WorldWideScience

Sample records for tetragonal lattices

  1. Lattice vibrations and cubic to tetragonal phase transition in ZrO2

    International Nuclear Information System (INIS)

    Negita, K.

    1989-01-01

    On the basis of analyses of phonon modes in ZrO 2 , it is suggested that condensation of a phonon X 2 - at the cubic Brillouin zone boundary X point, (0, 0, 2 π/a), is associated with the cubic to tetragonal phase transition in ZrO 2 . Free energy consideration shows that spontaneous volume and shear strains, e Alg = (e 1 +e 2 +e 3 ) and e Eg = (2e 3 - e 1 - e 2 )/ Λ3, are induced in the tetragonal phase as a result of indirect couplings of the X 2 - mode to homogeneous elastic strains; the tetragonal phase is improper ferroelastic

  2. Calculation of lattice sums and electrical field gradients for the rhombic and tetragonal phases of YBa2Cu3Ox

    International Nuclear Information System (INIS)

    Lyubutin, I.S.; Terziev, V.G.; Gor'kov, V.P.

    1989-01-01

    The point charge model is used to calculate the lattice sums and determine the electrical field gradients (EFG) as well as the asymmetry parameters η for all cation sites of the rhombic and tetragonal phases of the superconductor YBa 2 Cu 3 O x . The cases of copper of different valency at the Cu 1 sites are considered separately and EFG and η values are calculated in the vicinity of local defects caused by differences in the number and ordering of the oxygen vacancies at the Cu1 sites

  3. Synthesis and electrical conductivity of nanocrystalline tetragonal FeS

    International Nuclear Information System (INIS)

    Zeng Shu-Lin; Wang Hui-Xian; Dong Cheng

    2014-01-01

    A convenient method for synthesis of tetragonal FeS using iron powder as iron source, is reported. Nanocrystalline tetragonal FeS samples were successfully synthesized by reacting metallic iron powder with sodium sulfide in acetate buffer solution. The obtained sample is single-phase tetragonal FeS with lattice parameters a = 0.3767 nm and c = 0.5037 nm, as revealed by X-ray diffraction. The sample consists of flat nanosheets with lateral dimensions from 20 nm up to 200 nm and average thickness of about 20 nm. We found that tetragonal FeS is a fairly good conductor from the electrical resistivity measurement on a pellet of the nanosheets. The temperature dependence of conductivity of the pellet was well fitted using an empirical equation wherein the effect of different grain boundaries was taken into consideration. This study provides a convenient, economic way to synthesize tetragonal FeS in a large scale and reports the first electrical conductivity data for tetragonal FeS down to liquid helium temperature. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  4. On the Tetragonal Forms of KMo 4O 6

    Science.gov (United States)

    McCarroll, W. H.; Ramanujachary, K. V.; Greenblatt, M.; Marsh, Richard E.

    1995-06-01

    A reexamination of the X-ray diffraction data for the tetragonal form of KMo4O6 prepared by fused salt electrolysis leads to the conclusion that the crystal structure is better described by using space group P 4/mbm and not P4¯ as previously reported. However, refinement in the new space group does not result in any significant changes in the atomic arrangement. Possible reasons for the significant difference between the c lattice parameter of this form of KMo4O6 and that prepared at high pressures are also discussed.

  5. Thermodynamic analysis of the formation of tetragonal bainite in steels

    Science.gov (United States)

    Mirzayev, D. A.; Mirzoev, A. A.; Buldashev, I. V.; Okishev, K. Yu.

    2017-06-01

    In the articles of Bkhadeshia, a new class of high-strength steels based on the structure of carbidefree bainite with an enhanced carbon content has been developed. According to Bkhadeshia, the main factor responsible for the high solubility of carbon is the occurrence of a tetragonality of the bainite lattice. To check this effect, in this article, the theory of tetragonality of martensite of iron alloys developed by Zener and Khachaturyan was applied to bainite under the assumption that the precipitation of carbides is prohibited. Equations for the chemical potentials of carbon and iron in austenite and in tetragonal ferrite have been derived. The equilibrium of these phases has been considered, and the calculations of the boundary concentrations of carbon and iron at different temperatures (300-1000 K) and at different parameters of the deformation interaction λ0 have been performed. The rigorous calculations confirmed Bkhadeshia's hypothesis that the suppression of the carbide formation during the formation of bainite leads to an increase in the carbon solubility in the bcc phase.

  6. 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)

  7. Crystal Structure of Tetragonal Form of La2NiO4+x

    Science.gov (United States)

    Kajitani, Tsuyoshi; Hosoya, Syoichi; Hirabayashi, Makoto; Fukuda, Tsuguo; Onozuka, Takashi

    1989-10-01

    The crystal structure of the title oxide was studied by means of the X-ray and neutron single crystal diffraction measurements. At room temperature, the tetragonal crystal structure is P42/ncm-type (No. 138), which is one of the subgroup of the space group I4/mmm. The lattice parameters of a sample annealed and slowly cooled in oxygen atmosphere from 673 K are a{=}b{=}5.4640(1) Å and c{=}12.6719(2) Å, while the oxygen content, x{=}0.10(4), was determined from obtained neutron data. The title oxide undergoes a tetragonal (P42/ncm)/tetragonal (I4/mmm) phase transition at about 560 K. The transition temperature is almost identical both in the annealed and as-grown crystals.

