is summarized. We touch upon the PACS-CS Project for building our next machine for lattice QCD, and conclude with a summary of computer situation and the physics possibilities over the next several years

The growth of minicircle networks on regular lattices

International Nuclear Information System (INIS)

Diao, Y; Hinson, K; Arsuaga, J

2012-01-01

The mitochondrial DNA of trypanosomes is organized into a network of topologically linked minicircles. In order to investigate how key topological properties of the network change with minicircle density, the authors introduced, in an earlier study, a mathematical model in which randomly oriented minicircles were placed on the vertices of the simple square lattice. Using this model, the authors rigorously showed that when the density of minicircles increases, percolation clusters form. For higher densities, these percolation clusters are the backbones for networks of minicircles that saturate the entire lattice. An important relevant question is whether these findings are generally true. That is, whether these results are independent of the choice of the lattices on which the model is based. In this paper, we study two additional lattices (namely the honeycomb and the triangular lattices). These regular lattices are selected because they have been proposed for trypanosomes before and after replication. We compare our findings with our earlier results on the square lattice and show that the mathematical statements derived for the square lattice can be extended to these other lattices qualitatively. This finding suggests the universality of these properties. Furthermore, we performed a numerical study which provided data that are consistent with our theoretical analysis, and showed that the effect of the choice of lattices on the key network topological characteristics is rather small. (paper)

An integrable coupling family of Merola-Ragnisco-Tu lattice systems, its Hamiltonian structure and related nonisospectral integrable lattice family

Energy Technology Data Exchange (ETDEWEB)

Xu Xixiang, E-mail: xu_xixiang@hotmail.co [College of Science, Shandong University of Science and Technology, Qingdao, 266510 (China)

2010-01-04

An integrable coupling family of Merola-Ragnisco-Tu lattice systems is derived from a four-by-four matrix spectral problem. The Hamiltonian structure of the resulting integrable coupling family is established by the discrete variational identity. Each lattice system in the resulting integrable coupling family is proved to be integrable discrete Hamiltonian system in Liouville sense. Ultimately, a nonisospectral integrable lattice family associated with the resulting integrable lattice family is constructed through discrete zero curvature representation.

An integrable coupling family of Merola-Ragnisco-Tu lattice systems, its Hamiltonian structure and related nonisospectral integrable lattice family

International Nuclear Information System (INIS)

Xu Xixiang

2010-01-01

An integrable coupling family of Merola-Ragnisco-Tu lattice systems is derived from a four-by-four matrix spectral problem. The Hamiltonian structure of the resulting integrable coupling family is established by the discrete variational identity. Each lattice system in the resulting integrable coupling family is proved to be integrable discrete Hamiltonian system in Liouville sense. Ultimately, a nonisospectral integrable lattice family associated with the resulting integrable lattice family is constructed through discrete zero curvature representation.

Arbitrary spin fermions on the lattice

International Nuclear Information System (INIS)

Bullinaria, J.A.

1985-01-01

Lattice actions are constructed for free Dirac and Majorana fermions of arbitrary (half-integer) spin various extensions of the spin 1/2 Kogut-Susskind, Kaehler and Wilson formalisms. In each case, the spectrum degeneracy and preservation of gauge invariance is analysed, and the equivalence or non-equivalence to previously constructed actions is determined. The Kogut-Susskind and lattice Kaehler actions are then written explicitly in terms of spinors to demonstrate how the degenerate fermions couple on the lattice and how the original spinorial actions are recovered (or to recovered) in the continuum limit. Both degenerate and non-degenerate mass terms are dealt with and the various U(1) invariances of the lattice actions are pointed out

Cubic to tetragonal phase transition of Tm3+ doped nanocrystals in oxyfluoride glass ceramics

International Nuclear Information System (INIS)

Li, Yiming; Fu, Yuting; Shi, Yahui; Zhang, Xiaoyu; Yu, Hua; Zhao, Lijuan

2016-01-01

Tm 3+ ions doped β-PbF 2 nanocrystals in oxyfluoride glass ceramics with different doping concentrations and thermal temperatures are prepared by a traditional melt-quenching and thermal treatment method to investigate the structure and the phase transition of Tm 3+ doped nanocrystals. The structures are characterized by X-ray diffraction Rietveld analysis and confirmed with numerical simulation. The phase transitions are proved further by the emission spectra. Both of the doping concentration and thermal temperature can induce an O h to D 4h site symmetry distortion and a cubic to tetragonal phase transition. The luminescence of Tm 3+ doped nanocrystals at 800 nm was modulated by the phase transition of the surrounding crystal field

An Active Lattice Model in a Bayesian Framework

DEFF Research Database (Denmark)

Carstensen, Jens Michael

1996-01-01

A Markov Random Field is used as a structural model of a deformable rectangular lattice. When used as a template prior in a Bayesian framework this model is powerful for making inferences about lattice structures in images. The model assigns maximum probability to the perfect regular lattice...... by penalizing deviations in alignment and lattice node distance. The Markov random field represents prior knowledge about the lattice structure, and through an observation model that incorporates the visual appearance of the nodes, we can simulate realizations from the posterior distribution. A maximum...... a posteriori (MAP) estimate, found by simulated annealing, is used as the reconstructed lattice. The model was developed as a central part of an algorithm for automatic analylsis of genetic experiments, positioned in a lattice structure by a robot. The algorithm has been successfully applied to many images...

Thermodynamics of lattice QCD with 2 sextet quarks on Nt=8 lattices

International Nuclear Information System (INIS)

Kogut, J. B.; Sinclair, D. K.

2011-01-01

We continue our lattice simulations of QCD with 2 flavors of color-sextet quarks as a model for conformal or walking technicolor. A 2-loop perturbative calculation of the β function which describes the evolution of this theory's running coupling constant predicts that it has a second zero at a finite coupling. This nontrivial zero would be an infrared stable fixed point, in which case the theory with massless quarks would be a conformal field theory. However, if the interaction between quarks and antiquarks becomes strong enough that a chiral condensate forms before this IR fixed point is reached, the theory is QCD-like with spontaneously broken chiral symmetry and confinement. However, the presence of the nearby IR fixed point means that there is a range of couplings for which the running coupling evolves very slowly, i.e. it ''walks.'' We are simulating the lattice version of this theory with staggered quarks at finite temperature, studying the changes in couplings at the deconfinement and chiral-symmetry restoring transitions as the temporal extent (N t ) of the lattice, measured in lattice units, is increased. Our earlier results on lattices with N t =4, 6 show both transitions move to weaker couplings as N t increases consistent with walking behavior. In this paper we extend these calculations to N t =8. Although both transitions again move to weaker couplings, the change in the coupling at the chiral transition from N t =6 to N t =8 is appreciably smaller than that from N t =4 to N t =6. This indicates that at N t =4, 6 we are seeing strong-coupling effects and that we will need results from N t >8 to determine if the chiral-transition coupling approaches zero as N t →∞, as needed for the theory to walk.

Lattice calculation of nonleptonic charm decays

International Nuclear Information System (INIS)

Simone, J.N.

1991-11-01

The decays of charmed mesons into two body nonleptonic final states are investigated. Weak interaction amplitudes of interest in these decays are extracted from lattice four-point correlation functions using a effective weak Hamiltonian including effects to order G f in the weak interactions yet containing effects to all orders in the strong interactions. The lattice calculation allows a quantitative examination of non-spectator processes in charm decays helping to elucidate the role of effects such as color coherence, final state interactions and the importance of the so called weak annihilation process. For D → Kπ, we find that the non-spectator weak annihilation diagram is not small, and we interpret this as evidence for large final state interactions. Moreover, there is indications of a resonance in the isospin 1/2 channel to which the weak annihilation process contributes exclusively. Findings from the lattice calculation are compared to results from the continuum vacuum saturation approximation and amplitudes are examined within the framework of the 1/N expansion. Factorization and the vacuum saturation approximation are tested for lattice amplitudes by comparing amplitudes extracted from lattice four-point functions with the same amplitude extracted from products of two-point and three-point lattice correlation functions arising out of factorization and vacuum saturation

Thermal stability of simple tetragonal and hexagonal diamond germanium

Science.gov (United States)

Huston, L. Q.; Johnson, B. C.; Haberl, B.; Wong, S.; Williams, J. S.; Bradby, J. E.

2017-11-01

Exotic phases of germanium, that form under high pressure but persist under ambient conditions, are of technological interest due to their unique optical and electrical properties. The thermal evolution and stability of two of these exotic Ge phases, the simple tetragonal (st12) and hexagonal diamond (hd) phases, are investigated in detail. These metastable phases, formed by high pressure decompression in either a diamond anvil cell or by nanoindentation, are annealed at temperatures ranging from 280 to 320 °C for st12-Ge and 200 to 550 °C for hd-Ge. In both cases, the exotic phases originated from entirely pure Ge precursor materials. Raman microspectroscopy is used to monitor the phase changes ex situ following annealing. Our results show that hd-Ge synthesized via a pure form of a-Ge first undergoes a subtle change in structure and then an irreversible phase transformation to dc-Ge with an activation energy of (4.3 ± 0.2) eV at higher temperatures. St12-Ge was found to transform to dc-Ge with an activation energy of (1.44 ± 0.08) eV. Taken together with results from previous studies, this study allows for intriguing comparisons with silicon and suggests promising technological applications.

Disconnected Diagrams in Lattice QCD

Science.gov (United States)

Gambhir, Arjun Singh

In this work, we present state-of-the-art numerical methods and their applications for computing a particular class of observables using lattice quantum chromodynamics (Lattice QCD), a discretized version of the fundamental theory of quarks and gluons. These observables require calculating so called "disconnected diagrams" and are important for understanding many aspects of hadron structure, such as the strange content of the proton. We begin by introducing the reader to the key concepts of Lattice QCD and rigorously define the meaning of disconnected diagrams through an example of the Wick contractions of the nucleon. Subsequently, the calculation of observables requiring disconnected diagrams is posed as the computationally challenging problem of finding the trace of the inverse of an incredibly large, sparse matrix. This is followed by a brief primer of numerical sparse matrix techniques that overviews broadly used methods in Lattice QCD and builds the background for the novel algorithm presented in this work. We then introduce singular value deflation as a method to improve convergence of trace estimation and analyze its effects on matrices from a variety of fields, including chemical transport modeling, magnetohydrodynamics, and QCD. Finally, we apply this method to compute observables such as the strange axial charge of the proton and strange sigma terms in light nuclei. The work in this thesis is innovative for four reasons. First, we analyze the effects of deflation with a model that makes qualitative predictions about its effectiveness, taking only the singular value spectrum as input, and compare deflated variance with different types of trace estimator noise. Second, the synergy between probing methods and deflation is investigated both experimentally and theoretically. Third, we use the synergistic combination of deflation and a graph coloring algorithm known as hierarchical probing to conduct a lattice calculation of light disconnected matrix elements

Disconnected Diagrams in Lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Gambhir, Arjun [College of William and Mary, Williamsburg, VA (United States)

2017-08-01

In this work, we present state-of-the-art numerical methods and their applications for computing a particular class of observables using lattice quantum chromodynamics (Lattice QCD), a discretized version of the fundamental theory of quarks and gluons. These observables require calculating so called \\disconnected diagrams" and are important for understanding many aspects of hadron structure, such as the strange content of the proton. We begin by introducing the reader to the key concepts of Lattice QCD and rigorously define the meaning of disconnected diagrams through an example of the Wick contractions of the nucleon. Subsequently, the calculation of observables requiring disconnected diagrams is posed as the computationally challenging problem of finding the trace of the inverse of an incredibly large, sparse matrix. This is followed by a brief primer of numerical sparse matrix techniques that overviews broadly used methods in Lattice QCD and builds the background for the novel algorithm presented in this work. We then introduce singular value deflation as a method to improve convergence of trace estimation and analyze its effects on matrices from a variety of fields, including chemical transport modeling, magnetohydrodynamics, and QCD. Finally, we apply this method to compute observables such as the strange axial charge of the proton and strange sigma terms in light nuclei. The work in this thesis is innovative for four reasons. First, we analyze the effects of deflation with a model that makes qualitative predictions about its effectiveness, taking only the singular value spectrum as input, and compare deflated variance with different types of trace estimator noise. Second, the synergy between probing methods and deflation is investigated both experimentally and theoretically. Third, we use the synergistic combination of deflation and a graph coloring algorithm known as hierarchical probing to conduct a lattice calculation of light disconnected matrix elements

Remarks on lattice gauge models

International Nuclear Information System (INIS)

Grosse, H.

1981-01-01

The author reports a study of the phase structure of lattice gauge models where one takes as a gauge group a non-abelian discrete subgroup of SU(3). In addition he comments on a lattice action proposed recently by Manton and observes that it violates a positivity property. (Auth.)

Clar sextets in square graphene antidot lattices

DEFF Research Database (Denmark)

Petersen, Rene; Pedersen, Thomas Garm; Jauho, Antti-Pekka

2011-01-01

A periodic array of holes transforms graphene from a semimetal into a semiconductor with a band gap tuneable by varying the parameters of the lattice. In earlier work only hexagonal lattices have been treated. Using atomistic models we here investigate the size of the band gap of a square lattice...

Toda lattice field theories, discrete W algebras, Toda lattice hierarchies and quantum groups

International Nuclear Information System (INIS)

Bonora, L.; Colatto, L.P.; Constantinidis, C.P.

1996-05-01

In analogy with the Liouville case, we study the sl 3 Toda theory on the lattice and define the relevant quadratic algebra and out of it we recover the discrete W 3 algebra. We define an integrable system with respect to the latter and establish the relation with the Toda lattice hierarchy. We compute the relevant continuum limits. Finally we find the quantum version of the quadratic algebra. (author). 16 refs

A quantum-chemical study of oxygen-vacancy defects in PbTiO{sub 3} crystals

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids [Laboratorio de Fisica, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)]. E-mail: arvids@utpl.edu.ec; Serrano, Sheyla [Centro de Investigacion en Fisica de Materia Condensada, Corporacion de Fisica Fundamental y Aplicada, Apartado 17-12-637, Quito (Ecuador); Escuela de Ingenierias, Universidad Politecnica Salesiana, Campus Sur, Rumichaca s/n y Moran Valverde, Apartado 17-12-536, Quito (Ecuador); Medina, Paul [Centro de Investigacion en Fisica de Materia Condensada, Corporacion de Fisica Fundamental y Aplicada, Apartado 17-12-637, Quito (Ecuador)

2006-05-31

Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO{sub 3} crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results.

Polarization response of RHIC electron lens lattices

Directory of Open Access Journals (Sweden)

V. H. Ranjbar

2016-10-01

Full Text Available Depolarization response for a system of two orthogonal snakes at irrational tunes is studied in depth using lattice independent spin integration. In particular we consider the effect of overlapping spin resonances in this system, to understand the impact of phase, tune, relative location and threshold strengths of the spin resonances. These results are benchmarked and compared to two dimensional direct tracking results for the RHIC e-lens lattice and the standard lattice. Finally we consider the effect of longitudinal motion via chromatic scans using direct six dimensional lattice tracking.

Advancements in simulations of lattice quantum chromodynamics

International Nuclear Information System (INIS)

Lippert, T.

2008-01-01

An introduction to lattice QCD with emphasis on advanced fermion formulations and their simulation is given. In particular, overlap fermions will be presented, a quite novel fermionic discretization scheme that is able to exactly preserve chiral symmetry on the lattice. I will discuss efficiencies of state-of-the-art algorithms on highly scalable supercomputers and I will show that, due to many algorithmic improvements, overlap simulations will soon become feasible for realistic physical lattice sizes. Finally I am going to sketch the status of some current large scale lattice QCD simulations. (author)

Polarization response of RHIC electron lens lattices

International Nuclear Information System (INIS)

Ranjbar, V. H.; Méot, F.; Bai, M.; Abell, D. T.; Meiser, D.

2016-01-01

Depolarization response for a system of two orthogonal snakes at irrational tunes is studied in depth using lattice independent spin integration. Particularly, we consider the effect of overlapping spin resonances in this system, to understand the impact of phase, tune, relative location and threshold strengths of the spin resonances. Furthermore, these results are benchmarked and compared to two dimensional direct tracking results for the RHIC e-lens lattice and the standard lattice. We then consider the effect of longitudinal motion via chromatic scans using direct six dimensional lattice tracking.

Remarks on lattice gauge models

International Nuclear Information System (INIS)

Grosse, H.

1981-01-01

The author reports on a study of the phase structure of lattice gauge models where one takes as a gauge group a non-abelian discrete subgroup of SU(3). In addition he comments on a lattice action proposed recently by Manton (1980) and observes that it violates a positivity property. (Auth.)

Lattice Automata for Control of Self-Reconfigurable Robots

DEFF Research Database (Denmark)

Støy, Kasper

2015-01-01

are extreme versatility and robustness. The organisation of self-reconfigurable robots in a lattice structure and the emphasis on local communication between modules mean that lattice automata are a useful basis for control of self-reconfigurable robots. However, there are significant differences which arise...... mainly from the physical nature of self-reconfigurable robots as opposed to the virtual nature of lattice automata. The problems resulting from these differences are mutual exclusion, handling motion constraints of modules, and unrealistic assumption about global, spatial orientation. Despite...... these problems the self-reconfigurable robot community has successfully applied lattice automata to simple control problems. However, for more complex problems hybrid solutions based on lattice automata and distributed algorithms are used. Hence, lattice automata have shown to have potential for the control...

Locally Sensitive Lattice-Valued Possibilistic Entropy Functions

Czech Academy of Sciences Publication Activity Database

Kramosil, Ivan

2008-01-01

Roč. 18, č. 6 (2008), s. 469-488 ISSN 1210-0552 R&D Projects: GA AV ČR IAA100300503 Institutional research plan: CEZ:AV0Z10300504 Keywords : complete lattice * chained lattice * lattice-valued possibilistic distribution * possibilistic expected value Subject RIV: BA - General Mathematics Impact factor: 0.395, year: 2008

Dependence of e31,f on polar axis texture for tetragonal Pb(Zrx,Ti1-x)O3 thin films

Science.gov (United States)

Yeager, Charles B.; Ehara, Yoshitaka; Oshima, Naoya; Funakubo, Hiroshi; Trolier-McKinstry, Susan

2014-09-01

It was shown by Ouyang et al. [Appl. Phys. Lett. 86, 152901 (2005)] that the piezoelectric e31,f coefficient is largest parallel to the spontaneous polarization in tetragonal PbZrxTi1-xO3 (PZT) films. However, the expected piezoelectric data are typically calculated from phenomenological constants derived from data on ceramic PZT. In this work, the dependence of e31,f on c-axis texture fraction, f001, for {001}PZT thin films was measured by growing films with systematically changed f001 using CaF2, MgO, SrTiO3, and Si substrates. An approximately linear increase in e31,f with f001 was observed for compositions up to 43 mol. % Zr, and 100% c-domain properties were extrapolated. It was demonstrated that c-axis PZT films can achieve e31,f exceeding -12 C/m2 for many tetragonal compositions. The energy harvesting figure of merit, e31,f2/ɛr, for c-axis PZT films surpassed 0.8 C2/m4. This is larger than the figure of merit of gradient-free PZT films grown on Si substrates by a factor of four.