  8. Texture of poled tetragonal PZT detected by synchrotron X-ray diffraction and micromechanics analysis

    International Nuclear Information System (INIS)

    Hall, D.A.; Steuwer, A.; Cherdhirunkorn, B.; Withers, P.J.; Mori, T.

    2005-01-01

    The texture and lattice elastic strain due to electrical poling of tetragonal PZT (lead zirconate titanate) ceramics have been measured using high energy synchrotron X-ray diffraction. It is shown that XRD peak intensity ratios associated with crystal planes of the form {002}, {112} and {202} exhibit a linear dependence on cos-bar 2 Ψ, where Ψ represents the orientation angle between the plane normal and the macroscopic poling axis. The observed dependence of texture and lattice strain on the grain orientation can be understood on the basis that the macroscopic strain due to poling is the average of the poling strains of all the individual grains

  9. 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

  10. 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.

  11. Stabilization of metastable tetragonal zirconia nanocrystallites by surface modification

    DEFF Research Database (Denmark)

    Nielsen, Mette Skovgaard; Almdal, Kristoffer; Lelieveld, A. van

    2011-01-01

    Metastable tetragonal zirconia nanocrystallites were studied in humid air and in water at room temperature (RT). A stabilizing effect of different surfactants on the tetragonal phase was observed. Furthermore, the phase stability of silanized metastable tetragonal zirconia nanocrystallites was te...... exposure to humidity. Only silanes and phosphate esters of these were able to stabilize the tetragonal phase in water. Even as small amounts of silanes as 0.25 silane molecule per nm2 are able to stabilize the tetragonal phase in water at RT. Aminopropyl trimethoxy silane and γ...

  12. First-principles cluster variation calculations of tetragonal-cubic transition in ZrO2

    International Nuclear Information System (INIS)

    Mohri, Tetsuo; Chen, Ying; Kiyokane, Naoya

    2013-01-01

    Highlights: ► Cluster variation method is extended to study displacive transition. ► Electronic structure total energy calculations are performed on ZrO2. ► Tetragonal-cubic transition is studied within the framework of order -disorder transition. -- Abstract: It is attempted to extend the basic idea of continuous displacement cluster variation method (CDCVM) to the study of a displacive phase transition. As a preliminary study, we focus on cubic to tetragonal transition in ZrO 2 in which oxygen atoms on the cubic lattice are displaced alternatively in the opposite direction (upward and downward) along the tetragonal axis. Within the CDCVM, displaced atoms are regarded as different atomic species, and two distinguished atoms, A-oxygen (upward shifting) and B-oxygen (downward shifting), are introduced in the description of the free energy. FLAPW electronic structure total energy calculations are performed to extract effective interaction energies among displaced oxygen atoms, and by combing them with CDCVM, the transition temperature is calculated from the first-principles

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  14. 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.)

  15. Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO 2 Nanowires

    KAUST Repository

    Asayesh-Ardakani, Hasti

    2015-10-12

    There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WVO nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122¯) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

  16. Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO2 Nanowires.

    Science.gov (United States)

    Asayesh-Ardakani, Hasti; Nie, Anmin; Marley, Peter M; Zhu, Yihan; Phillips, Patrick J; Singh, Sujay; Mashayek, Farzad; Sambandamurthy, Ganapathy; Low, Ke-Bin; Klie, Robert F; Banerjee, Sarbajit; Odegard, Gregory M; Shahbazian-Yassar, Reza

    2015-11-11

    There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO2) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO2 are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WxV1-xO2 nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122̅) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO2 structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

  17. Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO 2 Nanowires

    KAUST Repository

    Asayesh-Ardakani, Hasti; Nie, Anmin; Marley, Peter M.; Zhu, Yihan; Phillips, Patrick J.; Singh, Sujay; Mashayek, Farzad; Sambandamurthy, Ganapathy; Low, Ke Bin; Klie, Robert F.; Banerjee, Sarbajit; Odegard, Gregory M.; Shahbazian-Yassar, Reza

    2015-01-01

    There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WVO nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122¯) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

  18. 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

  19. Is there an ordered tetragonal phase in the Ti3Al-Nb system?

    International Nuclear Information System (INIS)

    Banerjee, D.

    1994-01-01

    In a recent series of papers, describing aging transformations in plasma sprayed Ti-24Al-11Nb, Hsiung and co-workers proposed a new ordered tetragonal structure as the first metastable phase to form in a series of transformations from quenched-in B2 to the equilibrium phase. They describe this new phase as a ''DO 3 like tetragonal structure'' with a composition Ti 5 Al 2 Nb, and lattice parameters, a = 0.65 nm and c/a ≅ 1.02. Their unit cell is constituted by 8 bcc unit cells, and the atomic coordinates of their structure are given in Table 1 on this basis. The symmetry of this structure is P4/mm. Though it is not the smallest possible unit cell for the structure, comparison with other bcc binary derivative structures is easily possible on this basis. The atomic coordinates for the latter, for a ternary composition Ti 2 AlNb, are also given. They note that the site occupation for the Hsiung et al. structure is quite distinct from that for a ternary DO 3 phase or any of the other possible bcc derivative structures (neglecting 2 possibilities with 128 or 432 atoms per unit cell(8) and interstitial ordering)

  20. The detailed orbital-decomposed electronic structures of tetragonal ZrO2

    International Nuclear Information System (INIS)

    Zhang, Yan; Ji, Vincent; Xu, Ke-Wei

    2013-01-01

    The detailed orbital-decomposed electronic structures of the tetragonal zirconia have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation (GGA) as well as taking into account the on-site Coulomb repulsive interaction (GGA+U). The deviation of the minimization energy from d z =0 to d z =±0.032 for experimental lattice constants (a=3.605 Å and c=5.180 Å) confirms the alternating displacement of the oxygen atoms, which causes half of the Zr---O bonds stronger and the other half weaker compared with the bonds in symmetric (d z =0) zirconia. The distorted tetragonal environment of the eight oxygen anions around Zr site splits the five-fold degenerate d states of a free Zr atom into triply degenerate t 2g (d xy , d yz and d zx ) states and doubly degenerate e g (d z 2 and d x 2 -y 2 ) states. The additional covalent character upon Zr-O ionic bonds are resulted from the hybridization between the O(2s), O(2p) and Zr(5s), triply degenerate t 2g (d xy , d yz and d zx ) states of Zr(4d). The O(2s) and O(2p) states are clearly separated and no hybrid bonding states are formed

  1. High-pressure synthesis of fully occupied tetragonal and cubic tungsten bronze oxides

    Energy Technology Data Exchange (ETDEWEB)

    Ikeuchi, Yuya; Takatsu, Hiroshi; Tassel, Cedric; Goto, Yoshihiro; Murakami, Taito; Kageyama, Hiroshi [Graduate School of Engineering, Kyoto University (Japan)

    2017-05-15

    A high-pressure reaction yielded the fully occupied tetragonal tungsten bronze K{sub 3}W{sub 5}O{sub 15} (K{sub 0.6}WO{sub 3}). The terminal phase shows an unusual transport property featuring slightly negative temperature-dependence in resistivity (dρ/dT<0) and a large Wilson ratio of R{sub W}=3.2. Such anomalous metallic behavior possibly arises from the low-dimensional electronic structure with a van Hove singularity at the Fermi level and/or from enhanced magnetic fluctuations by geometrical frustration of the tungsten sublattice. The asymmetric nature of the tetragonal tungsten bronze K{sub x}WO{sub 3}-K{sub 0.6-y}Ba{sub y}WO{sub 3} phase diagram implies that superconductivity for x≤0.45 originates from the lattice instability because of potassium deficiency. A cubic perovskite KWO{sub 3} phase was also identified as a line phase - in marked contrast to Na{sub x}WO{sub 3} and Li{sub x}WO{sub 3} with varying quantities of x (<1). This study presents a versatile method by which the solubility limit of tungsten bronze oxides can be extended. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. 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.)

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 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 ...

  13. 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

  14. 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.

  15. Environment of nodes Cu(1) in tetragonal lattices Y Ca Ba La Cu O

    International Nuclear Information System (INIS)

    Nistiriuc, P. V.

    2001-01-01

    In the present operation the attempt is made to study the influence of an ordinary and double doping to the nearest enviroment of atoms of copper by the method emission Mossbauer spectroscopy with consequent matching of experimental and calculated parameters of the electric field gradient ensor. From six possible configurations dominant is only one

  16. 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.

  17. 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

  18. 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

  19. 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.

  20. 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.

  1. 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.)

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. 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,...

  7. 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…

  8. 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)

  9. 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.

  10. 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.)

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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)

  16. 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

  17. 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.

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

    International Nuclear Information System (INIS)

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

    1986-01-01

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

  19. 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)

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. The lattice distortion effect for zinc-blende CrAs and CrSb

    International Nuclear Information System (INIS)

    Yamana, Keita; Geshi, Masaaki; Tsukamoto, Hidekazu; Uchida, Ichiro; Shirai, Masafumi; Kusakabe, Koichi; Suzuki, Naoshi

    2004-01-01

    We investigated the stability of the ferromagnetism of CrAs and CrSb in the zinc-blende structure against the lattice distortion, systematically. A calculation within the generalized gradient approximation using a full potential linearized augmented plane wave method was performed. We compared the ferromagnetic state and the antiferromagnetic state assuming tetragonal distortion with the lattice constants a and c changing independently and determined the spin polarization ratio in the ferromagnetic phase. The result shows that complete spin polarization (half-metallic ferromagnetism) remains stable even in the presence of large tetragonal distortion. On the other hand, our calculation shows that two monolayers of CrAs is enough to produce a half-metallic state in the CrAs/GaAs multilayer. Thus, the present result suggests that the half-metallic nature persists in various atomic-scale superlattices made of distorted CrAs or CrSb

  9. 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

  10. 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

  11. 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

  12. 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.)

  13. 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.