Interstructure Lattices and Types of Peano Arithmetic

Science.gov (United States)

Abdul-Quader, Athar

The collection of elementary substructures of a model of PA forms a lattice, and is referred to as the substructure lattice of the model. In this thesis, we study substructure and interstructure lattices of models of PA. We apply techniques used in studying these lattices to other problems in the model theory of PA. In Chapter 2, we study a problem that had its origin in Simpson ([Sim74]), who used arithmetic forcing to show that every countable model of PA has an expansion to PA* that is pointwise definable. Enayat ([Ena88]) later showed that there are 2N0 models with the property that every expansion to PA* is pointwise definable. In this Chapter, we use techniques involved in representations of lattices to show that there is a model of PA with this property which contains an infinite descending chain of elementary cuts. In Chapter 3, we study the question of when subsets can be coded in elementary end extensions with prescribed interstructure lattices. This problem originated in Gaifman [Gai76], who showed that every model of PA has a conservative, minimal elementary end extension. That is, every model of PA has a minimal elementary end extension which codes only definable sets. Kossak and Paris [KP92] showed that if a model is countable and a subset X can be coded in any elementary end extension, then it can be coded in a minimal extension. Schmerl ([Sch14] and [Sch15]) extended this work by considering which collections of sets can be the sets coded in a minimal elementary end extension. In this Chapter, we extend this work to other lattices. We study two questions: given a countable model M, which sets can be coded in an elementary end extension such that the interstructure lattice is some prescribed finite distributive lattice; and, given an arbitrary model M, which sets can be coded in an elementary end extension whose interstructure lattice is a finite Boolean algebra?

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

Light Hadron Spectroscopy on course lattices with

CERN Document Server

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-Valued Possibilistic Entropy Measure

Czech Academy of Sciences Publication Activity Database

Kramosil, Ivan

2008-01-01

Roč. 16, č. 6 (2008), s. 829-846 ISSN 0218-4885 R&D Projects: GA AV ČR IAA100300503 Institutional research plan: CEZ:AV0Z10300504 Keywords : complete lattice * lattice-valued possibilistic distribution * entropy measure * product of possibilistic distribution Subject RIV: BA - General Mathematics Impact factor: 1.000, year: 2008

SSC lattice database and graphical interface

International Nuclear Information System (INIS)

Trahern, C.G.; Zhou, J.

1991-11-01

When completed the Superconducting Super Collider will be the world's largest accelerator complex. In order to build this system on schedule, the use of database technologies will be essential. In this paper we discuss one of the database efforts underway at the SSC, the lattice database. The SSC lattice database provides a centralized source for the design of each major component of the accelerator complex. This includes the two collider rings, the High Energy Booster, Medium Energy Booster, Low Energy Booster, and the LINAC as well as transfer and test beam lines. These designs have been created using a menagerie of programs such as SYNCH, DIMAD, MAD, TRANSPORT, MAGIC, TRACE3D AND TEAPOT. However, once a design has been completed, it is entered into a uniform database schema in the database system. In this paper we discuss the reasons for creating the lattice database and its implementation via the commercial database system SYBASE. Each lattice in the lattice database is composed of a set of tables whose data structure can describe any of the SSC accelerator lattices. In order to allow the user community access to the databases, a programmatic interface known as dbsf (for database to several formats) has been written. Dbsf creates ascii input files appropriate to the above mentioned accelerator design programs. In addition it has a binary dataset output using the Self Describing Standard data discipline provided with the Integrated Scientific Tool Kit software tools. Finally we discuss the graphical interfaces to the lattice database. The primary interface, known as OZ, is a simulation environment as well as a database browser

Three-wave electron vortex lattices for measuring nanofields.

Science.gov (United States)

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.

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.

Nucleon structure from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Dinter, Simon

2012-11-13

In this thesis we compute within lattice QCD observables related to the structure of the nucleon. One part of this thesis is concerned with moments of parton distribution functions (PDFs). Those moments are essential elements for the understanding of nucleon structure and can be extracted from a global analysis of deep inelastic scattering experiments. On the theoretical side they can be computed non-perturbatively by means of lattice QCD. However, since the time lattice calculations of moments of PDFs are available, there is a tension between these lattice calculations and the results from a global analysis of experimental data. We examine whether systematic effects are responsible for this tension, and study particularly intensively the effects of excited states by a dedicated high precision computation. Moreover, we carry out a first computation with four dynamical flavors. Another aspect of this thesis is a feasibility study of a lattice QCD computation of the scalar quark content of the nucleon, which is an important element in the cross-section of a heavy particle with the nucleon mediated by a scalar particle (e.g. Higgs particle) and can therefore have an impact on Dark Matter searches. Existing lattice QCD calculations of this quantity usually have a large error and thus a low significance for phenomenological applications. We use a variance-reduction technique for quark-disconnected diagrams to obtain a precise result. Furthermore, we introduce a new stochastic method for the calculation of connected 3-point correlation functions, which are needed to compute nucleon structure observables, as an alternative to the usual sequential propagator method. In an explorative study we check whether this new method is competitive to the standard one. We use Wilson twisted mass fermions at maximal twist in all our calculations, such that all observables considered here have only O(a{sup 2}) discretization effects.

Nucleon structure from lattice QCD

International Nuclear Information System (INIS)

Dinter, Simon

2012-01-01

In this thesis we compute within lattice QCD observables related to the structure of the nucleon. One part of this thesis is concerned with moments of parton distribution functions (PDFs). Those moments are essential elements for the understanding of nucleon structure and can be extracted from a global analysis of deep inelastic scattering experiments. On the theoretical side they can be computed non-perturbatively by means of lattice QCD. However, since the time lattice calculations of moments of PDFs are available, there is a tension between these lattice calculations and the results from a global analysis of experimental data. We examine whether systematic effects are responsible for this tension, and study particularly intensively the effects of excited states by a dedicated high precision computation. Moreover, we carry out a first computation with four dynamical flavors. Another aspect of this thesis is a feasibility study of a lattice QCD computation of the scalar quark content of the nucleon, which is an important element in the cross-section of a heavy particle with the nucleon mediated by a scalar particle (e.g. Higgs particle) and can therefore have an impact on Dark Matter searches. Existing lattice QCD calculations of this quantity usually have a large error and thus a low significance for phenomenological applications. We use a variance-reduction technique for quark-disconnected diagrams to obtain a precise result. Furthermore, we introduce a new stochastic method for the calculation of connected 3-point correlation functions, which are needed to compute nucleon structure observables, as an alternative to the usual sequential propagator method. In an explorative study we check whether this new method is competitive to the standard one. We use Wilson twisted mass fermions at maximal twist in all our calculations, such that all observables considered here have only O(a 2 ) discretization effects.

Flavor extrapolation in lattice QCD

International Nuclear Information System (INIS)

Duffy, W.C.

1984-01-01

Explicit calculation of the effect of virtual quark-antiquark pairs in lattice QCD has eluded researchers. To include their effect explicitly one must calculate the determinant of the fermion-fermion coupling matrix. Owing to the large number of sites in a continuum limit size lattice, direct evaluation of this term requires an unrealistic amount of computer time. The effect of the virtual pairs can be approximated by ignoring this term and adjusting lattice couplings to reproduce experimental results. This procedure is called the valence approximation since it ignores all but the minimal number of quarks needed to describe hadrons. In this work the effect of the quark-antiquark pairs has been incorporated in a theory with an effective negative number of quark flavors contributing to the closed loops. Various particle masses and decay constants have been calculated for this theory and for one with no virtual pairs. The author attempts to extrapolate results towards positive numbers of quark flavors. The results show approximate agreement with experimental measurements and demonstrate the smoothness of lattice expectations in the number of quark flavors

Synthesis of spatially variant lattices.

Science.gov (United States)

Rumpf, Raymond C; Pazos, Javier

2012-07-02

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

Evolution of tetragonal phase of ZrO2 in the corrosion of Zry-4 and Zr-2.5Nb at high pressure and temperature

International Nuclear Information System (INIS)

Bordoni, Roberto A.; Olmedo, Ana M.; Villegas, Marina; Maroto, Alberto J. G.; Lin, J.; Szpunar, J. A.

1999-01-01

The corrosion kinetics of Zr-2.5 Nb and Zircaloy-4 was studied at 350 C degrees in lithiated heavy water. The oxides grown on both alloys during the exposures were found to be strongly textured. The pole figures showed that the major orientation components of the oxide formed on Zr-2.5 Nb were (10-3) [0-10] and (10-3)[301] while (10-3) fiber was formed on Zircaloy-4. No significant change in texture was found in either alloy when increasing the thickness of the oxide film. The phases present in the film were determined and their evolution with the exposure time was followed. The results indicated that the tetragonal volume fraction decreased with increasing the thickness of the oxide layers of both materials. The tetragonal volume fraction of Zircaloy-4 was higher than that of Zr-2.5 Nb for the same oxide thickness. (author)

Retention at room temperature of the tetragonal t''-form in Sc{sub 2}O{sub 3}-doped ZrO{sub 2} nanopowders

Energy Technology Data Exchange (ETDEWEB)

Abdala, Paula M., E-mail: pabdala@citefa.gov.a [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Lamas, Diego G. [CINSO (Centro de Investigaciones en Solidos), CITEFA-CONICET, J.B. de La Salle 4397, 1603 Villa Martelli, Pcia. de Buenos Aires (Argentina); Fantini, Marcia C.A.; Craievich, Aldo F. [Instituto de Fisica, FAP, USP, Travessa R da Rua do Matao, No. 187, Cidade Universitaria, 05508-900 Sao Paulo (Brazil)

2010-04-16

Synchrotron X-ray powder diffraction was applied to the study of the effect of crystallite size on the crystal structure of ZrO{sub 2}-10 mol% Sc{sub 2}O{sub 3} nanopowders synthesized by a nitrate-lysine gel-combustion route. Nanopowders with different average crystallite sizes were obtained by calcination at several temperatures, ranging from 650 to 1200 {sup o}C. The metastable t''-form of the tetragonal phase, exhibiting a cubic unit cell and tetragonal P4{sub 2}/nmc spatial symmetry, was retained at room temperature in fine nanocrystalline powders, completely avoiding the presence of the stable rhombohedral {beta} phase. Differently, this phase was identified in samples calcined at high temperatures and its content increased with increasing crystallite size. The critical maximum crystallite size for the retention of the mestastable t''-form resulted of about 35 nm.

Defect model of a tetragonal Sm sup 3 sup + center found from EPR measurements in CaF sub 2 and SrF sub 2 crystals

CERN Document Server

Zheng Wen Chen; Wu Shao Yi; Tang Sheng

2003-01-01

The EPR parameters (g factors g sub p sub a sub r sub a sub l sub l sub e sub l , g sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r sub t sub o and hyperfine structure constants A sub p sub a sub r sub a sub l sub l sub e sub l , A sub p sub e sub r sub p sub e sub n sub d sub i sub c sub u sub l sub a sub r sub t sub o) of a tetragonal (C sub 4 sub v) Sm sup 3 sup + center in CaF sub 2 and SrF sub 2 crystals are calculated by considering the crystal-field J-mixing among the ground sup 6 H sub 5 sub / sub 2 , the first excited sup 6 H sub 7 sub / sub 2 and second excited sup 6 H sub 9 sub / sub 2 state multiplets. In the calculations the free-ion and crystal-field parameters of the tetragonal Sm sup 3 sup + -F sup - center obtained from polarized laser-selective excitation spectroscopy are used. The calculated results suggest that the tetragonal Sm sup 3 sup + -F sup - center is the Sm sup 3 sup + center found by later EPR measurements. The g factors g sub p sub a sub r sub a sub...

A lattice approach to spinorial quantum gravity

Science.gov (United States)

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.

Vortex-Peierls States in Optical Lattices

International Nuclear Information System (INIS)

Burkov, A.A.; Demler, Eugene

2006-01-01

We show that vortices, induced in cold atom superfluids in optical lattices, may order in a novel vortex-Peierls ground state. In such a state vortices do not form a simple lattice but arrange themselves in clusters, within which the vortices are partially delocalized, tunneling between classically degenerate configurations. We demonstrate that this exotic quantum many-body state is selected by an order-from-disorder mechanism for a special combination of the vortex filling and lattice geometry that has a macroscopic number of classically degenerate ground states

The η' meson from lattice QCD

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.)

Lattice polytopes in coding theory

Directory of Open Access Journals (Sweden)

Ivan Soprunov

2015-05-01

Full Text Available In this paper we discuss combinatorial questions about lattice polytopes motivated by recent results on minimum distance estimation for toric codes. We also include a new inductive bound for the minimum distance of generalized toric codes. As an application, we give new formulas for the minimum distance of generalized toric codes for special lattice point configurations.

Homogenization theory in reactor lattices

International Nuclear Information System (INIS)

Benoist, P.

1986-02-01

The purpose of the theory of homogenization of reactor lattices is to determine, by the mean of transport theory, the constants of a homogeneous medium equivalent to a given lattice, which allows to treat the reactor as a whole by diffusion theory. In this note, the problem is presented by laying emphasis on simplicity, as far as possible [fr

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

The coupled cluster theory of quantum lattice systems

International Nuclear Information System (INIS)

Bishop, R.; Xian, Yang

1994-01-01

The coupled cluster method is widely recognized nowadays as providing an ab initio method of great versatility, power, and accuracy for handling in a fully microscopic and systematic way the correlations between particles in quantum many-body systems. The number of successful applications made to date within both chemistry and physics is impressive. In this article, the authors review recent extensions of the method which now provide a unifying framework for also dealing with strongly interacting infinite quantum lattice systems described by a Hamiltonian. Such systems include both spin-lattice models (such as the anisotropic Heisenberg or XXZ model) exhibiting interesting magnetic properties, and electron lattice models (such as the tJ and Hubbard models), where the spins or fermions are localized on the sites of a regular lattice; as well as lattice gauge theories [such as the Abelian U(1) model of quantum electrodynamics and non-Abelian SU(n) models]. Illustrative results are given for both the XXZ spin lattice model and U(1) lattice gauge theory

Relationships between lattice energies of inorganic ionic solids

Science.gov (United States)

Kaya, Savaş

2018-06-01

Lattice energy, which is a measure of the stabilities of inorganic ionic solids, is the energy required to decompose a solid into its constituent independent gaseous ions. In the present work, the relationships between lattice energies of many diatomic and triatomic inorganic ionic solids are revealed and a simple rule that can be used for the prediction of the lattice energies of inorganic ionic solids is introduced. According to this rule, the lattice energy of an AB molecule can be predicted with the help of the lattice energies of AX, BY and XY molecules in agreement with the experimental data. This rule is valid for not only diatomic molecules but also triatomic molecules. The lattice energy equations proposed in this rule provides compatible results with previously published lattice energy equations by Jenkins, Kaya, Born-Lande, Born-Mayer, Kapustinskii and Reddy. For a large set of tested molecules, calculated percent standard deviation values considering experimental data and the results of the equations proposed in this work are in general between %1-2%.

Bulk diffusion in a kinetically constrained lattice gas

Science.gov (United States)

Arita, Chikashi; Krapivsky, P. L.; Mallick, Kirone

2018-03-01

In the hydrodynamic regime, the evolution of a stochastic lattice gas with symmetric hopping rules is described by a diffusion equation with density-dependent diffusion coefficient encapsulating all microscopic details of the dynamics. This diffusion coefficient is, in principle, determined by a Green-Kubo formula. In practice, even when the equilibrium properties of a lattice gas are analytically known, the diffusion coefficient cannot be computed except when a lattice gas additionally satisfies the gradient condition. We develop a procedure to systematically obtain analytical approximations for the diffusion coefficient for non-gradient lattice gases with known equilibrium. The method relies on a variational formula found by Varadhan and Spohn which is a version of the Green-Kubo formula particularly suitable for diffusive lattice gases. Restricting the variational formula to finite-dimensional sub-spaces allows one to perform the minimization and gives upper bounds for the diffusion coefficient. We apply this approach to a kinetically constrained non-gradient lattice gas in two dimensions, viz. to the Kob-Andersen model on the square lattice.

Protocol of thermal treatments for the recovery of tetragonal phase in infrastructures of dental prostheses base of ZrO_2 (3-Y_2O_3) mills in CAD / CAM systems or panthories

International Nuclear Information System (INIS)

Simba, B.G.; Ferreira, B.; Santos, C.

2011-01-01

ZrO_2(3%Y_2O_3) bioceramics are used as dental materials mainly as prosthesis components, because present high mechanical properties and translucence. The use of CAD/CAM machining technique needs final grinding which promotes tetragonal monoclinic transformation reducing the reliability of this ceramic. In this work, ZrO_2(3%Y_2O_3) ceramics were sintered at 1450-0h, 1530-2h or 1600-4h and characterized. Different heat-treatment (400-1200 deg C) are proposed aiming the recuperation of the tetragonal crystalline phase. (author)

Wear behavior of tetragonal zirconia polycrystal versus titanium and titanium alloy

International Nuclear Information System (INIS)

Kanbara, Tsunemichi; Yajima, Yasutomo; Yoshinari, Masao

2011-01-01

The aim of this study was to clarify the influence of tetragonal zirconia polycrystal (TZP) on the two-body wear behavior of titanium (Ti). Two-body wear tests were performed using TZP, two grades of cp-Ti or Ti alloy in distilled water, and the cross-sectional area of worn surfaces was measured to evaluate the wear behavior. In addition, the surface hardness and coefficient of friction were determined and an electron probe microanalysis performed to investigate the underlying mechanism of wear. The hardness of TZP was much greater than that of Ti. The coefficient of friction between Ti and Ti showed a higher value than the Ti/TZP combination. Ti was more susceptible to wear by both TZP and Ti than TZP, indicating that the mechanism of wear between TZP and Ti was abrasive wear, whereas that between Ti and Ti was adhesive wear. No remarkable difference in the amount of wear in Ti was observed between TZP and Ti as the opposite material, despite the hardness value of Ti being much smaller than that of TZP. (communication)

On techniques of ATR lattice computation

International Nuclear Information System (INIS)

1997-08-01

Lattice computation is to compute the average nuclear constants of unit fuel lattice which are required for computing core nuclear characteristics such as core power distribution and reactivity characteristics. The main nuclear constants are infinite multiplying rate, neutron movement area, cross section for diffusion computation, local power distribution and isotope composition. As for the lattice computation code, WIMS-ATR is used, which is based on the WIMS-D code developed in U.K., and for the purpose of heightening the accuracy of analysis, which was improved by adding heavy water scattering cross section considering the temperature dependence by Honeck model. For the computation of the neutron absorption by control rods, LOIEL BLUE code is used. The extrapolation distance of neutron flux on control rod surfaces is computed by using THERMOS and DTF codes, and the lattice constants of adjoining lattices are computed by using the WIMS-ATR code. As for the WIMS-ATR code, the computation flow and nuclear data library, and as for the LOIEL BLUE code, the computation flow are explained. The local power distribution in fuel assemblies determined by the WIMS-ATR code was verified with the measured data, and the results are reported. (K.I.)

Full CKM matrix with lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Okamoto, Masataka; /Fermilab

2004-12-01

The authors show that it is now possible to fully determine the CKM matrix, for the first time, using lattice QCD. |V{sub cd}|, |V{sub cs}|, |V{sub ub}|, |V{sub cb}| and |V{sub us}| are, respectively, directly determined with the lattice results for form factors of semileptonic D {yields} {pi}lv, D {yields} Klv, B {yields} {pi}lv, B {yields} Dlv and K {yields} {pi}lv decays. The error from the quenched approximation is removed by using the MILC unquenced lattice gauge configurations, where the effect of u, d and s quarks is included. The error from the ''chiral'' extrapolation (m{sub l} {yields} m{sub ud}) is greatly reduced by using improved staggered quarks. The accuracy is comparable to that of the Particle Data Group averages. In addition, |V{sub ud}|, |V{sub ts}|, |V{sub ts}| and |V{sub td}| are determined by using unitarity of the CKM matrix and the experimental result for sin (2{beta}). In this way, they obtain all 9 CKM matrix elements, where the only theoretical input is lattice QCD. They also obtain all the Wolfenstein parameters, for the first time, using lattice QCD.

Topology optimization and lattice Boltzmann methods

DEFF Research Database (Denmark)

Nørgaard, Sebastian Arlund

This thesis demonstrates the application of the lattice Boltzmann method for topology optimization problems. Specifically, the focus is on problems in which time-dependent flow dynamics have significant impact on the performance of the devices to be optimized. The thesis introduces new topology...... a discrete adjoint approach. To handle the complexity of the discrete adjoint approach more easily, a method for computing it based on automatic differentiation is introduced, which can be adapted to any lattice Boltzmann type method. For example, while it is derived in the context of an isothermal lattice...... Boltzmann model, it is shown that the method can be easily extended to a thermal model as well. Finally, the predicted behavior of an optimized design is compared to the equiva-lent prediction from a commercial finite element solver. It is found that the weakly compressible nature of the lattice Boltzmann...

Bidirectional Fano Algorithm for Lattice Coded MIMO Channels

KAUST Repository

Al-Quwaiee, Hessa

2013-01-01

channel model. Channel codes based on lattices are preferred due to three facts: lattice codes have simple structure, the code can achieve the limits of the channel, and they can be decoded efficiently using lattice decoders which can be considered

Characterization of a Diamond Ground Y-TZP and Reversion of the Tetragonal to Monoclinic Transformation.

Science.gov (United States)

Candido, L M; Fais, Lmg; Ferreira, E B; Antonio, S G; Pinelli, Lap

To characterize the surface of an yttria-stabilized zirconia (Y-TZP) ceramic after diamond grinding in terms of its crystalline phase, morphology, mean roughness (Ra), and wettability as well as to determine a thermal treatment to reverse the resulting tetragonal to monoclinic (t-m) transformation. Y-TZP specimens were distributed into different groups according to the actions (or no action) of grinding and irrigation. Grinding was accomplished using a diamond stone at a low speed. The samples were characterized by x-ray diffraction (XRD), scanning electron microscopy, goniometry, and profilometry. In situ high-temperature XRD was used to determine an annealing temperature to reverse the t-m transformation. Ra was submitted to the Kruskal-Wallis test, followed by the Dunn test (α=0.05). The volume fraction of the monoclinic phase and contact angle were submitted to one-way analysis of variance, followed by the Tukey test (α=0.05). Monoclinic zirconia was observed on the surface of samples after dry and wet grinding with a diamond stone. The volume fraction of the monoclinic phase was smaller on the dry ground samples (3.6%±0.3%) than on the wet ground samples (5.6%±0.3%). High-temperature XRD showed reversion of the t-m phase transformation, which started at 700°C and completed at 800°C in a conventional oven. Grinding with a diamond stone partially transformed the crystalline phase on the surface of a Y-TZP ceramic from tetragonal to monoclinic zirconia while simultaneously increasing the surface roughness and wettability. The t-m transformation could be reversed by heat treatment at 800°C or 900°C for 60 minutes or 1000°C for 30 minutes.

Lattice solitons in Bose-Einstein condensates

International Nuclear Information System (INIS)

Efremidis, Nikolaos K.; Christodoulides, Demetrios N.

2003-01-01

We systematically study the properties of lattice solitons in Bose-Einstein condensates with either attractive or repulsive atom interactions. This is done, by exactly solving the mean-field Gross-Pitaevskii equation in the presence of a periodic potential. We find new families of lattice soliton solutions that are characterized by the position of the energy eigenvalue within the associated band structure. These include lattice solitons in condensates with either attractive or repulsive atom interactions that exist in finite or semi-infinite gaps, as well as nonlinear modes that exhibit atomic population cutoffs

Optical lattice on an atom chip

DEFF Research Database (Denmark)

Gallego, D.; Hofferberth, S.; Schumm, Thorsten

2009-01-01

Optical dipole traps and atom chips are two very powerful tools for the quantum manipulation of neutral atoms. We demonstrate that both methods can be combined by creating an optical lattice potential on an atom chip. A red-detuned laser beam is retroreflected using the atom chip surface as a high......-quality mirror, generating a vertical array of purely optical oblate traps. We transfer thermal atoms from the chip into the lattice and observe cooling into the two-dimensional regime. Using a chip-generated Bose-Einstein condensate, we demonstrate coherent Bloch oscillations in the lattice....

How to Share a Lattice Trapdoor

DEFF Research Database (Denmark)

Bendlin, Rikke; Peikert, Chris; Krehbiel, Sara

2013-01-01

We develop secure threshold protocols for two important operations in lattice cryptography, namely, generating a hard lattice Λ together with a "strong" trapdoor, and sampling from a discrete Gaussian distribution over a desired coset of Λ using the trapdoor. These are the central operations...... delegation, which is used in lattice-based hierarchical IBE schemes. Our work therefore directly transfers all these systems to the threshold setting. Our protocols provide information-theoretic (i.e., statistical) security against adaptive corruptions in the UC framework, and they are robust against up to ℓ...

Electronic properties of graphene antidot lattices

DEFF Research Database (Denmark)

Fürst, Joachim Alexander; Pedersen, Jesper Goor; Flindt, C.

2009-01-01

Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes that causes a band gap to open up around the Fermi level, turning graphene from a semimetal...... into a semiconductor. We calculate the electronic band structure of graphene antidot lattices using three numerical approaches with different levels of computational complexity, efficiency and accuracy. Fast finite-element solutions of the Dirac equation capture qualitative features of the band structure, while full...

Synthetic magnetic fluxes on the honeycomb lattice

Energy Technology Data Exchange (ETDEWEB)

Gorecka, Agnieszka [Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543 (Singapore); Gremaud, Benoit [Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543 (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Laboratoire Kastler Brossel, Ecole Normale Superieure, CNRS, UPMC, 4 Place Jussieu, FR-75005 Paris (France); Miniatura, Christian [Centre for Quantum Technologies, National University of Singapore, 3 Science Drive 2, Singapore 117543 (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Institut Non Lineaire de Nice, UMR 6618, UNS, CNRS, 1361 Route des Lucioles, FR-06560 Valbonne (France); Institute of Advanced Studies, Nanyang Technological university, 60 Nanyang View, Singapore 639673 (Singapore)

2011-08-15

We devise experimental schemes that are able to mimic uniform and staggered magnetic fluxes acting on ultracold two-electron atoms, such as ytterbium atoms, propagating in a honeycomb lattice. The atoms are first trapped into two independent state-selective triangular lattices and then further exposed to a suitable configuration of resonant Raman laser beams. These beams induce hops between the two triangular lattices and make atoms move in a honeycomb lattice. Atoms traveling around each unit cell of this honeycomb lattice pick up a nonzero phase. In the uniform case, the artificial magnetic flux sustained by each cell can reach about two flux quanta, thereby realizing a cold-atom analog of the Harper model with its notorious Hofstadter's butterfly structure. Different condensed-matter phenomena such as the relativistic integer and fractional quantum Hall effects, as observed in graphene samples, could be targeted with this scheme.

Robots and lattice automata

CERN Document Server

Adamatzky, Andrew

2015-01-01

The book gives a comprehensive overview of the state-of-the-art research and engineering in theory and application of Lattice Automata in design and control of autonomous Robots. Automata and robots share the same notional meaning. Automata (originated from the latinization of the Greek word “αυτόματον”) as self-operating autonomous machines invented from ancient years can be easily considered the first steps of robotic-like efforts. Automata are mathematical models of Robots and also they are integral parts of robotic control systems. A Lattice Automaton is a regular array or a collective of finite state machines, or automata. The Automata update their states by the same rules depending on states of their immediate neighbours. In the context of this book, Lattice Automata are used in developing modular reconfigurable robotic systems, path planning and map exploration for robots, as robot controllers, synchronisation of robot collectives, robot vision, parallel robotic actuators. All chapters are...

Stable tetragonal phase and magnetic properties of Fe-doped HfO2 nanoparticles

Science.gov (United States)

Sales, T. S. N.; Cavalcante, F. H. M.; Bosch-Santos, B.; Pereira, L. F. D.; Cabrera-Pasca, G. A.; Freitas, R. S.; Saxena, R. N.; Carbonari, A. W.

2017-05-01

In this paper, the effect in structural and magnetic properties of iron doping with concentration of 20% in hafnium dioxide (HfO2) nanoparticles is investigated. HfO2 is a wide band gap oxide with great potential to be used as high-permittivity gate dielectrics, which can be improved by doping. Nanoparticle samples were prepared by sol-gel chemical method and had their structure, morphology, and magnetic properties, respectively, investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM) with electron back scattering diffraction (EBSD), and magnetization measurements. TEM and SEM results show size distribution of particles in the range from 30 nm to 40 nm with small dispersion. Magnetization measurements show the blocking temperature at around 90 K with a strong paramagnetic contribution. XRD results show a major tetragonal phase (94%).

Stable tetragonal phase and magnetic properties of Fe-doped HfO2 nanoparticles

Directory of Open Access Journals (Sweden)

T. S. N. Sales

2017-05-01

Full Text Available In this paper, the effect in structural and magnetic properties of iron doping with concentration of 20% in hafnium dioxide (HfO2 nanoparticles is investigated. HfO2 is a wide band gap oxide with great potential to be used as high-permittivity gate dielectrics, which can be improved by doping. Nanoparticle samples were prepared by sol-gel chemical method and had their structure, morphology, and magnetic properties, respectively, investigated by X-ray diffraction (XRD, transmission electron microscopy (TEM and scanning electron microscopy (SEM with electron back scattering diffraction (EBSD, and magnetization measurements. TEM and SEM results show size distribution of particles in the range from 30 nm to 40 nm with small dispersion. Magnetization measurements show the blocking temperature at around 90 K with a strong paramagnetic contribution. XRD results show a major tetragonal phase (94%.

ions (RE = La, Pr, Nd, Sm, Gd and Dy)

Indian Academy of Sciences (India)

) zirconia), tendency of phase transformation (tetragonal to monoclinic () zirconia) and lattice strain were studied with mechanical property e.g. tensile strength of sol–gel derived ZrO2–2 mol% RE2O3 (RE = La, Pr, Nd, Sm, Gd and Dy) spun ...

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.)

Anomalous diffusion in a dynamical optical lattice

Science.gov (United States)

Zheng, Wei; Cooper, Nigel R.

2018-02-01

Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to have a period that is incommensurate with that of an underlying static lattice, leading to a dynamical version of the Aubry-André model which can cause localization of single-particle wave functions. We show that atomic wave packets in this dynamical lattice generically spread via anomalous diffusion, which can be tuned between superdiffusive and subdiffusive regimes. This anomalous diffusion arises from an interplay between Anderson localization and quantum fluctuations of the cavity field.

Testing the holographic principle using lattice simulations

Directory of Open Access Journals (Sweden)

Jha Raghav G.

2018-01-01

Full Text Available The lattice studies of maximally supersymmetric Yang-Mills (MSYM theory at strong coupling and large N is important for verifying gauge/gravity duality. Due to the progress made in the last decade, based on ideas from topological twisting and orbifolding, it is now possible to study these theories on the lattice while preserving an exact supersymmetry on the lattice. We present some results from the lattice studies of two-dimensional MSYM which is related to Type II supergravity. Our results agree with the thermodynamics of different black hole phases on the gravity side and the phase transition (Gregory–Laflamme between them.

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

Lattice formulation of a two-dimensional topological field theory

International Nuclear Information System (INIS)

Ohta, Kazutoshi; Takimi, Tomohisa

2007-01-01

We investigate an integrable property and the observables of 2-dimensional N=(4,4) topological field theory defined on a discrete lattice by using the 'orbifolding' and 'deconstruction' methods. We show that our lattice model is integrable and, for this reason, the partition function reduces to matrix integrals of scalar fields on the lattice sites. We elucidate meaningful differences between a discrete lattice and a differentiable manifold. This is important for studying topological quantities on a lattice. We also propose a new construction of N=(2,2) supersymmetric lattice theory, which is realized through a suitable truncation of scalar fields from the N=(4,4) theory. (author)

Temperature-dependent errors in nuclear lattice simulations

International Nuclear Information System (INIS)

Lee, Dean; Thomson, Richard

2007-01-01

We study the temperature dependence of discretization errors in nuclear lattice simulations. We find that for systems with strong attractive interactions the predominant error arises from the breaking of Galilean invariance. We propose a local 'well-tempered' lattice action which eliminates much of this error. The well-tempered action can be readily implemented in lattice simulations for nuclear systems as well as cold atomic Fermi systems

Random elements on lattices: Review and statistical applications

Science.gov (United States)

Potocký, Rastislav; Villarroel, Claudia Navarro; Sepúlveda, Maritza; Luna, Guillermo; Stehlík, Milan

2017-07-01

We discuss important contributions to random elements on lattices. We relate to both algebraic and probabilistic properties. Several applications and concepts are discussed, e.g. positive dependence, Random walks and distributions on lattices, Super-lattices, learning. The application to Chilean Ecology is given.

Preparation of SrCoOx thin films on LaAlO3 substrate and their reversible redox process at moderate temperatures

Science.gov (United States)

Hao, L.; Zhang, Z. F.; Xie, X. N.; Wang, H. R.; Yu, Q. X.; Zhu, H.

2015-10-01

Using magnetron sputtering and annealing techniques, we have prepared SrCoOx films on LaAlO3 and SrTiO3 substrates. Distinctly different structures of the films have been found on the two substrates. It is suggested that positive lattice mismatch between film and substrate promotes SrCoO2.5 films with an orthorhombic structure grown on SrTiO3 substrate, whereas negative lattice mismatch from LaAlO3 substrate is in favor of increasing the valence state of Co and thus the growth of oxygen-rich SrCoOx with a tetragonal structure. In addition to the structural characterization, magnetic and electrical measurements confirm that the oxygen content x is between 2.75 and 2.88 for the latter. Reversibility of the topotactic phase transformation between SrCoO2.5 and the oxygen-rich SrCoOx films has also been studied by changing the oxygen pressure during annealing process. Even in the presence of a negative lattice mismatch, the results reveal that the tetragonal SrCoOx films on LaAlO3 substrate retain high oxygen mobility identified before in cubic SrCoOx films.

Matter-wave bright solitons in effective bichromatic lattice potentials

Indian Academy of Sciences (India)

Matter-wave bright solitons in bichromatic lattice potentials are considered and their dynamics for different lattice environments are studied. Bichromatic potentials are created from superpositions of (i) two linear optical lattices and (ii) a linear and a nonlinear optical lattice. Effective potentials are found for the solitons in both ...

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)

Frustrated lattices of Ising chains

International Nuclear Information System (INIS)

Kudasov, Yurii B; Korshunov, Aleksei S; Pavlov, V N; Maslov, Dmitrii A

2012-01-01

The magnetic structure and magnetization dynamics of systems of plane frustrated Ising chain lattices are reviewed for three groups of compounds: Ca 3 Co 2 O 6 , CsCoCl 3 , and Sr 5 Rh 4 O 12 . The available experimental data are analyzed and compared in detail. It is shown that a high-temperature magnetic phase on a triangle lattice is normally and universally a partially disordered antiferromagnetic (PDA) structure. The diversity of low-temperature phases results from weak interactions that lift the degeneracy of a 2D antiferromagnetic Ising model on the triangle lattice. Mean-field models, Monte Carlo simulation results on the static magnetization curve, and results on slow magnetization dynamics obtained with Glauber's theory are discussed in detail. (reviews of topical problems)

Combined mode I-mode II fracture of 12-mol%-ceria-doped tetragonal zirconia polycrystalline ceramic

International Nuclear Information System (INIS)

Tikare, V.; Choi, S.R.

1997-01-01

The mode I, mode II, and combined mode I-mode II fracture behavior of ceria-doped tetragonal zirconia polycrystalline (Ce-TZP) ceramic was studied. The single-edge-precracked-beam (SEPB) samples were fractured using the asymmetric four-point-bend geometry. The ratio of mode I to mode II loading was varied by varying the degree of asymmetry in the four-point-bend geometry. The minimum strain energy density theory best described the mixed-mode fracture behavior of Ce-TZP with the mode I fracture toughness, K IC = 8.2 ± 0.6 MPa·m 1/2 , and the mode II fracture toughness, K IIC = 8.6 ± 1.3 MPa·m 1/2

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)

Introduction to Louis Michel's lattice geometry through group action

CERN Document Server

Zhilinskii, Boris

2015-01-01

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

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.

Monte Carlo numerical study of lattice field theories

International Nuclear Information System (INIS)

Gan Cheekwan; Kim Seyong; Ohta, Shigemi

1997-01-01

The authors are interested in the exact first-principle calculations of quantum field theories which are indeed exact ones. For quantum chromodynamics (QCD) at low energy scale, a nonperturbation method is needed, and the only known such method is the lattice method. The path integral can be evaluated by putting a system on a finite 4-dimensional volume and discretizing space time continuum into finite points, lattice. The continuum limit is taken by making the lattice infinitely fine. For evaluating such a finite-dimensional integral, the Monte Carlo numerical estimation of the path integral can be obtained. The calculation of light hadron mass in quenched lattice QCD with staggered quarks, 3-dimensional Thirring model calculation and the development of self-test Monte Carlo method have been carried out by using the RIKEN supercomputer. The motivation of this study, lattice QCD formulation, continuum limit, Monte Carlo update, hadron propagator, light hadron mass, auto-correlation and source size dependence are described on lattice QCD. The phase structure of the 3-dimensional Thirring model for a small 8 3 lattice has been mapped. The discussion on self-test Monte Carlo method is described again. (K.I.)

Detecting the BCS pairing amplitude via a sudden lattice ramp in a honeycomb lattice

Science.gov (United States)

Tiesinga, Eite; Nuske, Marlon; Mathey, Ludwig

2016-05-01

We determine the exact time evolution of an initial Bardeen-Cooper-Schrieffer (BCS) state of ultra-cold atoms in a hexagonal optical lattice. The dynamical evolution is triggered by ramping the lattice potential up, such that the interaction strength Uf is much larger than the hopping amplitude Jf. The quench initiates collective oscillations with frequency | Uf | /(2 π) in the momentum occupation numbers and imprints an oscillating phase with the same frequency on the order parameter Δ. The latter is not reproduced by treating the time evolution in mean-field theory. The momentum density-density or noise correlation functions oscillate at frequency | Uf | /(2 π) as well as its second harmonic. For a very deep lattice, with negligible tunneling energy, the oscillations of momentum occupation numbers are undamped. Non-zero tunneling after the quench leads to dephasing of the different momentum modes and a subsequent damping of the oscillations. This occurs even for a finite-temperature initial BCS state, but not for a non-interacting Fermi gas. We therefore propose to use this dephasing to detect a BCS state. Finally, we predict that the noise correlation functions in a honeycomb lattice will develop strong anti-correlations near the Dirac point. We acknowledge funding from the National Science Foundation.

The lattice distortion around the divacancy in cubic metals using the method of lattice statics

International Nuclear Information System (INIS)

Yoshioki, S.