  14. Thermal effects on domain orientation of tetragonal piezoelectrics

    Science.gov (United States)

    Chang, Wonyoung

    Thermal effects on electrical poling or mechanical grinding induced texture in tetragonal lead zirconate titanate (PZT) and lead titanate (PT) have been investigated using ex situ and in situ X-ray diffraction (XRD) with an area detector. According to previous results using ex situ XRD, domain configurations of poled samples after heat-treatment at or higher than the Curie temperature (TC) are similar to that of unpoled samples showing random domain distributions. The texture parameter called multiples of a random distribution (MRD) gradually decreases with increasing depoling temperature. On the other hand, using in situ XRD measurements, it was found that the MRD maximum for soft PZT initially increases with temperature up to approximately 100°C and then falls to unity at temperatures approaching the TC, whereas the MRD of hard PZT and PT initially undergoes a smaller increase or no change. Mechanical strain energy has an apparent effect on domain wall mobility. In contrast with previous results on electrical poling, mechanically-ground PT and soft PZT materials retained strong ferroelastic textures during thermal cycling, even after excursions to temperatures slightly above the TC . For the ground PT, it was found that repeated cycling above T C results in changes in both peak intensity and peak position, whereas the ground soft PZT undergoes the decrease in intensity of the (002) reflection after the first cycle of heating. Residual stresses in the surface region from grinding resulted in domain wall motion and the retention of textures in annealed samples. The research in this thesis demonstrates that the magnitude of loading applied to the sample surface, the speed used for grinding, or the grit size, can greatly affect the grinding induced damage zone and the depoling behavior of piezoelectric ceramics. Among the possible effects of grinding conditions on surface textures, one of particular interest is the effect of mechanical stresses produced during

  15. 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.)

  16. 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

  17. 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.

  18. 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.

  19. 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.)

  20. 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.)

  1. 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.)

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. Tetragonal-to-Tetragonal Phase Transition in Lead-Free (KxNa1−xNbO3 (x = 0.11 and 0.17 Crystals

    Directory of Open Access Journals (Sweden)

    Dabin Lin

    2014-06-01

    Full Text Available Lead free piezoelectric crystals of (KxNa1−xNbO3 (x = 0.11 and 0.17 have been grown by the modified Bridgman method. The structure and chemical composition of the obtained crystals were determined by X-ray diffraction (XRD and electron probe microanalysis (EPMA. The domain structure evolution with increasing temperature for (KxNa1−xNbO3 (x = 0.11 and 0.17 crystals was observed using polarized light microscopy (PLM, where distinguished changes of the domain structures were found to occur at 400 °C and 412 °C respectively, corresponding to the tetragonal to tetragonal phase transition temperatures. Dielectric measurements performed on (K0.11Na0.89NbO3 crystals exhibited tetragonal to tetragonal and tetragonal to cubic phase transitions temperatures at 405 °C and 496 °C, respectively.

  8. 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.

  9. 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 ...

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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)

  15. 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

  16. 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...

  17. 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)

  18. 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.

  19. Computers for Lattice QCD

    International Nuclear Information System (INIS)

    Christ, Norman H

    2000-01-01

    The architecture and capabilities of the computers currently in use for large-scale lattice QCD calculations are described and compared. Based on this present experience, possible future directions are discussed

  20. 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)

  1. 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

  2. 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....

  3. 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.

  4. 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

  5. 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

  6. 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

  7. 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.

  8. 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

  9. 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.

  10. 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)

  11. 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

  12. 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

  13. 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.

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. 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...

  1. 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.

  2. Quarks, gluons and lattices

    International Nuclear Information System (INIS)

    Krojts, M.

    1987-01-01

    The book by the known american physicist-theoretist M.Kreuts represents the first monography in world literature, where a new perspective direction in elementary particle physics and quantum field theory - lattice formulation of gauge theories is stated systematically. Practically all main ideas of this direction are given. Material is stated in systematic and understandable form

  3. Phenomenology Using Lattice QCD

    Science.gov (United States)

    Gupta, R.

    2005-08-01

    This talk provides a brief summary of the status of lattice QCD calculations of the light quark masses and the kaon bag parameter BK. Precise estimates of these four fundamental parameters of the standard model, i.e., mu, md, ms and the CP violating parameter η, help constrain grand unified models and could provide a window to new physics.

  4. Baryons on the lattice

    International Nuclear Information System (INIS)

    Bali, G.S.

    2005-01-01

    I comment on progress of lattice QCD techniques and calculations. Recent results on pentaquark masses as well as of the spectrum of excited baryons are summarized and interpreted. The present state of calculations of quantities related to the nucleon structure and of electromagnetic transition form factors is surveyed

  5. Finite lattice extrapolation algorithms

    International Nuclear Information System (INIS)

    Henkel, M.; Schuetz, G.

    1987-08-01

    Two algorithms for sequence extrapolation, due to von den Broeck and Schwartz and Bulirsch and Stoer are reviewed and critically compared. Applications to three states and six states quantum chains and to the (2+1)D Ising model show that the algorithm of Bulirsch and Stoer is superior, in particular if only very few finite lattice data are available. (orig.)

  6. Lattice Multiverse Models

    OpenAIRE

    Williamson, S. Gill

    2010-01-01

    Will the cosmological multiverse, when described mathematically, have easily stated properties that are impossible to prove or disprove using mathematical physics? We explore this question by constructing lattice multiverses which exhibit such behavior even though they are much simpler mathematically than any likely cosmological multiverse.