1976-01-01

The lattice distortion produced by a divacancy in FCC metals (Al, Cu, Ag and Au) and in BCC metals (Fe, Mo and V) has been calculated using the method of lattice statics. The model assumes non-equilibrium pairwise interactions extending out to second nearest neighbours. Roughly speaking, the relaxation volumes associated with the divacancy are twice the values for the isolated vacancy. (author)

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

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

Recursive evaluation of space-time lattice Green's functions

NARCIS (Netherlands)

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

Low-energy scattering on the lattice

International Nuclear Information System (INIS)

Bour Bour, Shahin

2014-01-01

In this thesis we present precision benchmark calculations for two-component fermions in the unitarity limit using an ab initio method, namely Hamiltonian lattice formalism. We calculate the ground state energy for unpolarized four particles (Fermi gas) in a periodic cube as a fraction of the ground state energy of the non-interacting system for two independent representations of the lattice Hamiltonians. We obtain the values 0.211(2) and 0.210(2). These results are in full agreement with the Euclidean lattice and fixed-node diffusion Monte Carlo calculations. We also give an expression for the energy corrections to the binding energy of a bound state in a moving frame. These corrections contain information about the mass and number of the constituents and are topological in origin and will have a broad applications to the lattice calculations of nucleons, nuclei, hadronic molecules and cold atoms. As one of its applications we use this expression and determine the low-energy parameters for the fermion dimer elastic scattering in shallow binding limit. For our lattice calculations we use Luescher's finite volume method. From the lattice calculations we find κa fd =1.174(9) and κr fd =-0.029(13), where κ represents the binding momentum of dimer and a fd (r fd ) denotes the scattering length (effective-range). These results are confirmed by the continuum calculations using the Skorniakov-Ter-Martirosian integral equation which gives 1.17907(1) and -0.0383(3) for the scattering length and effective range, respectively.

Saddle-points of a two dimensional random lattice theory

International Nuclear Information System (INIS)

Pertermann, D.

1985-07-01

A two dimensional random lattice theory with a free massless scalar field is considered. We analyse the field theoretic generating functional for any given choice of positions of the lattice sites. Asking for saddle-points of this generating functional with respect to the positions we find the hexagonal lattice and a triangulated version of the hypercubic lattice as candidates. The investigation of the neighbourhood of a single lattice site yields triangulated rectangles and regular polygons extremizing the above generating functional on the local level. (author)

Kinetic models for irreversible processes on a lattice

Energy Technology Data Exchange (ETDEWEB)

Wolf, N.O.

1979-04-01

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

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

Science.gov (United States)

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

2017-08-03

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

Kinetic models for irreversible processes on a lattice

International Nuclear Information System (INIS)

Wolf, N.O.

1979-04-01

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

Lattice chiral symmetry and the Wess-Zumino model

International Nuclear Information System (INIS)

Fujikawa, Kazuo; Ishibashi, Masato

2002-01-01

A lattice regularization of the supersymmetric Wess-Zumino model is studied by using Ginsparg-Wilson operators. We recognize a certain conflict between the lattice chiral symmetry and the Majorana condition for Yukawa couplings, or in Weyl representation a conflict between the lattice chiral symmetry and Yukawa couplings. This conflict is also related, though not directly, to the fact that the kinetic (Kaehler) term and the superpotential term are clearly distinguished in the continuum Wess-Zumino model, whereas these two terms are mixed in the Ginsparg-Wilson operators. We illustrate a case where lattice chiral symmetry together with naive Bose-Fermi symmetry is imposed by preserving a SUSY-like symmetry in the free part of the Lagrangian; one-loop level non-renormalization of the superpotential is then maintained for finite lattice spacing, though the finite parts of wave function renormalization deviate from the supersymmetric value. All these properties hold for the general Ginsparg-Wilson algebra independently of the detailed construction of lattice Dirac operators

Broad-band dielectric spectroscopy of tetragonal PLZT x/40/60

Czech Academy of Sciences Publication Activity Database

Buixaderas, Elena; Noujni, Dmitri; Veljko, Sergiy; Savinov, Maxim; Vaněk, Přemysl; Kamba, Stanislav; Petzelt, Jan; Kosec, M.

2006-01-01

Roč. 79, 6-7 (2006), s. 415-426 ISSN 0141-1594 R&D Projects: GA ČR(CZ) GA202/06/0403; GA ČR GA202/04/0993 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectrics * relaxors * dielectric behaviour * lattice dynamics dielectric spectroscopy * IR spectroscopy * THz spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.830, year: 2006

Towards the simplest hydrodynamic lattice-gas model.

Science.gov (United States)

Boghosian, Bruce M; Love, Peter J; Meyer, David A

2002-03-15

It has been known since 1986 that it is possible to construct simple lattice-gas cellular automata whose hydrodynamics are governed by the Navier-Stokes equations in two dimensions. The simplest such model heretofore known has six bits of state per site on a triangular lattice. In this work, we demonstrate that it is possible to construct a model with only five bits of state per site on a Kagome lattice. Moreover, the model has a simple, deterministic set of collision rules and is easily implemented on a computer. In this work, we derive the equilibrium distribution function for this lattice-gas automaton and carry out the Chapman-Enskog analysis to determine the form of the Navier-Stokes equations.

An approach to the isoperimetric problem on some lattices

International Nuclear Information System (INIS)

Duarte, J.A.M.S.

1979-01-01

In this paper it is shown how elements of convex-set theory and lattice symmetry requirements can be combined to determine the areas, symmetry point groups and lattice constants of all isoperimetric solutions for regular lattices. The technique is also applied to one semi-regular lattice, where it assists in obtaining the exact expansion for polygonal closures. (author)

Near integrability of kink lattice with higher order interactions

Science.gov (United States)

Jiang, Yun-Guo; Liu, Jia-Zhen; He, Song

2017-11-01

We make use of Manton’s analytical method to investigate the force between kinks and anti-kinks at large distances in 1+1 dimensional field theory. The related potential has infinite order corrections of exponential pattern, and the coefficients for each order are determined. These coefficients can also be obtained by solving the equation of the fluctuations around the vacuum. At the lowest order, the kink lattice represents the Toda lattice. With higher order correction terms, the kink lattice can represent one kind of generic Toda lattice. With only two sites, the kink lattice is classically integrable. If the number of sites of the lattice is larger than two, the kink lattice is not integrable but is a near integrable system. We make use of Flaschka’s variables to study the Lax pair of the kink lattice. These Flaschka’s variables have interesting algebraic relations and non-integrability can be manifested. We also discuss the higher Hamiltonians for the deformed open Toda lattice, which has a similar result to the ordinary deformed Toda. Supported by Shandong Provincial Natural Science Foundation (ZR2014AQ007), National Natural Science Foundation of China (11403015, U1531105), S. He is supported by Max-Planck fellowship in Germany and National Natural Science Foundation of China (11305235)

Spectral Gaps in Graphene Antidot Lattices

DEFF Research Database (Denmark)

Barbaroux, Jean-Marie; Cornean, Decebal Horia; Stockmeyer, Edgardo

2017-01-01

We consider the gap creation problem in an antidot graphene lattice, i.e. a sheet of graphene with periodically distributed obstacles. We prove several spectral results concerning the size of the gap and its dependence on different natural parameters related to the antidot lattice....

Lattice Studies of Hyperon Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Richards, David G. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

2016-04-01

I describe recent progress at studying the spectrum of hadrons containing the strange quark through lattice QCD calculations. I emphasise in particular the richness of the spectrum revealed by lattice studies, with a spectrum of states at least as rich as that of the quark model. I conclude by prospects for future calculations, including in particular the determination of the decay amplitudes for the excited states.

Harmonic oscillator on a lattice

International Nuclear Information System (INIS)

Ader, J.P.; Bonnier, B.; Hontebeyrie, M.; Meyers, C.

1983-01-01

The continuum limit of the ground state energy for the harmonic oscillator with discrete time is derived for all possible choices of the lattice derivative. The occurrence of unphysical values is shown to arise whenever the lattice laplacian is not strictly positive on its Brillouin zone. These undesirable limits can either be finite and arbitrary (multiple spectrum) or infinite (overlapping sublattices with multiple spectrum). (orig.)

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.)

Group theory and lattice gauge fields

International Nuclear Information System (INIS)

Creutz, M.

1988-09-01

Lattice gauge theory, formulated in terms of invariant integrals over group elements on lattice bonds, benefits from many group theoretical notions. Gauge invariance provides an enormous symmetry and powerful constraints on expectation values. Strong coupling expansions require invariant integrals over polynomials in group elements, all of which can be evaluated by symmetry considerations. Numerical simulations involve random walks over the group. These walks automatically generate the invariant group measure, avoiding explicit parameterization. A recently proposed overrelaxation algorithm is particularly efficient at exploring the group manifold. These and other applications of group theory to lattice gauge fields are reviewed in this talk. 17 refs

Inexpensive chirality on the lattice

International Nuclear Information System (INIS)

Kamleh, W.; Williams, A.G.; Adams, D.

2000-01-01

Full text: Implementing lattice fermions that resemble as closely as possible continuum fermions is one of the main goals of the theoretical physics community. Aside from a lack of infinitely powerful computers, one of the main impediments to this is the Nielsen-Ninomiya No-Go theorem for chirality on the lattice. One of the consequences of this theorem is that exact chiral symmetry and a lack of fermion doublers cannot be simultaneously satisfied for fermions on the lattice. In the commonly used Wilson fermion formulation, chiral symmetry is explicitly sacrificed on the lattice to avoid fermion doubling. Recently, an alternative has come forward, namely, the Ginsparg-Wilson relation and one of its solutions, the Overlap fermion. The Ginsparg-Wilson relation is a statement of lattice-deformed chirality. The Overlap-Dirac operator is a member of the family of solutions of the Ginsparg-Wilson relation. In recent times, Overlap fermions have been of great interest to the community due to their excellent chiral properties. However, they are significantly more expensive to implement than Wilson fermions. This expense is primarily due to the fact that the Overlap implementation requires an evaluation of the sign function for the Wilson-Dirac operator. The sign function is approximated by a high order rational polynomial function, but this approximation is poor close to the origin. The less near-zero modes that the Wilson- Dirac operator possesses, the cheaper the Overlap operator will be to implement. A means of improving the eigenvalue properties of the Wilson-Dirac operator by the addition of a so-called 'Clover' term is put forward. Numerical results are given that demonstrate this improvement. The Nielsen-Ninomiya no-go theorem and chirality on the lattice are reviewed. The general form of solutions of the Ginsparg-Wilson relation are given, and the Overlap solution is discussed. Properties of the Overlap-Dirac operator are given, including locality and analytic

Protocol of thermal treatments for the recovery of tetragonal phase in infrastructures of dental prostheses base of ZrO{sub 2} (3-Y{sub 2}O{sub 3}) mills in CAD / CAM systems or panthories; Protocolo de tratamentos termicos visando recuperacao da fase tetragonal em infraestruturas de proteses dentarias a base de ZrO{sub 2}(3-Y{sub 2}O{sub 3}) fresadas em sistemas CAD/CAM ou pantografos

Energy Technology Data Exchange (ETDEWEB)

Simba, B.G.; Ferreira, B.; Santos, C. [Universidade de Sao Paulo (EEL/USP), Lorena, SP (Brazil). Escola de Engenharia; Costa, L. [Centro Universitario de Volta Redonda (MeMAT/UNIFOA), RJ (Brazil). Pro-Reitoria de Pesquisa e Extensao; Sa, L.F.C. de, E-mail: brgalvao@yahoo.com.br [PROTMAT Materiais Avancados, Volta Redonda, RJ (Brazil)

2011-07-01

ZrO{sub 2}(3%Y{sub 2}O{sub 3}) bioceramics are used as dental materials mainly as prosthesis components, because present high mechanical properties and translucence. The use of CAD/CAM machining technique needs final grinding which promotes tetragonal monoclinic transformation reducing the reliability of this ceramic. In this work, ZrO{sub 2}(3%Y{sub 2}O{sub 3}) ceramics were sintered at 1450-0h, 1530-2h or 1600-4h and characterized. Different heat-treatment (400-1200 deg C) are proposed aiming the recuperation of the tetragonal crystalline phase. (author)

Cluster evolution and critical cluster sizes for the square and triangular lattice Ising models using lattice animals and Monte Carlo simulations

NARCIS (Netherlands)

Eising, G.; Kooi, B. J.

2012-01-01

Growth and decay of clusters at temperatures below T-c have been studied for a two-dimensional Ising model for both square and triangular lattices using Monte Carlo (MC) simulations and the enumeration of lattice animals. For the lattice animals, all unique cluster configurations with their internal

Comparative study on cubic and tetragonal CexZr1-xO2 supported MoO3-catalysts for sulfur-resistant methanation

Science.gov (United States)

Liu, Zhaopeng; Xu, Yan; Cheng, Jiaming; Wang, Weihan; Wang, Baowei; Li, Zhenhua; Ma, Xinbin

2018-03-01

In this paper, two kinds of CexZr1-xO2 solid solution carriers with different Ce/Zr ratio were prepared by one-step co-precipitation method: the cubic Ce0.8Zr0.2O2 and the tetragonal Ce0.2Zr0.8O2 support. The MoO3/Ce0.8Zr0.2O2 and MoO3/Ce0.2Zr0.8O2 catalysts were prepared by incipient wetness impregnation method for comparative study on sulfur-resistant methanation reaction. The N2 adsorption/desorption, X-ray diffraction (XRD), Raman spectroscopy (RS), X-ray photoelectron (XPS), transmission electron microscopy (TEM), temperature-programmed reduction by hydrogen (H2-TPR) were undertaken to characterize the physico-chemical properties of the samples. The results indicated that the prepared MoO3/CexZr1-xO2 catalysts have a mesoporous structure with high surface area and uniform pore size distribution, achieving good MoO3 dispersion on CexZr1-xO2 supports. As for the catalytic performance of sulfur-resistant methanation, the cubic MoO3/Ce0.8Zr0.2O2 exhibited better than the tetragonal MoO3/Ce0.2Zr0.8O2 catalyst at reaction temperature 400 °C and 450 °C. CO conversion on the cubic MoO3/Ce0.8Zr0.2O2 catalyst was 50.1% at 400 °C and 75.5% at 450 °C, which is respectively 7% and 20% higher than that on the tetragonal MoO3/Ce0.2Zr0.8O2 catalyst. These were mainly attributed to higher content of active MoS2 on the surface of catalyst, the enhanced oxygen mobility, increased Mo-species dispersion as well as the excellent reducibility resulted from the increased amount of the reducible Ce3+ on the cubic MoO3/Ce0.8Zr0.2O2 catalyst.

Pressure effect on structural, elastic, and thermodynamic properties of tetragonal B4C4

Directory of Open Access Journals (Sweden)

Baobing Zheng

2015-03-01

Full Text Available The compressibility, elastic anisotropy, and thermodynamic properties of the recently proposed tetragonal B4C4 (t-B4C4 are investigated under high temperature and high pressure by using of first-principles calculations method. The elastic constants, bulk modulus, shear modulus, Young’s modulus, Vickers hardness, Pugh’s modulus ratio, and Poisson’s ratio for t-B4C4 under various pressures are systematically explored, the obtained results indicate that t-B4C4 is a stiffer material. The elastic anisotropies of t-B4C4 are discussed in detail under pressure from 0 GPa to 100 GPa. The thermodynamic properties of t-B4C4, such as Debye temperature, heat capacity, and thermal expansion coefficient are investigated by the quasi-harmonic Debye model.

Ligand mediated synthesis of AgInSe2 nanoparticles with tetragonal/orthorhombic crystal phases

International Nuclear Information System (INIS)

Abazović, Nadica D.; Čomor, Mirjana I.; Mitrić, Miodrag N.; Piscopiello, Emanuela; Radetić, Tamara; Janković, Ivana A.; Nedeljković, Jovan M.

2012-01-01

Nanosized AgInSe 2 particles (d ∼ 7–25 nm) were synthesized using colloidal chemistry method at 270 °C. As solvents/surface ligands 1-octadecene, trioctylphosphine, and oleylamine were used. It was shown that choice of ligand has crucial impact not only on final crystal phase of nanoparticles, but also at mechanism of crystal growth. X-ray diffraction and TEM/HRTEM techniques were used to identify obtained crystal phases and to measure average size and shape of nanoparticles. UV/Vis data were used to estimate band-gap energies of obtained samples. It was shown that presented routes can provide synthesis of nanoparticles with desired crystal phase (tetragonal and/or orthorhombic), with band-gap energies in the range from 1.25 to 1.53 eV.

Structure of tetragonal martensite in the In95.42Cd4.58 cast alloy

Science.gov (United States)

Khlebnikova, Yu. V.; Egorova, L. Yu.; Rodionov, D. P.; Kazantsev, V. A.

2017-11-01

The structure of martensite in the In95.42Cd4.58 alloy has been studied by metallography, X-ray diffraction, dilatometry, and transmission electron microscopy. It has been shown that a massive structure built of colonies of tetragonal lamellar plates divided by a twin boundary {101}FCT is formed in the alloy under cooling below the martensite FCC → FCT transition temperature. The alloy recrystallizes after a cycle of FCT → FCC → FCT transitions with a decrease in the grain size by several times compared with the initial structure such fashion that the size of massifs and individual martensite lamella in the massif correlates with the change in the size of the alloy grain. Using thermal cycling, it has been revealed that the alloy tends to stabilize the high-temperature phase.

Synthesis and characterization of tetraethylammonium tetrachloro ...

Indian Academy of Sciences (India)

Unknown

vibrational frequencies corresponding to (TEA)+ ions and. −. 2. 4. CoCl ions were assigned from the IR spectral data of this crystal. Keywords. Single crystals; unit cell parameters; first order phase transition; thermal anomaly; tetragonal lattice. 1. Introduction. Tetraethylammonium tetrachlorocobaltate (TEATC–Co) belongs to ...

Raman spectroscopy analysis of air grown oxide scale developed on pure zirconium substrate

Energy Technology Data Exchange (ETDEWEB)

Kurpaska, L., E-mail: lukasz.kurpaska@ncbj.gov.pl [Laboratoire Roberval, UMR 7337, Université de Technologie de Compiègne, Centre de Recherche de Royallieu, CS 60319, 60203 Compiègne Cedex (France); National Center for Nuclear Research, St. A. Soltana 7/23, 05-400 Otwock-Swierk (Poland); Favergeon, J. [Laboratoire Roberval, UMR 7337, Université de Technologie de Compiègne, Centre de Recherche de Royallieu, CS 60319, 60203 Compiègne Cedex (France); Lahoche, L. [Laboratoire Roberval, UMR 7337, Université de Technologie de Compiègne, Centre de Recherche de Royallieu, CS 60319, 60203 Compiègne Cedex (France); Laboratoire des Technologies Innovantes, Université de Picardie Jules-Verne, EA 3899, Avenue des Facultés – Le Bailly, 80025 Amiens Cedex (France); El-Marssi, M. [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules-Verne, 33 rue St. Leu, 80039 Amiens Cedex (France); Grosseau Poussard, J.-L. [LaSIE UMR-CNRS 7356, Pole Sciences et Technologie, Universite de La Rochelle, av. M Crepeau, 17042 La Rochelle, Cedex (France); Moulin, G.; Roelandt, J.-M. [Laboratoire Roberval, UMR 7337, Université de Technologie de Compiègne, Centre de Recherche de Royallieu, CS 60319, 60203 Compiègne Cedex (France)

2015-11-15

Using Raman spectroscopy technique, external and internal parts of zirconia oxide films developed at 500 °C and 600 °C on pure zirconium substrate under air at normal atmospheric pressure have been examined. Comparison of Raman peak positions of tetragonal and monoclinic zirconia phases, recorded during the oxide growth at elevated temperature, and after cooling at room temperature have been presented. Subsequently, Raman peak positions (or shifts) were interpreted in relation with the stress evolution in the growing zirconia scale, especially closed to the metal/oxide interface, where the influence of compressive stress in the oxide is the biggest. Reported results, for the first time show the presence of a continuous layer of tetragonal zirconia phase developed in the proximity of pure zirconium substrate. Based on the Raman peak positions we prove that this tetragonal layer is stabilized by the high compressive stress and sub-stoichiometry level. Presence of the tetragonal phase located in the outer part of the scale have been confirmed, yet its Raman characteristics suggest a stress-free tetragonal phase, therefore different type of stabilization mechanism. Presented study suggest that its stabilization could be related to the lattice defects introduced by highstoichiometry of zirconia or presence of heterovalent cations. - Highlights: • The oxide layer consists of a mixture of tetragonal and monoclinic phases, clearly distinguishable by Raman spectroscopy. • The layer located close to the metal/oxide interphase consists mainly of the tetragonal phase. • Small amount of tetragonal layer located in the external oxide scale have been observed. • Stabilization mechanism of the tetragonal phase located in the external part of the oxide have been proposed.

Scandium fluorides

International Nuclear Information System (INIS)

Melnikov, P.; Nalin, M.; Messaddeq, Y.

1997-01-01

A new modification of scandium fluoride has been synthesised. The compound is deficient in fluorine, with the composition ScF 2.76 . It belongs to the tetragonal system, lattice parameters being a=3.792 and c=6.740 A and may be obtained at low temperatures by the decomposition of the precursor NH 4 ScF 4 . The reaction is topotactic, tetragonal parameters of the precursor are a=4.021 and c=6.744 A. Structural relationships with various fluorides and ammonium aminofluorides are discussed. This synthesis route with IR-assisted decomposition should be considered as a soft-chemistry approach. (orig.)

Multilayer DNA Origami Packed on Hexagonal and Hybrid Lattices

DEFF Research Database (Denmark)

Ke, Yonggang; Voigt, Niels Vinther; Shih, William M.

2012-01-01

“Scaffolded DNA origami” has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry....... Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer...... DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology....

Multilayer DNA origami packed on hexagonal and hybrid lattices.

Science.gov (United States)

Ke, Yonggang; Voigt, Niels V; Gothelf, Kurt V; Shih, William M

2012-01-25

"Scaffolded DNA origami" has been proven to be a powerful and efficient approach to construct two-dimensional or three-dimensional objects with great complexity. Multilayer DNA origami has been demonstrated with helices packing along either honeycomb-lattice geometry or square-lattice geometry. Here we report successful folding of multilayer DNA origami with helices arranged on a close-packed hexagonal lattice. This arrangement yields a higher density of helical packing and therefore higher resolution of spatial addressing than has been shown previously. We also demonstrate hybrid multilayer DNA origami with honeycomb-lattice, square-lattice, and hexagonal-lattice packing of helices all in one design. The availability of hexagonal close-packing of helices extends our ability to build complex structures using DNA nanotechnology. © 2011 American Chemical Society

Cubic-tetragonal transformation and magnetic properties in copper ferrites with excess Fe/sub 2/O/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Sugimoto, M [Saitama Univ., Urawa (Japan)

1977-01-01

Measurements have been performed of cubic-tetragonal transition temperatures and magnetic properties on a set of those samples of the binary system CuO-Fe/sub 2/O/sub 3/ which contain Fe/sub 2/O/sub 3/ more than stoichiometric CuFe/sub 2/O/sub 4/. A marked magnetic hardening was observed on a sample of 40CuO.60Fe/sub 2/O/sub 3/ which has been verified, through the X-ray analyses and measurements of Moessbauer spectra, to result from the precipitation of ..cap alpha..-Fe/sub 2/O/sub 3/ taking place during annealing.

Lattice parameter values and phase transitions for the Cu{sub 2}Cd{sub 1-z}Mn{sub z}SnSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe{sub z}SnSe{sub 4} alloys

Energy Technology Data Exchange (ETDEWEB)

Moreno, E. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Quintero, M., E-mail: mquinter@ula.v [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Morocoima, M.; Quintero, E.; Grima, P.; Tovar, R.; Bocaranda, P. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Delgado, G.E.; Contreras, J.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Mora, A.E.; Briceno, J.M.; Avila Godoy, R.; Fernandez, J.L. [Laboratorio de Analisis Quimico y Estructural de Materiales, Departamento de Fisica, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Henao, J.A.; Macias, M.A. [Grupo de Investigacion en Quimica Estructural (GIQUE), Facultad de Ciencias, Escuela de Quimica, Universidad Industrial de Santander, Apartado aereo 678, Bucaramanga (Colombia)

2009-11-03

X-ray powder diffraction measurements and differential thermal analysis (DTA) were made on polycrystalline samples of the Cu{sub 2}Cd{sub 1-z}Mn{sub z}SnSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe{sub z}SnSe{sub 4} alloy systems. The diffraction patterns were used to show the equilibrium conditions and to derive lattice parameter values. For Cu{sub 2}Cd{sub 0.8}Fe{sub 0.2}SnSe{sub 4} as well as for Cu{sub 2}Cd{sub 0.2}Fe{sub 0.8}SnSe{sub 4} the crystal structures were refined using the Rietveld method. It was found that the internal distortion parameter sigma decreases as Cd is replaced by either Mn and/or Fe. For the Cu{sub 2}Cd{sub 1-z}Mn{sub z}SnSe{sub 4} and Cu{sub 2}Cd{sub 1-z}Fe{sub z}SnSe{sub 4} alloy systems, only two single solid phase fields, the tetragonal stannite alpha(I4-bar2m) and the wurtz-stannite delta (Pmn2{sub 1}) structures were found to occur in the diagram. In addition to the tetragonal stannite alpha phase extra X-ray diffraction lines due to MnSe and/or FeSe{sub 2} were observed for as grown samples in the range 0.7 < z < 1.0. However, it was found that the amount of the extra phase decreased for the compressed samples.

Lattice gauge theory for QCD

International Nuclear Information System (INIS)

DeGrand, T.

1997-01-01

These lectures provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1: Basic techniques for QCD and results for hadron spectroscopy using the simplest discretizations; lecture 2: Improved actions--what they are and how well they work; lecture 3: SLAC physics from the lattice-structure functions, the mass of the glueball, heavy quarks and α s (M z ), and B-anti B mixing. 67 refs., 36 figs

Nucleon electromagnetic form factors from lattice QCD

International Nuclear Information System (INIS)

Alexandrou, C.; Koutsou, G.; Negele, J. W.; Tsapalis, A.

2006-01-01

We evaluate the isovector nucleon electromagnetic form factors in quenched and unquenched QCD on the lattice using Wilson fermions. In the quenched theory we use a lattice of spatial size 3 fm at β=6.0 enabling us to reach low momentum transfers and a lowest pion mass of about 400 MeV. In the unquenched theory we use two degenerate flavors of dynamical Wilson fermions on a lattice of spatial size 1.9 fm at β=5.6 and lowest pion mass of about 380 MeV enabling comparison with the results obtained in the quenched theory. that unquenching effects are small for the pion masses considered in this work. We compare our lattice results to the isovector part of the experimentally measured form factors

Extended Josephson Relation and Abrikosov lattice deformation

International Nuclear Information System (INIS)

Matlock, Peter

2012-01-01

From the point of view of time-dependent Ginzburg Landau (TDGL) theory, a Josephson-like relation is derived for an Abrikosov vortex lattice accelerated and deformed by applied fields. Beginning with a review of the Josephson Relation derived from the two ingredients of a lattice-kinematics assumption in TDGL theory and gauge invariance, we extend the construction to accommodate a time-dependent applied magnetic field, a Floating-Kernel formulation of normal current, and finally lattice deformation due to the electric field and inertial effects of vortex-lattice motion. The resulting Josephson-like relation, which we call an Extended Josephson Relation, applies to a much wider set of experimental conditions than the original Josephson Relation, and is explicitly compatible with the considerations of TDGL theory.

Lattice design in high-energy particle accelerators

CERN Document Server

Holzer, B J

2006-01-01

This lecture introduces storage-ring lattice desing. Applying the formalism that has been established in transverse beam optics, the basic principles of the development of a magnet lattice are explained and the characteristics of the resulting magnet structure are discussed. The periodic assembly of a storage ring cell with its boundary conditions concerning stability and scaling of the beam optics parameters is addressed as well as special lattice structures: drifts, mini beta insertions, dispersion suppressors, etc. In addition to the exact calculations indispensable for a rigorous treatment of the matter, scaling rules are shown and simple rules of thumb are included that enable the lattice designer to do the first estimates and get the basic numbers ‘on the back of an envelope’.

Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO

Science.gov (United States)

Hamad, I. J.; Manuel, L. O.; Aligia, A. A.

2018-04-01

Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized t -J model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous ab initio calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized t -J model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

Compact lattice QED with Wilson fermions

International Nuclear Information System (INIS)

Hoferichter, A.

1994-08-01

We study the phase structure and the chiral limit of 4d compact lattice QED with Wilson fermions (both dynamical and quenched). We use the standard Wilson gauge action and also a modified one suppressing lattice artifacts. Different techniques and observables to locate the chiral limit are discussed. (orig.)

Digital lattice gauge theories

Science.gov (United States)

Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

2017-02-01

We propose a general scheme for a digital construction of lattice gauge theories with dynamical fermions. In this method, the four-body interactions arising in models with 2 +1 dimensions and higher are obtained stroboscopically, through a sequence of two-body interactions with ancillary degrees of freedom. This yields stronger interactions than the ones obtained through perturbative methods, as typically done in previous proposals, and removes an important bottleneck in the road towards experimental realizations. The scheme applies to generic gauge theories with Lie or finite symmetry groups, both Abelian and non-Abelian. As a concrete example, we present the construction of a digital quantum simulator for a Z3 lattice gauge theory with dynamical fermionic matter in 2 +1 dimensions, using ultracold atoms in optical lattices, involving three atomic species, representing the matter, gauge, and auxiliary degrees of freedom, that are separated in three different layers. By moving the ancilla atoms with a proper sequence of steps, we show how we can obtain the desired evolution in a clean, controlled way.

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.)

Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets

Energy Technology Data Exchange (ETDEWEB)

Antao, Sytle M.; Cruickshank, Laura A.

2018-01-30

Cubic garnet (space group Ia\\overline 3 d) has the general formulaX₃Y₂Z₃O₁₂, whereX,YandZare cation sites. In the tetragonal garnet (space groupI4₁/acd), the corresponding cation sites areX1 andX2,Y, andZ1 andZ2. In both space groups only theYsite is the same. The crystal chemistry of a tetragonal (OH,F)-rich spessartine sample from Tongbei, near Yunxiao, Fujian Province, China, with composition^X(Mn_2.82Fe^{2+}_{0.14}Ca_0.04)_Σ3^Y{Al_1.95Fe^{3+}_{0.05}}_Σ2^Z[(SiO₄)_2.61(O₄H₄)_0.28(F₄)_0.11]_Σ3(Sps₉₄Alm₅Grs₁) was studied with single-crystal X-ray diffraction and space groupI4₁/acd. The deviation of the unit-cell parameters from cubic symmetry is small [a= 11.64463(1),c= 11.65481 (2) Å,c/a= 1.0009]. Point analyses and back-scattered electron images, obtained by electron-probe microanalysis, indicate a homogeneous composition. TheZ2 site is fully occupied, but theZ1 site contains vacancies. The occupiedZ1 andZ2 sites with Si atoms are surrounded by four O atoms, as in anhydrous cubic garnets. Pairs of split sites are O1 with F11 and O2 with O22. When theZ1 site is vacant, a larger [(O₂H₂)F₂] tetrahedron is formed by two OH and two F anions in the O22 and F11 sites, respectively. This [(O₂

An analytical study of double bend achromat lattice

Energy Technology Data Exchange (ETDEWEB)

Fakhri, Ali Akbar, E-mail: fakhri@rrcat.gov.in; Kant, Pradeep; Singh, Gurnam; Ghodke, A. D. [Raja Ramanna Centre for Advanced Technology, Indore 452 013 (India)

2015-03-15

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented.

An analytical study of double bend achromat lattice.

Science.gov (United States)

Fakhri, Ali Akbar; Kant, Pradeep; Singh, Gurnam; Ghodke, A D

2015-03-01

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented.

An analytical study of double bend achromat lattice

International Nuclear Information System (INIS)

Fakhri, Ali Akbar; Kant, Pradeep; Singh, Gurnam; Ghodke, A. D.

2015-01-01

In a double bend achromat, Chasman-Green (CG) lattice represents the basic structure for low emittance synchrotron radiation sources. In the basic structure of CG lattice single focussing quadrupole (QF) magnet is used to form an achromat. In this paper, this CG lattice is discussed and an analytical relation is presented, showing the limitation of basic CG lattice to provide the theoretical minimum beam emittance in achromatic condition. To satisfy theoretical minimum beam emittance parameters, achromat having two, three, and four quadrupole structures is presented. In this structure, different arrangements of QF and defocusing quadruple (QD) are used. An analytical approach assuming quadrupoles as thin lenses has been followed for studying these structures. A study of Indus-2 lattice in which QF-QD-QF configuration in the achromat part has been adopted is also presented

Generalized hydrodynamic transport in lattice-gas automata

Science.gov (United States)

Luo, Li-Shi; Chen, Hudong; Chen, Shiyi; Doolen, Gary D.; Lee, Yee-Chun

1991-01-01

The generalized hydrodynamics of two-dimensional lattice-gas automata is solved analytically in the linearized Boltzmann approximation. The dependence of the transport coefficients (kinematic viscosity, bulk viscosity, and sound speed) upon wave number k is obtained analytically. Anisotropy of these coefficients due to the lattice symmetry is studied for the entire range of wave number, k. Boundary effects due to a finite mean free path (Knudsen layer) are analyzed, and accurate comparisons are made with lattice-gas simulations.

Lattice dynamics and lattice thermal conductivity of thorium dicarbide

Energy Technology Data Exchange (ETDEWEB)

Liao, Zongmeng [Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai 200241 (China); Huai, Ping, E-mail: huaiping@sinap.ac.cn [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Qiu, Wujie [Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai 200241 (China); State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Ke, Xuezhi, E-mail: xzke@phy.ecnu.edu.cn [Institute of Theoretical Physics and Department of Physics, East China Normal University, Shanghai 200241 (China); Zhang, Wenqing [State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050 (China); Zhu, Zhiyuan [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China)

2014-11-15

The elastic and thermodynamic properties of ThC{sub 2} with a monoclinic symmetry have been studied by means of density functional theory and direct force-constant method. The calculated properties including the thermal expansion, the heat capacity and the elastic constants are in a good agreement with experiment. Our results show that the vibrational property of the C{sub 2} dimer in ThC{sub 2} is similar to that of a free standing C{sub 2} dimer. This indicates that the C{sub 2} dimer in ThC{sub 2} is not strongly bonded to Th atoms. The lattice thermal conductivity for ThC{sub 2} was calculated by means of the Debye–Callaway model. As a comparison, the conductivity of ThC was also calculated. Our results show that the ThC and ThC{sub 2} contributions of the lattice thermal conductivity to the total conductivity are 29% and 17%, respectively.

The prognosis of retinal detachment due to lattice degeneration.

Science.gov (United States)

Benson, W E; Morse, P H

1978-09-01

In a series of 553 consecutive retinal detachments, 29% (120) were due to lattice degeneration. Forty-five percent of these were due to atrophic holes in the lattice degeneration and 55% were due to tears caused by traction posterior to or at the end of a patch of lattice. In phakic patients, retinal detachments due to atrophic holes were most common in young myopes. Detachments due to traction tears were seen in older, less myopic patients. The incidence of massive periretinal proliferation was less (5%) in detachments due to lattice degeneration than in detachments not due to lattice degeneration (6.5%).

Representations of the Virasoro algebra from lattice models

International Nuclear Information System (INIS)

Koo, W.M.; Saleur, H.

1994-01-01

We investigate in detail how the Virasoro algebra appears in the scaling limit of the simplest lattice models of XXZ or RSOS type. Our approach is straightforward but to our knowledge had never been tried so far. We simply formulate a conjecture for the lattice stress-energy tensor motivated by the exact derivation of lattice global Ward identities. We then check that the proper algebraic relations are obeyed in the scaling limit. The latter is under reasonable control thanks to the Bethe-ansatz solution. The results, which are mostly numerical for technical reasons, are remarkably precise. They are also corroborated by exact pieces of information from various sources, in particular Temperley-Lieb algebra representation theory. Most features of the Virasoro algebra (like central term, null vectors, metric properties, etc.) can thus be observed using the lattice models. This seems of general interest for lattice field theory, and also more specifically for finding relations between conformal invariance and lattice integrability, since a basis for the irreducible representations of the Virasoro algebra should now follow (at least in principle) from Bethe-ansatz computations. ((orig.))

Dynamical Regge calculus as lattice gravity

International Nuclear Information System (INIS)

Hagura, Hiroyuki

2001-01-01

We propose a hybrid approach to lattice quantum gravity by combining simultaneously the dynamical triangulation with the Regge calculus, called the dynamical Regge calculus (DRC). In this approach lattice diffeomorphism is realized as an exact symmetry by some hybrid (k, l) moves on the simplicial lattice. Numerical study of 3D pure gravity shows that an entropy of the DRC is not exponetially bounded if we adopt the uniform measure Π i dl i . On the other hand, using the scale-invariant measure Π i dl i /l i , we can calculate observables and observe a large hysteresis between two phases that indicates the first-order nature of the phase transition

Lattice continuum and diffusional creep.

Science.gov (United States)

Mesarovic, Sinisa Dj

2016-04-01

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

Dark Solitons in FPU Lattice Chain

Science.gov (United States)

Wang, Deng-Long; Yang, Ru-Shu; Yang, You-Tian

2007-11-01

Based on multiple scales method, we study the nonlinear properties of a new Fermi-Pasta-Ulam lattice model analytically. It is found that the lattice chain exhibits a novel nonlinear elementary excitation, i.e. a dark soliton. Moreover, the modulation depth of dark soliton is increasing as the anharmonic parameter increases.

Dark Solitons in FPU Lattice Chain

International Nuclear Information System (INIS)

Wang Denglong; Yang Youtian; Yang Rushu

2007-01-01

Based on multiple scales method, we study the nonlinear properties of a new Fermi-Pasta-Ulam lattice model analytically. It is found that the lattice chain exhibits a novel nonlinear elementary excitation, i.e. a dark soliton. Moreover, the modulation depth of dark soliton is increasing as the anharmonic parameter increases.

Lattice overview

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

Minimal knotted polygons in cubic lattices

International Nuclear Information System (INIS)

Van Rensburg, E J Janse; Rechnitzer, A

2011-01-01

In this paper we examine numerically the properties of minimal length knotted lattice polygons in the simple cubic, face-centered cubic, and body-centered cubic lattices by sieving minimal length polygons from a data stream of a Monte Carlo algorithm, implemented as described in Aragão de Carvalho and Caracciolo (1983 Phys. Rev. B 27 1635), Aragão de Carvalho et al (1983 Nucl. Phys. B 215 209) and Berg and Foester (1981 Phys. Lett. B 106 323). The entropy, mean writhe, and mean curvature of minimal length polygons are computed (in some cases exactly). While the minimal length and mean curvature are found to be lattice dependent, the mean writhe is found to be only weakly dependent on the lattice type. Comparison of our results to numerical results for the writhe obtained elsewhere (see Janse van Rensburg et al 1999 Contributed to Ideal Knots (Series on Knots and Everything vol 19) ed Stasiak, Katritch and Kauffman (Singapore: World Scientific), Portillo et al 2011 J. Phys. A: Math. Theor. 44 275004) shows that the mean writhe is also insensitive to the length of a knotted polygon. Thus, while these results for the mean writhe and mean absolute writhe at minimal length are not universal, our results demonstrate that these values are quite close the those of long polygons regardless of the underlying lattice and length

Information flow between weakly interacting lattices of coupled maps

Energy Technology Data Exchange (ETDEWEB)

Dobyns, York [PEAR, Princeton University, Princeton, NJ 08544-5263 (United States); Atmanspacher, Harald [Institut fuer Grenzgebiete der Psychologie und Psychohygiene, Wilhelmstr. 3a, 79098 Freiburg (Germany)]. E-mail: haa@igpp.de

2006-05-15

Weakly interacting lattices of coupled maps can be modeled as ordinary coupled map lattices separated from each other by boundary regions with small coupling parameters. We demonstrate that such weakly interacting lattices can nevertheless have unexpected and striking effects on each other. Under specific conditions, particular stability properties of the lattices are significantly influenced by their weak mutual interaction. This observation is tantamount to an efficacious information flow across the boundary.