  7. Quantum lattice problems

    NARCIS (Netherlands)

    de Raedt, Hans; von der Linden, W.; Binder, K

    1995-01-01

    In this chapter we review methods currently used to perform Monte Carlo calculations for quantum lattice models. A detailed exposition is given of the formalism underlying the construction of the simulation algorithms. We discuss the fundamental and technical difficulties that are encountered and

  8. Convex Lattice Polygons

    Science.gov (United States)

    Scott, Paul

    2006-01-01

    A "convex" polygon is one with no re-entrant angles. Alternatively one can use the standard convexity definition, asserting that for any two points of the convex polygon, the line segment joining them is contained completely within the polygon. In this article, the author provides a solution to a problem involving convex lattice polygons.

  9. Lattices for antiproton rings

    International Nuclear Information System (INIS)

    Autin, B.

    1984-01-01

    After a description of the constraints imposed by the cooling of Antiprotons on the lattice of the rings, the reasons which motivate the shape and the structure of these machines are surveyed. Linear and non-linear beam optics properties are treated with a special amplification to the Antiproton Accumulator. (orig.)

  10. 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

  11. 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.

  12. 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

  13. 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

  14. 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.)

  15. 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

  16. 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.

  17. 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

  18. Datagrids for lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Buechner, O. [Zentralinstitut fuer Angewandte Mathematik ZAM, 52425 Juelich (Germany); Ernst, M. [Deutsches Elektronen-Synchrotron DESY, 22603 Hamburg (Germany); Jansen, K. [John von Neumann-Institut fuer Computing NIC/DESY, 15738 Zeuthen (Germany); Lippert, Th. [Zentralinstitut fuer Angewandte Mathematik ZAM, 52425 Juelich (Germany); Melkumyan, D. [Deutsches Elektronen-Synchrotron DESY, 15738 Zeuthen (Germany); Orth, B. [Zentralinstitut fuer Angewandte Mathematik ZAM, 52425 Juelich (Germany); Pleiter, D. [John von Neumann-Institut fuer Computing NIC/DESY, 15738 Zeuthen (Germany)]. E-mail: dirk.pleiter@desy.de; Stueben, H. [Konrad-Zuse-Institut fuer Informationstechnik ZIB, 14195 Berlin (Germany); Wegner, P. [Deutsches Elektronen-Synchrotron DESY, 15738 Zeuthen (Germany); Wollny, S. [Konrad-Zuse-Institut fuer Informationstechnik ZIB, 14195 Berlin (Germany)

    2006-04-01

    As the need for computing resources to carry out numerical simulations of Quantum Chromodynamics (QCD) formulated on a lattice has increased significantly, efficient use of the generated data has become a major concern. To improve on this, groups plan to share their configurations on a worldwide level within the International Lattice DataGrid (ILDG). Doing so requires standardized description of the configurations, standards on binary file formats and common middleware interfaces. We describe the requirements and problems, and discuss solutions. Furthermore, an overview is given on the implementation of the LatFor DataGrid [http://www-zeuthen.desy.de/latfor/ldg], a France/German/Italian grid that will be one of the regional grids within the ILDG grid-of-grids concept.

  19. Lattice QCD for cosmology

    International Nuclear Information System (INIS)

    Borsanyi, Sz.; Kampert, K.H.; Fodor, Z.; Forschungszentrum Juelich; Eoetvoes Univ., Budapest

    2016-06-01

    We present a full result for the equation of state (EoS) in 2+1+1 (up/down, strange and charm quarks are present) flavour lattice QCD. We extend this analysis and give the equation of state in 2+1+1+1 flavour QCD. In order to describe the evolution of the universe from temperatures several hundreds of GeV to the MeV scale we also include the known effects of the electroweak theory and give the effective degree of freedoms. As another application of lattice QCD we calculate the topological susceptibility (χ) up to the few GeV temperature region. These two results, EoS and χ, can be used to predict the dark matter axion's mass in the post-inflation scenario and/or give the relationship between the axion's mass and the universal axionic angle, which acts as a initial condition of our universe.

  20. Lattice vibration spectra. 16

    International Nuclear Information System (INIS)

    Lutz, H.D.; Willich, P.

    1977-01-01

    The FIR absorption spectra of pyrite type compounds RuS 2 , RuSsub(2-x)Sesub(x), RuSe 2 , RuTe 2 , OsS 2 , OsSe 2 , and PtP 2 as well as loellingite type phosphides FeP 2 , RuP 2 , and OsP 2 are reported. For RuS 2 , RuSe 2 , RuTe 2 , OsS 2 , and PtP 2 all of the five infrared allowed modes (k = 0) are observed. As a first result of a numerical normal coordinate treatment vibration forms of pyrite structure are communicated. The spectra show that lattice forces of corresponding sulfides, tellurides, and phosphides are about the same strength, but increase strongly by substitution of iron by ruthenium and especially of ruthenium by osmium. The lattice constants of the RuSsub(2-x)Sesub(x) solid solution obey Vegard's rule. (author)

  1. Lattice Wigner equation

    Science.gov (United States)

    Solórzano, S.; Mendoza, M.; Succi, S.; Herrmann, H. J.

    2018-01-01

    We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta retained in the discretization, which also determines the accuracy of the method. The Wigner equation is equipped with an additional collision operator, designed in such a way as to ensure numerical stability without affecting the evolution of the relevant moments of the Wigner function. The lattice Wigner scheme is validated for the case of quantum harmonic and anharmonic potentials, showing good agreement with theoretical results. It is further applied to the study of the transport properties of one- and two-dimensional open quantum systems with potential barriers. Finally, the computational viability of the scheme for the case of three-dimensional open systems is also illustrated.