Information flow between weakly interacting lattices of coupled maps

International Nuclear Information System (INIS)

Dobyns, York; Atmanspacher, Harald

2006-01-01

Weakly interacting lattices of coupled maps can be modeled as ordinary coupled map lattices separated from each other by boundary regions with small coupling parameters. We demonstrate that such weakly interacting lattices can nevertheless have unexpected and striking effects on each other. Under specific conditions, particular stability properties of the lattices are significantly influenced by their weak mutual interaction. This observation is tantamount to an efficacious information flow across the boundary

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.

Lattice gauge theory for QCD

Energy Technology Data Exchange (ETDEWEB)

DeGrand, T. [Univ. of Colorado, Boulder, CO (United States). Dept. of Physics

1997-06-01

These lectures provide an introduction to lattice methods for nonperturbative studies of Quantum Chromodynamics. Lecture 1: Basic techniques for QCD and results for hadron spectroscopy using the simplest discretizations; lecture 2: Improved actions--what they are and how well they work; lecture 3: SLAC physics from the lattice-structure functions, the mass of the glueball, heavy quarks and {alpha}{sub s} (M{sub z}), and B-{anti B} mixing. 67 refs., 36 figs.

Design of a minimum emittance nBA lattice

Science.gov (United States)

Lee, S. Y.

1998-04-01

An attempt to design a minimum emittance n-bend achromat (nBA) lattice has been made. One distinct feature is that dipoles with two different lengths were used. As a multiple bend achromat, five bend achromat lattices with six superperiod were designed. The obtained emittace is three times larger than the theoretical minimum. Tunes were chosen to avoid third order resonances. In order to correct first and second order chromaticities, eight family sextupoles were placed. The obtained emittance of five bend achromat lattices is almost equal to the minimum emittance of five bend achromat lattice consisting of dipoles with equal length.

Gauge field theories on a || lattice

International Nuclear Information System (INIS)

Burkardt, Matthias

1999-01-01

In these notes, the transverse || lattice approach is presented as a means to control the k + →0 divergences in light-front QCD. Technical difficulties of both the canonical compact formulation as well as the non-compact formulation of the || lattice motivate the color-dielectric formulation, where the link fields are linearized

Simulation of diffusion in concentrated lattice gases

International Nuclear Information System (INIS)

Kehr, K.W.

1986-01-01

Recently the diffusion of particles in lattice gases was studied extensively by theoretical methods and numerical simulations. This paper reviews work on collective and, in particular, on tracer diffusion. The diffusion of tagged particles is characterized by a correlation factor whose behavior as a function of concentration is now well understood. Also the detailed kinetics of the tracer transitions was investigated. A special case is the one-dimensional lattice gas where the tracer diffusion coefficient vanishes. An interesting extension is the case of tagged atoms with a different transition rate. This model allows to study various physical situations, including impurity diffusion, percolation, and diffusion in partially blocked lattices. Finally some recent work on diffusion in lattice gases under the influence of a drift field will be reported. (author)

Lattice Waves, Spin Waves, and Neutron Scattering

Science.gov (United States)

Brockhouse, Bertram N.

1962-03-01

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

Experience with IBS-suppression lattice in RHIC

International Nuclear Information System (INIS)

Litvinenko, V.N.; Luo, Y.; Ptitsyn, V.; Satogata, T.; Tepikian, S.; Bai, M.; Bruno, D.; Cameron, P.; Connolly, R.; Della Penna, A.; Drees, A.; Fedotov, A.; Ganetis, G.; Hoff, L.; Louie, W.; Malitsky, N.; Marr, G.; Marusic, A.; Montag, C.; Pilat, F.; Roser, T.; Trbojevic, D.; Tsoupas, N.

2008-01-01

An intra-beam scattering (IBS) is the limiting factor of the luminosity lifetime for RHIC operating with heavy ions. In order to suppress the IBS we designed and implemented new lattice with higher betatron tunes. This lattice had been developed during last three years and had been used for gold ions in yellow ring of the RHIC during d-Au part of the RHIC Run-8. The use of this lattice allowed both significant increases in the luminosity lifetime and the luminosity levels via reduction of beta-stars in the IPS. In this paper we report on the development, the tests and the performance of IBS-suppression lattice in RHIC, including the resulting increases in the peak and the average luminosity. We also report on our plans for future steps with the IBS suppression

Lattice Design in High-energy Particle Accelerators

CERN Document Server

Holzer, B.J.

2014-01-01

This lecture gives an introduction into the design of high-energy storage ring lattices. Applying the formalism that has been established in transverse be am optics, the basic principles of the development of a magnet lattice are explained and the characteristics of the resulting magnet structure are discussed. The periodic assembly of a storage ring cell with its boundary conditions concerning stability and scaling of the beam optics parameters is addressed as well as special lattice insertions such as drifts, mini beta sections, dispersion suppressors, etc. In addition to the exact calculations that are indispensable for a rigorous treatment of the matter, scaling rules are shown and simple rules of thumb are included that enable the lattice designer to do the first estimates and get the basic numbers ‘ on the back of an envelope.

Tetragonal Lysozyme Interactions Studied by Site Directed Mutagenesis

Science.gov (United States)

Crawford, Lisa; Karr, Laurel J.; Nadarajah, Arunan; Pusey, Marc

1999-01-01

A number of recent experimental and theoretical studies have indicated that tetragonal lysozyme crystal growth proceeds by the addition of aggregates, formed by reversible self association of the solute molecules in the bulk solution. Periodic bond chain and atomic force microscopy studies have indicated that the probable growth unit is at minimum a 43 tetramer, and most likely an octamer composed of two complete turns about the 43 axis. If these results are correct, then there are intermolecular interactions which are only formed in the solution and others only formed at the joining of the growth unit to the crystal surface. We have set out to study these interactions, and the correctness of this hypothesis, using site directed mutagenesis of specific amino acid residues involved in the different bonds. We had initially expressed wild type lysozyme in S. cervasiae with yields of approximately 5 mg/L, which were eventually raised to approximately 40 mg/L. We are now moving the expression to the Pichia system, with anticipated yields of 300 to (3)500 mg/L, comparable to what can be obtained from egg whites. An additional advantage of using recombinant protein is the greater genetic homogeneity of the material obtained and the absence of any other contaminating egg proteins. The first mutation experiments are TYR 23 (Registered) PHE or ALA and ASN 113 (Registered) ALA or ASP. Both TYR 23 and ASN 113 form part of the postulated dimerization intermolecular binding site which lead to the formation of the 43 helix. Tyrosine also participates in an intermolecular hydrogen bond with ARG 114. The results of these and subsequent experiments will be discussed.

The congruences of a finite lattice a "proof-by-picture" approach

CERN Document Server

Grätzer, George

2016-01-01

This is a self-contained exposition by one of the leading experts in lattice theory, George Grätzer, presenting the major results of the last 70 years on congruence lattices of finite lattices, featuring the author's signature Proof-by-Picture method. Key features: * Insightful discussion of techniques to construct "nice" finite lattices with given congruence lattices and "nice" congruence-preserving extensions * Contains complete proofs, an extensive bibliography and index, and over 140 illustrations * This new edition includes two new parts on Planar Semimodular Lattices and The Order of Principle Congruences, covering the research of the last 10 years The book is appropriate for a one-semester graduate course in lattice theory, and it is a practical reference for researchers studying lattices. Reviews of the first edition: "There exist a lot of interesting results in this area of lattice theory, and some of them are presented in this book. [This] monograph…is an exceptional work in lattice theory, like ...

Strong coupling constant from Adler function in lattice QCD

Science.gov (United States)

Hudspith, Renwick J.; Lewis, Randy; Maltman, Kim; Shintani, Eigo

2016-09-01

We compute the QCD coupling constant, αs, from the Adler function with vector hadronic vacuum polarization (HVP) function. On the lattice, Adler function can be measured by the differential of HVP at two different momentum scales. HVP is measured from the conserved-local vector current correlator using nf = 2 + 1 flavor Domain Wall lattice data with three different lattice cutoffs, up to a-1 ≈ 3.14 GeV. To avoid the lattice artifact due to O(4) symmetry breaking, we set the cylinder cut on the lattice momentum with reflection projection onto vector current correlator, and it then provides smooth function of momentum scale for extracted HVP. We present a global fit of the lattice data at a justified momentum scale with three lattice cutoffs using continuum perturbation theory at 𝒪(αs4) to obtain the coupling in the continuum limit at arbitrary scale. We take the running to Z boson mass through the appropriate thresholds, and obtain αs(5)(MZ) = 0.1191(24)(37) where the first is statistical error and the second is systematic one.

Epithermal and Thermal Spectrum Indices in Heavy Water Lattices

Energy Technology Data Exchange (ETDEWEB)

Sokolowski, E K; Jonsson, A

1967-05-15

Spectral indices have been measured by foil activation technique in a number of different D{sub 2}O-moderated lattices in the Swedish zero power reactor R0 and the pressurized exponential assembly TZ. In most cases the fuel was in the form of single rods, distributed uniformly in the lattice. Parameters in these cases were lattice pitch and fuel composition. A 31-rod cluster lattice was also investigated, with the moderator temperature varying up to 210 deg C. On the basis of these measurements, as well as measurements on cluster lattices, reported by other investigators, it has been possible to derive simple correlations for the spectral indices, which seem to be of fairly general validity for D{sub 2}O lattices. The experimental results have also been compared to calculations with the multigroup collision probability program FLEF.

Epithermal and Thermal Spectrum Indices in Heavy Water Lattices

International Nuclear Information System (INIS)

Sokolowski, E.K.; Jonsson, A.

1967-05-01

Spectral indices have been measured by foil activation technique in a number of different D 2 O-moderated lattices in the Swedish zero power reactor R0 and the pressurized exponential assembly TZ. In most cases the fuel was in the form of single rods, distributed uniformly in the lattice. Parameters in these cases were lattice pitch and fuel composition. A 31-rod cluster lattice was also investigated, with the moderator temperature varying up to 210 deg C. On the basis of these measurements, as well as measurements on cluster lattices, reported by other investigators, it has been possible to derive simple correlations for the spectral indices, which seem to be of fairly general validity for D 2 O lattices. The experimental results have also been compared to calculations with the multigroup collision probability program FLEF

Lattice Quantum Chromodynamics

CERN Document Server

Sachrajda, C T

2016-01-01

I review the the application of the lattice formulation of QCD and large-scale numerical simulations to the evaluation of non-perturbative hadronic effects in Standard Model Phenomenology. I present an introduction to the elements of the calculations and discuss the limitations both in the range of quantities which can be studied and in the precision of the results. I focus particularly on the extraction of the QCD parameters, i.e. the quark masses and the strong coupling constant, and on important quantities in flavour physics. Lattice QCD is playing a central role in quantifying the hadronic effects necessary for the development of precision flavour physics and its use in exploring the limits of the Standard Model and in searches for inconsistencies which would signal the presence of new physics.

Lattice gauge theories

International Nuclear Information System (INIS)

Hasenfratz, A.; Hasenfratz, P.

1985-01-01

This paper deals almost exclusively with applications in QCD. Presumably QCD will remain in the center of lattice calculations in the near future. The existing techniques and the available computer resources should be able to produce trustworthy results in pure SU(3) gauge theory and in quenched hadron spectroscopy. Going beyond the quenched approximation might require some technical breakthrough or exceptional computer resources, or both. Computational physics has entered high-energy physics. From this point of view, lattice QCD is only one (although the most important, at present) of the research fields. Increasing attention is devoted to the study of other QFTs. It is certain that the investigation of nonasymptotically free theories, the Higgs phenomenon, or field theories that are not perturbatively renormalizable will be important research areas in the future

Internal Friction of Li7La3Zr2O12 Based Lithium Ionic Conductors

Directory of Open Access Journals (Sweden)

Wang X.P.

2016-03-01

Full Text Available The diffusion mechanisms of lithium ions in tetragonal phase as well as in Al and Nb stabilized cubic Li7La3Zr2O12 compounds were investigated by low-frequency internal friction technique. In the cubic Li7La3Zr2O12 phase, a remarkable relaxation-type internal friction peak PC with a peak height up to 0.12 was observed in the temperature range from 15°C to 60°C. In the tetragonal phase however, the height of the PT peak dropped to 0.01. The obvious difference of the relaxation strength between the cubic and tetragonal phases is due to the different distribution of lithium ions in lattice, ordered in the tetragonal phase and disordered in the cubic phase. Based on the crystalline structure of the cubic garnet-type Li7La3Zr2O12 compound, it is suggested that the high internal friction peak in the cubic phase may be attributed to two diffusion processes of lithium ions: 96h↔96h and 96h↔24d.

Bayesian Analysis of Geostatistical Models With an Auxiliary Lattice

KAUST Repository

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

Chiral perturbation theory for lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Baer, Oliver

2010-07-21

The formulation of chiral perturbation theory (ChPT) for lattice Quantum Chromodynamics (QCD) is reviewed. We start with brief summaries of ChPT for continuum QCD as well as the Symanzik effective theory for lattice QCD. We then review the formulation of ChPT for lattice QCD. After an additional chapter on partial quenching and mixed action theories various concrete applications are discussed: Wilson ChPT, staggered ChPT and Wilson ChPT with a twisted mass term. The remaining chapters deal with the epsilon regime with Wilson fermions and selected results in mixed action ChPT. Finally, the formulation of heavy vector meson ChPT with Wilson fermions is discussed. (orig.)

Chiral perturbation theory for lattice QCD

International Nuclear Information System (INIS)

Baer, Oliver

2010-01-01

The formulation of chiral perturbation theory (ChPT) for lattice Quantum Chromodynamics (QCD) is reviewed. We start with brief summaries of ChPT for continuum QCD as well as the Symanzik effective theory for lattice QCD. We then review the formulation of ChPT for lattice QCD. After an additional chapter on partial quenching and mixed action theories various concrete applications are discussed: Wilson ChPT, staggered ChPT and Wilson ChPT with a twisted mass term. The remaining chapters deal with the epsilon regime with Wilson fermions and selected results in mixed action ChPT. Finally, the formulation of heavy vector meson ChPT with Wilson fermions is discussed. (orig.)

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

Updated lattice results for parton distributions

International Nuclear Information System (INIS)

Alexandrou, Constantia; Cichy, Krzysztof; Hadjiyiannakou, Kyriakos; Jansen, Karl; Steffens, Fernanda; Wiese, Christian

2017-07-01

We provide an analysis of the x-dependence of the bare unpolarized, helicity and transversity iso-vector parton distribution functions (PDFs) from lattice calculations employing (maximally) twisted mass fermions. The x-dependence of the calculated PDFs resembles the one of the phenomenological parameterizations, a feature that makes this approach very promising. Furthermore, we apply momentum smearing for the relevant matrix elements to compute the lattice PDFs and find a large improvement factor when compared to conventional Gaussian smearing. This allows us to extend the lattice computation of the distributions to higher values of the nucleon momentum, which is essential for the prospects of a reliable extraction of the PDFs in the future.

Updated lattice results for parton distributions

Energy Technology Data Exchange (ETDEWEB)

Alexandrou, Constantia [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; The Cyprus Institute, Nicosia (Cyprus); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Poznan Univ. (Poland). Faculty of Physics; Constantinou, Martha [Temple Univ., Philadelphia, PA (United States); Hadjiyiannakou, Kyriakos [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Jansen, Karl; Steffens, Fernanda; Wiese, Christian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2017-07-15

We provide an analysis of the x-dependence of the bare unpolarized, helicity and transversity iso-vector parton distribution functions (PDFs) from lattice calculations employing (maximally) twisted mass fermions. The x-dependence of the calculated PDFs resembles the one of the phenomenological parameterizations, a feature that makes this approach very promising. Furthermore, we apply momentum smearing for the relevant matrix elements to compute the lattice PDFs and find a large improvement factor when compared to conventional Gaussian smearing. This allows us to extend the lattice computation of the distributions to higher values of the nucleon momentum, which is essential for the prospects of a reliable extraction of the PDFs in the future.

Wigner Functions on a Lattice

OpenAIRE

Takami, A.; Hashimoto, T.; Horibe, M.; Hayashi, A.

2000-01-01

The Wigner functions on the one dimensional lattice are studied. Contrary to the previous claim in literature, Wigner functions exist on the lattice with any number of sites, whether it is even or odd. There are infinitely many solutions satisfying the conditions which reasonable Wigner functions should respect. After presenting a heuristic method to obtain Wigner functions, we give the general form of the solutions. Quantum mechanical expectation values in terms of Wigner functions are also ...

Quantum lattice model solver HΦ

Science.gov (United States)

Kawamura, Mitsuaki; Yoshimi, Kazuyoshi; Misawa, Takahiro; Yamaji, Youhei; Todo, Synge; Kawashima, Naoki

2017-08-01

HΦ [aitch-phi ] is a program package based on the Lanczos-type eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with two-body interactions, including the Heisenberg model, the Kitaev model, the Hubbard model and the Kondo-lattice model. While it works well on PCs and PC-clusters, HΦ also runs efficiently on massively parallel computers, which considerably extends the tractable range of the system size. In addition, unlike most existing packages, HΦ supports finite-temperature calculations through the method of thermal pure quantum (TPQ) states. In this paper, we explain theoretical background and user-interface of HΦ. We also show the benchmark results of HΦ on supercomputers such as the K computer at RIKEN Advanced Institute for Computational Science (AICS) and SGI ICE XA (Sekirei) at the Institute for the Solid State Physics (ISSP).

Topological Nematic States and Non-Abelian Lattice Dislocations

Directory of Open Access Journals (Sweden)

Maissam Barkeshli

2012-08-01

Full Text Available An exciting new prospect in condensed matter physics is the possibility of realizing fractional quantum Hall states in simple lattice models without a large external magnetic field. A fundamental question is whether qualitatively new states can be realized on the lattice as compared with ordinary fractional quantum Hall states. Here we propose new symmetry-enriched topological states, topological nematic states, which are a dramatic consequence of the interplay between the lattice translational symmetry and topological properties of these fractional Chern insulators. The topological nematic states are realized in a partially filled flat band with a Chern number N, which can be mapped to an N-layer quantum Hall system on a regular lattice. However, in the topological nematic states the lattice dislocations can act as wormholes connecting the different layers and effectively change the topology of the space. Consequently, lattice dislocations become defects with a nontrivial quantum dimension, even when the fractional quantum Hall state being realized is, by itself, Abelian. Our proposal leads to the possibility of realizing the physics of topologically ordered states on high-genus surfaces in the lab even though the sample has only the disk geometry.

Topological Nematic States and Non-Abelian Lattice Dislocations

Science.gov (United States)

Barkeshli, Maissam; Qi, Xiao-Liang

2012-07-01

An exciting new prospect in condensed matter physics is the possibility of realizing fractional quantum Hall states in simple lattice models without a large external magnetic field. A fundamental question is whether qualitatively new states can be realized on the lattice as compared with ordinary fractional quantum Hall states. Here we propose new symmetry-enriched topological states, topological nematic states, which are a dramatic consequence of the interplay between the lattice translational symmetry and topological properties of these fractional Chern insulators. The topological nematic states are realized in a partially filled flat band with a Chern number N, which can be mapped to an N-layer quantum Hall system on a regular lattice. However, in the topological nematic states the lattice dislocations can act as wormholes connecting the different layers and effectively change the topology of the space. Consequently, lattice dislocations become defects with a nontrivial quantum dimension, even when the fractional quantum Hall state being realized is, by itself, Abelian. Our proposal leads to the possibility of realizing the physics of topologically ordered states on high-genus surfaces in the lab even though the sample has only the disk geometry.

Superfluidity of bosons on a deformable lattice

International Nuclear Information System (INIS)

Jackeli, G.; Ranninger, J.

2001-01-01

We study the superfluid properties of a system of interacting bosons on a lattice, which, moreover, are coupled to the vibrational modes of this lattice, treated here in terms of Einstein phonon modes. The ground state corresponds to two correlated condensates: that of the bosons and that of the phonons. Two competing effects determine the common collective sound-wave-like mode with sound velocity v, arising from gauge symmetry breaking. (i) The sound velocity v 0 (corresponding to a weakly interacting Bose system on a rigid lattice) in the lowest-order approximation is reduced due to reduction of the repulsive boson-boson interaction, arising from the attractive part of the phonon-mediated interaction in the static limit. (ii) The second-order correction to the sound velocity is enhanced as compared to that of bosons on a rigid lattice when the boson-phonon interaction is switched on due to the retarded nature of the phonon-mediated interaction. The overall effect is that the sound velocity is essentially unaffected by the coupling with phonons, indicating the robustness of the superfluid state. The induction of a coherent state in the phonon system driven by the condensation of the bosons could be of experimental significance, permitting spectroscopic detection of superfluid properties of bosons. Our results are based on an extension of the Beliaev-Popov formalism for a weakly interacting Bose gas on a rigid lattice to one on a deformable lattice with which it interacts

A low-emittance lattice for SPEAR

International Nuclear Information System (INIS)

Safranek, J.; Wiedemann, H.

1992-01-01

The design and implementation of a low emittance lattice for the SPEAR storage ring including measurements of the performance of the lattice are presented (J. Safranek, Ph. D. thesis, Stanford University, 1991). The low emittance lattice is designed to optimize the performance of SPEAR as a synchrotron radiation source while keeping SPEAR hardware changes at a minimum. The horizontal emittance of the electron beam in the low emittance lattice is reduced by a factor of 4 from the previous lattice. This reduces the typical horizontal source size and divergence of the photon beams by a factor of 2 each and increases the photon beam brightness. At 3 GeV the horizontal emittance is 129 π nm rad, which makes the low emittance lattice the lowest emittance, runnning synchroton radiation source in the world in the 1.5 to 4.0 GeV energy range for the emittance scaled to 3 GeV. The measured vertical emittance was reduced to half that typically seen at SPEAR in the past. The brightness of the photon beams was further incrased by reducing β y at the insertion devices to 1.1 m and reducing the energy dispersion at the insertion devices by more than a factor of 2 on average. The horizontal despersion at the rf cavities was reduced by a factor of nearly 4 which gives much less problems with synchrobetatron resonances. The dynamic and physical apertures of the lattice are large, giving long beam lifetimes and easy injection of electrons. The measurements of the linear optics and intensity dependent phenomena gave resonable agreement with the design . The overall performance of the machine was very good. Injection rates of 10 to 20 mA/min and larger were achieved routinely, and 100 mA total current was stored. Repeated ramping of stored beam from the injection energy of 2.3 GeV to the running energy of 3.0 GeV was achieved with very little beam loss. This low emittance configuration is expected to be the operating configuration for SPEAR starting in January 1992. (orig.)

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

Tadpole-improved SU(2) lattice gauge theory

Science.gov (United States)

Shakespeare, Norman H.; Trottier, Howard D.

1999-01-01

A comprehensive analysis of tadpole-improved SU(2) lattice gauge theory is made. Simulations are done on isotropic and anisotropic lattices, with and without improvement. Two tadpole renormalization schemes are employed, one using average plaquettes, the other using mean links in the Landau gauge. Simulations are done with spatial lattice spacings as in the range of about 0.1-0.4 fm. Results are presented for the static quark potential, the renormalized lattice anisotropy at/as (where at is the ``temporal'' lattice spacing), and for the scalar and tensor glueball masses. Tadpole improvement significantly reduces discretization errors in the static quark potential and in the scalar glueball mass, and results in very little renormalization of the bare anisotropy that is input to the action. We also find that tadpole improvement using mean links in the Landau gauge results in smaller discretization errors in the scalar glueball mass (as well as in the static quark potential), compared to when average plaquettes are used. The possibility is also raised that further improvement in the scalar glueball mass may result when the coefficients of the operators which correct for discretization errors in the action are computed beyond the tree level.

Techniques for transparent lattice measurement and correction

Science.gov (United States)

Cheng, Weixing; Li, Yongjun; Ha, Kiman

2017-07-01

A novel method has been successfully demonstrated at NSLS-II to characterize the lattice parameters with gated BPM turn-by-turn (TbT) capability. This method can be used at high current operation. Conventional lattice characterization and tuning are carried out at low current in dedicated machine studies which include beam-based measurement/correction of orbit, tune, dispersion, beta-beat, phase advance, coupling etc. At the NSLS-II storage ring, we observed lattice drifting during beam accumulation in user operation. Coupling and lifetime change while insertion device (ID) gaps are moved. With the new method, dynamical lattice correction is possible to achieve reliable and productive operations. A bunch-by-bunch feedback system excites a small fraction (∼1%) of bunches and gated BPMs are aligned to see those bunch motions. The gated TbT position data are used to characterize the lattice hence correction can be applied. As there are ∼1% of total charges disturbed for a short period of time (several ms), this method is transparent to general user operation. We demonstrated the effectiveness of these tools during high current user operation.

Thermoelectric properties of finite graphene antidot lattices

DEFF Research Database (Denmark)

Gunst, Tue; Markussen, Troels; Jauho, Antti-Pekka

2011-01-01

We present calculations of the electronic and thermal transport properties of graphene antidot lattices with a finite length along the transport direction. The calculations are based on the π-tight-binding model and the Brenner potential. We show that both electronic and thermal transport...... properties converge fast toward the bulk limit with increasing length of the lattice: only a few repetitions (≃6) of the fundamental unit cell are required to recover the electronic band gap of the infinite lattice as a transport gap for the finite lattice. We investigate how different antidot shapes...... and sizes affect the thermoelectric properties. The resulting thermoelectric figure of merit, ZT, can exceed 0.25, and it is highly sensitive to the atomic arrangement of the antidot edges. Specifically, hexagonal holes with pure armchair edges lead to an order-of-magnitude larger ZT as compared to pure...

Perturbative matching of continuum and lattice quasi-distributions

Directory of Open Access Journals (Sweden)

Ishikawa Tomomi

2018-01-01

Full Text Available Matching of the quasi parton distribution functions between continuum and lattice is addressed using lattice perturbation theory specifically withWilson-type fermions. The matching is done for nonlocal quark bilinear operators with a straightWilson line in a spatial direction. We also investigate operator mixing in the renormalization and possible O(a operators for the nonlocal operators based on a symmetry argument on lattice.

Vitreous veils and radial lattice in Marshall syndrome.

Science.gov (United States)

Brubaker, Jacob W; Mohney, Brian G; Pulido, Jose S; Babovic-Vuksanovic, Dusica

2008-12-01

To report the findings of membranous vitreous veils and radial lattice in a child with Marshall syndrome. Observational case report. Retrospective review of medical records and fundus photograph of a 6-year-old boy with Marshall syndrome. Vitreoretinal findings were significant for bilateral membranous vitreous veils and radial lattice degeneration. This case demonstrates the occurrence of vitreous veils and radial lattice degeneration in patients with Marshall syndrome.

Hydrothermal degradation of tetragonal ZrO2 ceramic components used in dental applications

International Nuclear Information System (INIS)

Mukaeda, L.E.; Robin, A.; Taguchi, S.P.

2009-01-01

With the evolution of the dental restoration techniques, a considerable growth in the demand of ceramic products occurred. These materials present good strength associated to reliability. In this work, micrometric and nanometric scale tetragonal ZrO 2 blocks were sintered at 1500 deg C-2h and 1350 deg C-2h, respectively, ground and polished. Ceramics with relative density higher than 98% were obtained. The specimens were immersed in hot water (150 deg C), for times ranging from 10h to 30h. The mass variation of the samples was measured and the crystalline phases present before and after the degradation tests were identified by X-ray diffractometry, in order to evaluate the capacity of these ceramics in resisting to aqueous medium exposure. Materials with nanometric structure present higher resistance to degradation than those with micrometric scale, and this interferes in structural stability after the test, and reduces the martensitic transformation. (author)

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.

Natural uranium lattice in heavy water

International Nuclear Information System (INIS)

Girard, Y.; Koechlin, J.C.; Moreau, J.; Naudet, R.

1959-01-01

A group of Laplacian determinations have been made under critical running conditions in a heavy water pile specially constructed to this end using either complete lattices or samples of lattices employing a two-zone method. The experimental equipment is briefly described: it has been devised to allow rapid modifications of the charge. The methods of measurement employed are also summarily described one operates either by flux charts in the case of lattices which are then used as references, or by progressive replacement of the bars by concentric rings and measurements of the reactivity. In this case, one attempts to obtain the difference between the material laplacian of the central unknown lattice and that of the reference lattice. The method has been specially develop ped to give precision. Results of Laplacian measurements for all these lattice types are presented, allowing the construction of a set of curves as a function of the separation. Various other effects have also been measured: the equivalent reactivity of a mm of water - anisotropy - temperature effect, etc. However in this first attack on the problem, the measurement of a large variety of Laplacian has been carried out, rather than careful measurements in particular cases. It is in this spirit that the interpretation of the results has been made. As a large number of very complex phenomena still escape the possibilities of the calculation, it is considered that a certain number of adjustments are necessary; now these can only give the desired efficiency in forecasting results if they refer to a sufficiently great number of experimental data. It is necessary then to connect the measurements closely on with the other whilst, at the same time, subdividing them according to logically deduced formulae. The principal source of trouble has been that of coherence. The rules governing the calculations employed in the interpretation of the data are given. In the first instance simple formula are used: first of

Statistical mechanics view of quantum chromodynamics: Lattice gauge theory

International Nuclear Information System (INIS)

Kogut, J.B.

1984-01-01

Recent developments in lattice gauge theory are discussed from a statistial mechanics viewpoint. The basic physics problems of quantum chromodynamics (QCD) are reviewed for an audience of critical phenomena theorists. The idea of local gauge symmetry and color, the connection between statistical mechanics and field theory, asymptotic freedom and the continuum limit of lattice gauge theories, and the order parameters (confinement and chiral symmetry) of QCD are reviewed. Then recent developments in the field are discussed. These include the proof of confinement in the lattice theory, numerical evidence for confinement in the continuum limit of lattice gauge theory, and perturbative improvement programs for lattice actions. Next, we turn to the new challenges facing the subject. These include the need for a better understanding of the lattice Dirac equation and recent progress in the development of numerical methods for fermions (the pseudofermion stochastic algorithm and the microcanonical, molecular dynamics equation of motion approach). Finally, some of the applications of lattice gauge theory to QCD spectrum calculations and the thermodynamics of QCD will be discussed and a few remarks concerning future directions of the field will be made

New edge-centered photonic square lattices with flat bands

Science.gov (United States)

Zhang, Da; Zhang, Yiqi; Zhong, Hua; Li, Changbiao; Zhang, Zhaoyang; Zhang, Yanpeng; Belić, Milivoj R.

2017-07-01

We report a new class of edge-centered photonic square lattices with multiple flat bands, and consider in detail two examples: the Lieb-5 and Lieb-7 lattices. In these lattices, there are 5 and 7 sites in the unit cell and in general, the number is restricted to odd integers. The number of flat bands m in the new Lieb lattices is related to the number of sites N in the unit cell by a simple formula m =(N - 1) / 2. The flat bands reported here are independent of the pseudomagnetic field. The properties of lattices with even and odd number of flat bands are different. We consider the localization of light in such Lieb lattices. If the input beam excites the flat-band mode, it will not diffract during propagation, owing to the strong mode localization. In the Lieb-7 lattice, the beam will also oscillate during propagation and still not diffract. The period of oscillation is determined by the energy difference between the two flat bands. This study provides a new platform for investigating light trapping, photonic topological insulators, and pseudospin-mediated vortex generation.

Origami lattices with free-form surface ornaments

NARCIS (Netherlands)

Janbaz, S.; Noordzij, N.; Widyaratih, Dwisetya Safirna; Hagen, C.W.; Fratila-Apachitei, E.L.; Zadpoor, A.A.

2017-01-01

Lattice structures are used in the design of metamaterials to achieve unusual physical, mechanical, or biological properties. The properties of such metamaterials result from the topology of the lattice structures, which are usually three-dimensionally (3D) printed. To incorporate advanced

Backlund transformations and three-dimensional lattice equations

NARCIS (Netherlands)

Nijhoff, F.W.; Capel, H.W.; Wiersma, G.L.; Quispel, G.R.W.

1984-01-01

A (nonlocal) linear integral equation is studied, which allows for Bäcklund transformations in the measure. The compatibility of three of these transformations leads to an integrable nonlinear three-dimensional lattice equation. In appropriate continuum limits the two-dimensional Toda-lattice

S-fuzzy Version of Stone's Theorem for Distributive Lattices

Institute of Scientific and Technical Information of China (English)

Y. S.Pawar; S. S.Khopade

2011-01-01

In this paper,we initiate a study of S-fuzzy ideal (filter) of a lattice where S stands for a meet semilattice.A S fuzzy prime ideal (filter) of a lattice is defined and it is proved that a S-fuzzy ideal (filter) of a lattice is S-fuzzy prime ideal (filter) if and only if any non-empty a-cut of it is a prime ideal (filter).Stone's theorem for a distributive lattice is extended by considering S-fuzzy ideals (filters).

Unconventional superconductivity in honeycomb lattice

Directory of Open Access Journals (Sweden)

P Sahebsara

2013-03-01

Full Text Available   ‎ The possibility of symmetrical s-wave superconductivity in the honeycomb lattice is studied within a strongly correlated regime, using the Hubbard model. The superconducting order parameter is defined by introducing the Green function, which is obtained by calculating the density of the electrons ‎ . In this study showed that the superconducting order parameter appears in doping interval between 0 and 0.5, and x=0.25 is the optimum doping for the s-wave superconductivity in honeycomb lattice.

Nuclear Physics from Lattice QCD

Energy Technology Data Exchange (ETDEWEB)

William Detmold, Silas Beane, Konstantinos Orginos, Martin Savage

2011-01-01

We review recent progress toward establishing lattice Quantum Chromodynamics as a predictive calculational framework for nuclear physics. A survey of the current techniques that are used to extract low-energy hadronic scattering amplitudes and interactions is followed by a review of recent two-body and few-body calculations by the NPLQCD collaboration and others. An outline of the nuclear physics that is expected to be accomplished with Lattice QCD in the next decade, along with estimates of the required computational resources, is presented.

Exact lattice supersymmetry: The two-dimensional N=2 Wess-Zumino model

International Nuclear Information System (INIS)

Catterall, Simon; Karamov, Sergey

2002-01-01

We study the two-dimensional Wess-Zumino model with extended N=2 supersymmetry on the lattice. The lattice prescription we choose has the merit of preserving exactly a single supersymmetric invariance at finite lattice spacing a. Furthermore, we construct three other transformations of the lattice fields under which the variation of the lattice action vanishes to O(ga 2 ) where g is a typical interaction coupling. These four transformations correspond to the two Majorana supercharges of the continuum theory. We also derive lattice Ward identities corresponding to these exact and approximate symmetries. We use dynamical fermion simulations to check the equality of the mass gaps in the boson and fermion sectors and to check the lattice Ward identities. At least for weak coupling we see no problems associated with a lack of reflection positivity in the lattice action and find good agreement with theory. At strong coupling we provide evidence that problems associated with a lack of reflection positivity are evaded for small enough lattice spacing

Thickness-modulated anisotropic ferromagnetism in Fe-doped epitaxial HfO2 thin films

Science.gov (United States)

Liu, Wenlong; Liu, Ming; Zhang, Ruyi; Ma, Rong; Wang, Hong

2017-10-01

Epitaxial tetragonal Fe-doped Hf0.95Fe0.05O2 (FHO) thin films with various thicknesses were deposited on (001)-oriented NdCaAlO4 (NCAO) substrates by using a pulsed laser deposition (PLD) system. The crystal structure and epitaxial nature of the FHO thin films were confirmed by typical x-ray diffraction (XRD) θ-2θ scan and reciprocal space mapping (RSM). The results indicate that two sets of lattice sites exist with two different crystal orientations [(001) and (100)] in the thicker FHO thin films. Further, the intensity of the (100) direction increases with the increase in thicknesses, which should have a significant effect on the anisotropic magnetization of the FHO thin films. Meanwhile, all the FHO thin films possess a tetragonal phase structure. An anisotropy behavior in magnetization has been observed in the FHO thin films. The anisotropic magnetization of the FHO thin films is slowly weakened as the thickness increases. Meanwhile, the saturation magnetization (Ms) of both in-plane and out-of-plane decreases with the increase in the thickness. The change in the anisotropic magnetization and Ms is attributed to the crystal lattice and the variation in the valence of Fe ions. These results indicate that the thickness-modulated anisotropic ferromagnetism of the tetragonal FHO epitaxial thin films is of potential use for the integration of metal-oxide semiconductors with spintronics.

Composition dependence of electric-field-induced structure of Bi{sub 1/2}(Na{sub 1−x}K{sub x}){sub 1/2}TiO{sub 3} lead-free piezoelectric ceramics

Energy Technology Data Exchange (ETDEWEB)

Khansur, Neamul H. [School of Materials Science and Engineering, UNSW Australia, 2052 Sydney (Australia); Department of Materials Science, University of Erlangen-Nürnberg, Erlangen 91058 (Germany); Benton, Rachel [Department of Chemical and Biomolecular Engineering, North Carolina State University, North Carolina 27695 (United States); Dinh, Thi Hinh; Lee, Jae-Shin [School of Materials Science and Engineering, University of Ulsan, Ulsan 680-749 (Korea, Republic of); Jones, Jacob L. [Department of Materials Science and Engineering, North Carolina State University, North Carolina 27695 (United States); Daniels, John E. [School of Materials Science and Engineering, UNSW Australia, 2052 Sydney (Australia)

2016-06-21

Microscopic origins of the electric-field-induced strain for three compositions of Bi{sub 1/2}(Na{sub 1−x}K{sub x}){sub 1/2}TiO{sub 3} (x = 0.14, 0.18, and 0.22) (BNKT100x) ceramics have been compared using in situ high-energy (87.12 keV) X-ray diffraction. In the as-processed state, average crystallographic structure of BNKT14 and BNKT18 were found to be of rhombohedral symmetry, while BNKT22 was tetragonal. Diffraction data collected under electric field showed that both the BNKT14 and BNKT18 exhibit induced lattice strain and non-180° ferroelectric domain switching without any apparent phase transformation. The BNKT22 composition, in addition to the lattice strain and domain switching, showed an electric-field-induced transformation from a tetragonal to mixed tetragonal-rhombohedral state. Despite the difference in the origin of microscopic strain responses in these compositions, the measured macroscopic poling strains of 0.46% (BNKT14), 0.43% (BNKT18), and 0.44% (BNKT22) are similar. In addition, the application of a second poling field of opposite polarity to the first increased the magnitude of non-180° ferroelectric domain texture. This was suggested to be related to the existence of an asymmetric internal bias field.