  2. 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.

  3. Lattices of dielectric resonators

    CERN Document Server

    Trubin, Alexander

    2016-01-01

    This book provides the analytical theory of complex systems composed of a large number of high-Q dielectric resonators. Spherical and cylindrical dielectric resonators with inferior and also whispering gallery oscillations allocated in various lattices are considered. A new approach to S-matrix parameter calculations based on perturbation theory of Maxwell equations, developed for a number of high-Q dielectric bodies, is introduced. All physical relationships are obtained in analytical form and are suitable for further computations. Essential attention is given to a new unified formalism of the description of scattering processes. The general scattering task for coupled eigen oscillations of the whole system of dielectric resonators is described. The equations for the  expansion coefficients are explained in an applicable way. The temporal Green functions for the dielectric resonator are presented. The scattering process of short pulses in dielectric filter structures, dielectric antennas  and lattices of d...

  4. 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

  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.)

  6. 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.

  7. 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

  8. 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

  9. 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

  10. 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)

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. Light water lattices

    International Nuclear Information System (INIS)

    1962-01-01

    The panel was attended by prominent physicists from most of the well-known laboratories in the field of light-water lattices, who exchanged the latest information on the status of work in their countries and discussed both the theoretical and the experimental aspects of the subjects. The supporting papers covered most problems, including criticality, resonance absorption, thermal utilization, spectrum calculations and the physics of plutonium bearing systems. Refs, figs and tabs

  16. Diffusion in heterogeneous lattices

    Czech Academy of Sciences Publication Activity Database

    Tarasenko, Alexander; Jastrabík, Lubomír

    2010-01-01

    Roč. 256, č. 17 (2010), s. 5137-5144 ISSN 0169-4332 R&D Projects: GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : lattice- gas systems * diffusion * Monte Carlo simulations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.795, year: 2010

  17. Automated lattice data generation

    Directory of Open Access Journals (Sweden)

    Ayyar Venkitesh

    2018-01-01

    Full Text Available The process of generating ensembles of gauge configurations (and measuring various observables over them can be tedious and error-prone when done “by hand”. In practice, most of this procedure can be automated with the use of a workflow manager. We discuss how this automation can be accomplished using Taxi, a minimal Python-based workflow manager built for generating lattice data. We present a case study demonstrating this technology.

  18. Automated lattice data generation

    Science.gov (United States)

    Ayyar, Venkitesh; Hackett, Daniel C.; Jay, William I.; Neil, Ethan T.

    2018-03-01

    The process of generating ensembles of gauge configurations (and measuring various observables over them) can be tedious and error-prone when done "by hand". In practice, most of this procedure can be automated with the use of a workflow manager. We discuss how this automation can be accomplished using Taxi, a minimal Python-based workflow manager built for generating lattice data. We present a case study demonstrating this technology.

  19. Lattice dynamics of thorium

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, J [Agra Coll. (India). Dept. of Physics

    1977-03-01

    In the present work, a local model pseudopotential has been proposed to study the lattice dynamics of thorium. The model potential depends on the core and ionic radii, and accounts for the s-d-f hybridization effects in a phenomenological way. When this form of potential is applied to derive the photon dispersion curves of Th, sufficiently good agreement is found between the computed and experimental results.

  20. Computing: Lattice work

    International Nuclear Information System (INIS)

    Bowler, Ken

    1990-01-01

    One of the major recent developments in particle theory has been the use of very high performance computers to obtain approximate numerical solutions of quantum field theories by formulating them on a finite space-time lattice. The great virtue of this new technique is that it avoids the straitjacket of perturbation theory and can thus attack new, but very fundamental problems, such as the calculation of hadron masses in quark-gluon field theory (quantum chromodynamics - QCD)

  1. 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...

  2. 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.

  3. 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.)

  4. 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.)

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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)

  11. 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 +

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. A cornucopia of lattices

    International Nuclear Information System (INIS)

    Kilcup, G.

    1986-01-01

    A progress report on a lattice project at Los Alamos is presented. The projects are basically of two sorts: approaching the continuum (determination of MCRG flows under the blocking transformation, and beta-function along Wilson and improved action lines); and arriving at the continuum (hadron spectrum, coupling constants, and matrix elements). Since the ultimate goal is to determine matrix elements for which chiral symmetry is very relevant, the authors choose the formalism whose chiral properties are easier to understand, i.e., staggered fermions

  18. Lattice of quantum predictions

    Science.gov (United States)

    Drieschner, Michael

    1993-10-01

    What is the structure of reality? Physics is supposed to answer this question, but a purely empiristic view is not sufficient to explain its ability to do so. Quantum mechanics has forced us to think more deeply about what a physical theory is. There are preconditions every physical theory must fulfill. It has to contain, e.g., rules for empirically testable predictions. Those preconditions give physics a structure that is “a priori” in the Kantian sense. An example is given how the lattice structure of quantum mechanics can be understood along these lines.

  19. Lattice Vibrations in Chlorobenzenes:

    DEFF Research Database (Denmark)

    Reynolds, P. A.; Kjems, Jørgen; White, J. W.

    1974-01-01

    Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K...... was applied in order to correct for anharmonic effects. Calculations based on the atom‐atom model for van der Waals' interaction and on general potential parameters for the aromatic compounds agree reasonably well with the experimental observations. There is no substantial improvement in fit obtained either...

  20. Diamond lattice Heisenberg antiferromagnet

    Science.gov (United States)

    Oitmaa, J.

    2018-04-01

    We investigate ground-state and high-temperature properties of the nearest-neighbour Heisenberg antiferromagnet on the three-dimensional diamond lattice, using series expansion methods. The ground-state energy and magnetization, as well as the magnon spectrum, are calculated and found to be in good agreement with first-order spin-wave theory, with a quantum renormalization factor of about 1.13. High-temperature series are derived for the free energy, and physical and staggered susceptibilities for spin S  =  1/2, 1 and 3/2, and analysed to obtain the corresponding Curie and Néel temperatures.

  1. Lattice cell burnup calculation

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.

    1977-01-01

    Accurate burnup prediction is a key item for design and operation of a power reactor. It should supply information on isotopic changes at each point in the reactor core and the consequences of these changes on the reactivity, power distribution, kinetic characters, control rod patterns, fuel cycles and operating strategy. A basic stage in the burnup prediction is the lattice cell burnup calculation. This series of lectures attempts to give a review of the general principles and calculational methods developed and applied in this area of burnup physics

  2. Renormalons on the lattice

    CERN Document Server

    Crisafulli, M.; Martinelli, G.; Sachrajda, Christopher T.; Crisafulli, M; Gimenez, V; Martinelli, G; Sachrajda, C T

    1994-01-01

    We present the first lattice calculation of the B-meson binding energy \\labar and of the kinetic energy \\lambda_1/2 m_Q of the heavy-quark inside the pseudoscalar B-meson. In order to cancel the ambiguities due to the ultraviolet renormalons present in the operator matrix elements, this calculation has required the non-perturbative subtraction of the power divergences present in the Lagrangian operator \\energy and in the kinetic energy operator \\kkinetic. The non-perturbative renormalization of the relevant operators has been implemented by imposing suitable renormalization conditions on quark matrix elements in the Landau gauge.

  3. Study of Gd lattices

    International Nuclear Information System (INIS)

    Vidovsky, I.; Kereszturi, A.

    1991-11-01

    The results of experiments and calculations on Gd lattices are presented, and a comparison of experimental and calculational data is given. This latter can be divided into four groups. The first belongs to the comparison of criticality parameters, the second group is related with the comparison of 2D distributions, the third one relates the comparison of intra-macrocell distributions, whereas the fourth group is devoted for the comparison of spectral parameters. For comparison, the computer code RFIT based on strict statistical criteria has been used. The calculated and measured results agree, in most cases, sufficiently. (R.P.) 11 refs.; 13 figs.; 9 tabs

  4. 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

  5. /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.

  6. Lattice Transparency of Graphene.

    Science.gov (United States)

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

    2017-03-08

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

  7. 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

  8. 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

  9. 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.)

  10. Investigation on lattice parameters and superconducting properties in Fe(Te, Se, S) ternary-chalcogen system

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Zhongnan; Zhang, Huanhuan; Han, Bingling; Yuan, Wenxia, E-mail: wxyuanwz@163.com

    2015-02-15

    Highlights: • A series sample of Fe{sub 1.02}Te{sub 0.85}Se{sub 0.15−x}S{sub x} has been synthesised. • The lattice parameters is basically unchanged with the S doping. • The superconductivity is clearly suppressed with the S substitution of Se. • The solid solubility region of the tetragonal phase in this system is discussed. - Abstract: A series of samples with the nominal compositions Fe{sub 1.02}Te{sub 0.85}Se{sub 0.15−x}S{sub x} (x = 0, 0.0375, 0.075, 0.1125 and 0.15) have been synthesized to study the influence of the S substitution of Se on the lattice parameters and superconducting properties. It has been found that the S substitution basically has no effect on the lattice parameters a and c of the tetragonal phase. However, T{sub c} of Fe{sub 1.02}(Te{sub 0.85}Se{sub 0.15−x}S{sub x}) superconductors clearly decreases with S doping.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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%).

  18. 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

  19. 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

  20. 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...

  1. 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.

  2. 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%.

  3. 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.

  4. Experimental study of stress-induced localized transformation plastic zones in tetragonal zirconia polycrystalline ceramics

    International Nuclear Information System (INIS)

    Sun, Q.; Zhao, Z.; Chen, W.; Qing, X.; Xu, X.; Dai, F.

    1994-01-01

    Stress-induced martensitic transformation plastic zones in ceria-stabilized tetragonal zirconia polycrystalline ceramics (Ce-TZP), under loading conditions of uniaxial tension, compression, and three-point bending, are studied by experiments. The transformed monoclinic phase volume fraction distribution and the corresponding plastic strain distribution and the surface morphology (surface uplift) are measured by means of moire interferometry, Raman microprobe spectroscopy, and the surface measurement system. The experimental results from the above three kinds of specimens and methods consistently show that the stress-induced transformation at room temperature of the above specimen is not uniform within the transformation zone and that the plastic deformation is concentrated in some narrow band; i.e., macroscopic plastic flow localization proceeds during the initial stage of plastic deformation. Flow localization phenomena are all observed in uniaxial tension, compression, and three-point bending specimens. Some implications of the flow localization to the constitutive modeling and toughening of transforming thermoelastic polycrystalline ceramics are explored

  5. 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)

  6. 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.