Determining the Mechanical Properties of Lattice Block Structures

Science.gov (United States)

Wilmoth, Nathan

2013-01-01

Lattice block structures and shape memory alloys possess several traits ideal for solving intriguing new engineering problems in industries such as aerospace, military, and transportation. Recent testing at the NASA Glenn Research Center has investigated the material properties of lattice block structures cast from a conventional aerospace titanium alloy as well as lattice block structures cast from nickel-titanium shape memory alloy. The lattice block structures for both materials were sectioned into smaller subelements for tension and compression testing. The results from the cast conventional titanium material showed that the expected mechanical properties were maintained. The shape memory alloy material was found to be extremely brittle from the casting process and only compression testing was completed. Future shape memory alloy lattice block structures will utilize an adjusted material composition that will provide a better quality casting. The testing effort resulted in baseline mechanical property data from the conventional titanium material for comparison to shape memory alloy materials once suitable castings are available.

Determining the asymptotic buckling for the reference RB reactor lattice

International Nuclear Information System (INIS)

Martinc, R.; Sotic, O.

1969-01-01

Material buckling was measured for reference lattice of the heavy water reflected system with 2% enriched uranium fuel. Experiments were done for cores with lattice pitch values: 8, 8√2, i 16 cm. Each of these cores had heavy water reflector, as well as active reflector - heavy water lattice with natural uranium fuel. The core was reflected by natural uranium lattice in order to approach asymptotic regime in the central zone. Buckling values obtained with the natural uranium lattice as reflector are, as a rule, lower then in case of heavy water reflector [sr

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

Lattice QCD for nuclear physics

CERN Document Server

Meyer, Harvey

2015-01-01

With ever increasing computational resources and improvements in algorithms, new opportunities are emerging for lattice gauge theory to address key questions in strongly interacting systems, such as nuclear matter. Calculations today use dynamical gauge-field ensembles with degenerate light up/down quarks and the strange quark and it is possible now to consider including charm-quark degrees of freedom in the QCD vacuum. Pion masses and other sources of systematic error, such as finite-volume and discretization effects, are beginning to be quantified systematically. Altogether, an era of precision calculation has begun, and many new observables will be calculated at the new computational facilities.  The aim of this set of lectures is to provide graduate students with a grounding in the application of lattice gauge theory methods to strongly interacting systems, and in particular to nuclear physics.  A wide variety of topics are covered, including continuum field theory, lattice discretizations, hadron spect...

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

Effective field theory of interactions on the lattice

DEFF Research Database (Denmark)

Valiente, Manuel; Zinner, Nikolaj T.

2015-01-01

We consider renormalization of effective field theory interactions by discretizing the continuum on a tight-binding lattice. After studying the one-dimensional problem, we address s-wave collisions in three dimensions and relate the bare lattice coupling constants to the continuum coupling consta...... constants. Our method constitutes a very simple avenue for the systematic renormalization in effective field theory, and is especially useful as the number of interaction parameters increases.......We consider renormalization of effective field theory interactions by discretizing the continuum on a tight-binding lattice. After studying the one-dimensional problem, we address s-wave collisions in three dimensions and relate the bare lattice coupling constants to the continuum coupling...

New capabilities of the lattice code WIMS-AECL

International Nuclear Information System (INIS)

Altiparmakov, Dimitar

2008-01-01

The lattice code WIMS-AECL has been restructured and rewritten in Fortran 95 in order to increase the accuracy of its responses and extend its capabilities. Significant changes of computing algorithms have been made in the following two areas: geometric calculations and resonance self-shielding. Among various geometry enhancements, the code is no longer restricted to deal with single lattice cell problems. The multi-cell capability allows modelling of various lattice structures such as checkerboard lattices, a de-fuelled channel, and core-reflector interface problems. The new resonance method performs distributed resonance self-shielding including the skin effect. This paper describes the main code changes and presents selected code verification results. (authors)

Finite-lattice form factors in free-fermion models

International Nuclear Information System (INIS)

Iorgov, N; Lisovyy, O

2011-01-01

We consider the general Z 2 -symmetric free-fermion model on the finite periodic lattice, which includes as special cases the Ising model on the square and triangular lattices and the Z n -symmetric BBS τ (2) -model with n = 2. Translating Kaufman's fermionic approach to diagonalization of Ising-like transfer matrices into the language of Grassmann integrals, we determine the transfer matrix eigenvectors and observe that they coincide with the eigenvectors of a square lattice Ising transfer matrix. This allows us to find exact finite-lattice form factors of spin operators for the statistical model and the associated finite-length quantum chains, of which the most general is equivalent to the XY chain in a transverse field

On d -Dimensional Lattice (co)sine n -Algebra

International Nuclear Information System (INIS)

Yao Shao-Kui; Zhang Chun-Hong; Zhao Wei-Zhong; Ding Lu; Liu Peng

2016-01-01

We present the (co)sine n-algebra which is indexed by the d-dimensional integer lattice. Due to the associative operators, this generalized (co)sine n-algebra is the higher order Lie algebra for the n even case. The particular cases are the d-dimensional lattice sine 3 and cosine 5-algebras with the special parameter values. We find that the corresponding d-dimensional lattice sine 3 and cosine 5-algebras are the Nambu 3-algebra and higher order Lie algebra, respectively. The limiting case of the d-dimensional lattice (co)sine n-algebra is also discussed. Moreover we construct the super sine n-algebra, which is the super higher order Lie algebra for the n even case. (paper)

Hamiltonian lattice studies of chiral meson field theories

International Nuclear Information System (INIS)

Chin, S.A.

1998-01-01

The latticization of the non-linear sigma model reduces a chiral meson field theory to an O(4) spin lattice system with quantum fluctuations. The result is an interesting marriage between quantum many-body theory and classical spin systems. By solving the resulting lattice Hamiltonian by Monte Carlo methods, the dynamics and thermodynamics of pions can be determined non-perturbatively. In a variational 16 3 lattice study, the ground state chiral phase transition is shown to be first order. Moreover, as the chiral phase transition is approached, the mass gap of pionic collective modes with quantum number of the ω vector meson drops toward zero. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

Wess-Zumino-Witten term on the lattice

International Nuclear Information System (INIS)

Fujiwara, Takanori; Suzuki, Hiroshi; Matsui, Kosuke; Yamamoto, Masaru

2003-01-01

We construct the Wess-Zumino-Witten (WZW) term in lattice gauge theory by using a Dirac operator which obeys the Ginsparg-Wilson relation. Topological properties of the WZW term known in the continuum are reproduced on the lattice as a consequence of a non-trivial topological structure of the space of admissible lattice gauge fields. In the course of this analysis, we observe that the gauge anomaly generally implies that there is no basis of a Weyl fermion which leads to a single-valued expectation value in the fermion sector. The lattice Witten term, which carries information of a gauge path along which the gauge anomaly is integrated, is separated from the WZW term and the multivaluedness of the Witten term is shown to be related to the homotopy group π 2n+1 (G). We also discuss the global SU(2) anomaly on the basis of the WZW term. (author)

Renormalization transformation of periodic and aperiodic lattices

International Nuclear Information System (INIS)

Macia, Enrique; Rodriguez-Oliveros, Rogelio

2006-01-01

In this work we introduce a similarity transformation acting on transfer matrices describing the propagation of elementary excitations through either periodic or Fibonacci lattices. The proposed transformation can act at two different scale lengths. At the atomic scale the transformation allows one to express the systems' global transfer matrix in terms of an equivalent on-site model one. Correlation effects among different hopping terms are described by a series of local phase factors in that case. When acting on larger scale lengths, corresponding to short segments of the original lattice, the similarity transformation can be properly regarded as describing an effective renormalization of the chain. The nature of the resulting renormalized lattice significantly depends on the kind of order (i.e., periodic or quasiperiodic) of the original lattice, expressing a delicate balance between chemical complexity and topological order as a consequence of the renormalization process

On the Wiener Polarity Index of Lattice Networks.

Science.gov (United States)

Chen, Lin; Li, Tao; Liu, Jinfeng; Shi, Yongtang; Wang, Hua

2016-01-01

Network structures are everywhere, including but not limited to applications in biological, physical and social sciences, information technology, and optimization. Network robustness is of crucial importance in all such applications. Research on this topic relies on finding a suitable measure and use this measure to quantify network robustness. A number of distance-based graph invariants, also known as topological indices, have recently been incorporated as descriptors of complex networks. Among them the Wiener type indices are the most well known and commonly used such descriptors. As one of the fundamental variants of the original Wiener index, the Wiener polarity index has been introduced for a long time and known to be related to the cluster coefficient of networks. In this paper, we consider the value of the Wiener polarity index of lattice networks, a common network structure known for its simplicity and symmetric structure. We first present a simple general formula for computing the Wiener polarity index of any graph. Using this formula, together with the symmetric and recursive topology of lattice networks, we provide explicit formulas of the Wiener polarity index of the square lattices, the hexagonal lattices, the triangular lattices, and the 33 ⋅ 42 lattices. We also comment on potential future research topics.

Lattice-Boltzmann scheme for natural convection in porous media

NARCIS (Netherlands)

Sman, van der R.G.M.

1997-01-01

A lattice-Boltzmann scheme for natural convection in porous media is developed and applied to the heat transfer problem of a 1000 kg potato packaging. The scheme has features new to the field of LB schemes. It is mapped on a orthorhombic lattice instead of the traditional cubic lattice. Furthermore

Development of an elevated temperature aluminum alloy containing Al3X-type dispersed phases

International Nuclear Information System (INIS)

Zedalis, M.S.

1985-01-01

The extents of solid solubility in the equilibrium, tetragonal Al 3 X-type dispersed phases (X represents binary and ternary combinations of Hf, Ti, V, and Zr) were examined using powder x-ray diffraction methods. Minimum lattice disregistry (delta) with the Al(ss) matrix was achieved by maximizing the amount of Ti or V added to the Al 3 Hf and/or Al 3 Zr phases without forming a co-intermetallic compound exhibiting a DO 22 crystal structure. In comparison to Al 3 Zr, with a (delta) equal to 2.88%, the addition of V to Al 3 Zr in the ratio 7:1, i.e., Al 3 (v/sub 0.875/Zr/sub 0.125/), results in a decrease in (delta) by approximately 17%. Electron diffraction revealed that the addition of V to the metastable cubic (L1 2 ) Al 3 Zr phase also resulted in a reduction in the lattice disregistry across the precipitate/matrix boundary. In comparison with the cubic Al 3 Zr phase, with a (delta) of approximately 1.0%, the Al 3 (V/sub 0.875/Zr/sub 0.125/) phase exhibits a mismatch of approximately -0.14%. The cubic Al 3 (V/sub 0.875/Zr/sub 0.125/) phase was observed by TEM to be substantially more stable, i.e., resist transformation to the equilibrium tetragonal phase, when compared to the cubic Al 3 Zr phase. It is proposed that a reduction in lattice disregistry results in a decrease in the strain energy component of the system's total free energy. A systematic decrease in the coarsening rate with a reduction in the lattice disregistry for the cubic Al 3 Zr, Al 3 (V/sub 0.725/Zr/sub 0.275/) and Al 3 (V/sub 0.875/Zr/sub 0.125/) and tetragonal Al 3 Zr and Al 3 (V/sub 0.875/Zr/sub 0.125/) phases is proposed to be representative of a decrease in the interfacial energy across the precipitate/matrix boundary

Local Chemical Ordering and Negative Thermal Expansion in PtNi Alloy Nanoparticles.

Science.gov (United States)

Li, Qiang; Zhu, He; Zheng, Lirong; Fan, Longlong; Wang, Na; Rong, Yangchun; Ren, Yang; Chen, Jun; Deng, Jinxia; Xing, Xianran

2017-12-13

An atomic insight into the local chemical ordering and lattice strain is particular interesting to recent emerging bimetallic nanocatalysts such as PtNi alloys. Here, we reported the atomic distribution, chemical environment, and lattice thermal evolution in full-scale structural description of PtNi alloy nanoparticles (NPs). The different segregation of elements in the well-faceted PtNi nanoparticles is convinced by extended X-ray absorption fine structure (EXAFS). Atomic pair distribution function (PDF) study evidences the coexistence of the face-centered cubic and tetragonal ordering parts in the local environment of PtNi nanoparticles. Further reverse Monte Carlo (RMC) simulation with PDF data obviously exposed the segregation as Ni and Pt in the centers of {111} and {001} facets, respectively. Layer-by-layer statistical analysis up to 6 nm for the local atomic pairs revealed the distribution of local tetragonal ordering on the surface. This local coordination environment facilitates the distribution of heteroatomic Pt-Ni pairs, which plays an important role in the negative thermal expansion of Pt 41 Ni 59 NPs. The present study on PtNi alloy NPs from local short-range coordination to long-range average lattice provides a new perspective on tailoring physical properties in nanomaterials.

Chiral symmetry on the lattice

International Nuclear Information System (INIS)

Creutz, M.

1994-11-01

The author reviews some of the difficulties associated with chiral symmetry in the context of a lattice regulator. The author discusses the structure of Wilson Fermions when the hopping parameter is in the vicinity of its critical value. Here one flavor contrasts sharply with the case of more, where a residual chiral symmetry survives anomalies. The author briefly discusses the surface mode approach, the use of mirror Fermions to cancel anomalies, and finally speculates on the problems with lattice versions of the standard model

Lattice expansion of carbon-stabilized expanded austenite

DEFF Research Database (Denmark)

Hummelshøj, Thomas Strabo; Christiansen, Thomas; Somers, Marcel A. J.

2010-01-01

The lattice parameter of expanded austenite was determined as a function of the content of interstitially dissolved carbon in homogeneous, carburized thin stainless steel foils. For the first time this expansion of the face-centered cubic lattice is determined on unstrained austenite. It is found...

Toughening behavior in ceramics associated with the transformation of tetragonal ZrO/sub 2/

International Nuclear Information System (INIS)

Becher, P.F.

1986-01-01

The contribution of the stress-induced phase transformation ZrO/sub 2/ to the fracture toughness of ceramics is described in terms of the zone size, the critical transformation stress and the influence of these parameters on the tetragonal to monoclinic transformation. For example in partially stabilized zirconia (PSZ), the ΔK/sub lC//sup T/ is shown to depend upon the martensite start (M/sub s/) temperature, which can be altered by the solute content and the particle or precipitate size. This behavior is consistent with the thermodynamics of the transformation. Experimental data correspond to the behavior predicted for various systems toughened by the addition of tetragonal ZrO/sub 2/ [e.g. PSZ and Al/sub 2/O/sub 3/-Z/sub 4/O/sub 2/(Y/sub 2/O/sub 3/). The stress required to transform the ZrO/sub 2/ is also modified by residual stresses due to the mismatch in matrix and particle (esp. thermal expansion) properties in the composite systems. The total residual stress acting on a particle is the sum of the particle's internal stress and the stress field of neighboring particles, and as a result, the total residual stress increases with volume fraction of ZrO/sub 2/ (V/sub f/). In the case of the Al/sub 2/O/sub 3/-ZrO/sub 2/ composites the pertinent stresses are tensile in character and thus promote the ZrO/sub 2/ transformation as V/sub f/ increases] For each level of Y/sub 2/O/sub 3/ in the ZrO/sub 2/, ΔK/sub lc//sup T/ then goes through a maximum with increase in V/sub f/ at a value of V/sub f/ where σ/sub R//sup T/ - σ/sub C//sup T/. The critical transformation stress is thus described for different levels of solute (e.g. Y/sub 2/O/sub 3/) in the ZrO/sub 2/. The dependence of ΔK/sub lc//sup T/ upon (σ/sub C//sup T/ - σ/sub R//sup T/) obtained is found to agree with the predicted behavior

Continuum gauge fields from lattice gauge fields

International Nuclear Information System (INIS)

Goeckeler, M.; Kronfeld, A.S.; Schierholz, G.; Wiese, U.J.

1993-01-01

On the lattice some of the salient features of pure gauge theories and of gauge theories with fermions in complex representations of the gauge group seem to be lost. These features can be recovered by considering part of the theory in the continuum. The prerequisite for that is the construction of continuum gauge fields from lattice gauge fields. Such a construction, which is gauge covariant and complies with geometrical constructions of the topological charge on the lattice, is given in this paper. The procedure is explicitly carried out in the U(1) theory in two dimensions, where it leads to simple results. (orig.)

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

Pawlak algebra and approximate structure on fuzzy lattice.

Science.gov (United States)

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.

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 .

Multi-Quarks and Two-Baryon Interaction in Lattice QCD

International Nuclear Information System (INIS)

Okiharu, F.; Suganuma, H.; Takahashi, T. T.; Doi, T.

2006-01-01

We study multi-quark (3Q,4Q,5Q) systems in lattice QCD. We perform the detailed studies of multi-quark potentials in lattice QCD to clarify the inter-quark interaction in multi-quark systems. We find that all the multi-quark potentials are well described by the OGE Coulomb plus multi-Y-type linear potential, i.e., the multi-Y Ansatz. For multi-quark systems, we observe lattice QCD evidences of 'flip-flop', i.e., flux-tube recombination. These lattice QCD studies give an important bridge between elementary particle physics and nuclear physics

Structure and properties of quarternary and tetragonal Heusler compounds for spintronics and spin transver torque applications

Energy Technology Data Exchange (ETDEWEB)

Zamani, Vajiheh Alijani

2012-03-07

shown that the series Mn{sub 3-x}Co{sub x}Ga crystallizes in the inverse tetragonal structure, for x=0.1-0.4 and in the cubic inverse Heusler structure, for x=0.6-1. In this series, while the tetragonal alloys, hard magnets, exhibit the features typically attractive for STT applications, the cubic systems, soft magnets, present 100% spin polarized materials obeying the Slater-Pauling rule. In Mn{sub 2-x}Rh{sub 1+x}Sn series, Mn{sub 2}RhSn crystallizes in the inverse tetragonal structure, shows a hard-magnetic hysteresis loop and does not follow the Slater-Pauling rule. With substituting Mn by Rh, the inverse cubic structure is observed. All cubic samples show perfect Slater-Pauling behavior and a soft hysteresis loop.

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

Science.gov (United States)

Teschke, Omar; Soares, David Mendez

2017-10-01

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

Unorthodox lattice fermion derivatives and their shortcomings

International Nuclear Information System (INIS)

Bodwin, G.T.; Kovacs, E.V.

1987-01-01

We discuss the DWY (Lagrangian), Quinn-Weinstein, and Rebbi proposals for incorporating fermions into lattice gauge theory and analyze them in the context of weak coupling perturbation theory. We find that none of these proposals leads to a completely satisfactory lattice transcription of fully-interacting gauge theory

Precise determination of lattice phase shifts and mixing angles

Energy Technology Data Exchange (ETDEWEB)

Lu, Bing-Nan, E-mail: b.lu@fz-juelich.de [Institute for Advanced Simulation, Institut für Kernphysik, and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Lähde, Timo A. [Institute for Advanced Simulation, Institut für Kernphysik, and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); Lee, Dean [Department of Physics, North Carolina State University, Raleigh, NC 27695 (United States); Meißner, Ulf-G. [Helmholtz-Institut für Strahlen- und Kernphysik and Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany); Institute for Advanced Simulation, Institut für Kernphysik, and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); JARA – High Performance Computing, Forschungszentrum Jülich, D-52425 Jülich (Germany)

2016-09-10

We introduce a general and accurate method for determining lattice phase shifts and mixing angles, which is applicable to arbitrary, non-cubic lattices. Our method combines angular momentum projection, spherical wall boundaries and an adjustable auxiliary potential. This allows us to construct radial lattice wave functions and to determine phase shifts at arbitrary energies. For coupled partial waves, we use a complex-valued auxiliary potential that breaks time-reversal invariance. We benchmark our method using a system of two spin-1/2 particles interacting through a finite-range potential with a strong tensor component. We are able to extract phase shifts and mixing angles for all angular momenta and energies, with precision greater than that of extant methods. We discuss a wide range of applications from nuclear lattice simulations to optical lattice experiments.