  7. 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.).

  8. 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.

  9. 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.)

  10. Lattice quantum chromodynamics

    International Nuclear Information System (INIS)

    Hassenfratz, P.

    1983-01-01

    It is generally accepted that relativistic field theory is relevant in high energy physics. It is also recognized that even in QCD, which is asymptotically free, the scope of perturbation theory is very limited. Despite the tremendous theoretical and experimental effort to study scaling, scaling violations, e + e - , lepton pair creation, jets, etc., the answer to the question whether and to what extent is QCD the theory of strong interactions is vague. At present-day energies it is difficult to disentangle perturbative and non-perturbative effects. The author states that QCD must be understood and that quantitative non-perturbative methods are needed. He states that the lattice formulation of field theories is a promising approach to meeting this need and discusses the formulation in detail in this paper

  11. 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

  12. 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

  13. 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.)

  14. 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.)

  15. 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)

  16. 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.

  17. 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....

  18. 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

  19. 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

  20. 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

  1. 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)

  2. 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.

  3. 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.

  4. 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

  5. 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)

  6. 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

  7. 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

  8. 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.

  9. 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

  10. 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

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.)

  16. 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

  17. 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 ...

  18. 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.

  19. 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)

  20. Controllable Photovoltaic Effect of Microarray Derived from Epitaxial Tetragonal BiFeO3 Films.

    Science.gov (United States)

    Lu, Zengxing; Li, Peilian; Wan, Jian-Guo; Huang, Zhifeng; Tian, Guo; Pan, Danfeng; Fan, Zhen; Gao, Xingsen; Liu, Jun-Ming

    2017-08-16

    Recently, the ferroelectric photovoltaic (FePV) effect has attracted great interest due to its potential in developing optoelectronic devices such as solar cell and electric-optical sensors. It is important for actual applications to realize a controllable photovoltaic process in ferroelectric-based materials. In this work, we prepared well-ordered microarrays based on epitaxially tetragonal BiFeO 3 (T-BFO) films by the pulsed laser deposition technique. The polarization-dependent photocurrent image was directly observed by a conductive atomic force microscope under ultraviolet illumination. By choosing a suitable buffer electrode layer and controlling the ferroelectric polarization in the T-BFO layer, we realized the manipulation of the photovoltaic process. Moreover, based on the analysis of the band structure, we revealed the mechanism of manipulating the photovoltaic process and attributed it to the competition between two key factors, i.e., the internal electric field caused by energy band alignments at interfaces and the depolarization field induced by the ferroelectric polarization in T-BFO. This work is very meaningful for deeply understanding the photovoltaic process of BiFeO 3 -based devices at the microscale and provides us a feasible avenue for developing data storage or logic switching microdevices based on the FePV effect.

  1. Initial Bacterial Adhesion on Different Yttria-Stabilized Tetragonal Zirconia Implant Surfaces in Vitro

    Directory of Open Access Journals (Sweden)

    Lamprini Karygianni

    2013-12-01

    Full Text Available Bacterial adhesion to implant biomaterials constitutes a virulence factor leading to biofilm formation, infection and treatment failure. The aim of this study was to examine the initial bacterial adhesion on different implant materials in vitro. Four implant biomaterials were incubated with Enterococcus faecalis, Staphylococcus aureus and Candida albicans for 2 h: 3 mol % yttria-stabilized tetragonal zirconia polycrystal surface (B1a, B1a with zirconium oxide (ZrO2 coating (B2a, B1a with zirconia-based composite coating (B1b and B1a with zirconia-based composite and ZrO2 coatings (B2b. Bovine enamel slabs (BES served as control. The adherent microorganisms were quantified and visualized using scanning electron microscopy (SEM; DAPI and live/dead staining. The lowest bacterial count of E. faecalis was detected on BES and the highest on B1a. The fewest vital C. albicans strains (42.22% were detected on B2a surfaces, while most E. faecalis and S. aureus strains (approximately 80% were vital overall. Compared to BES; coated and uncoated zirconia substrata exhibited no anti-adhesive properties. Further improvement of the material surface characteristics is essential.

  2. Magnetic ordering induced giant optical property change in tetragonal BiFeO3

    Science.gov (United States)

    Tong, Wen-Yi; Ding, Hang-Chen; Gong, Shi Jing; Wan, Xiangang; Duan, Chun-Gang

    2015-12-01

    Magnetic ordering could have significant influence on band structures, spin-dependent transport, and other important properties of materials. Its measurement, especially for the case of antiferromagnetic (AFM) ordering, however, is generally difficult to be achieved. Here we demonstrate the feasibility of magnetic ordering detection using a noncontact and nondestructive optical method. Taking the tetragonal BiFeO3 (BFO) as an example and combining density functional theory calculations with tight-binding models, we find that when BFO changes from C1-type to G-type AFM phase, the top of valance band shifts from the Z point to Γ point, which makes the original direct band gap become indirect. This can be explained by Slater-Koster parameters using the Harrison approach. The impact of magnetic ordering on band dispersion dramatically changes the optical properties. For the linear ones, the energy shift of the optical band gap could be as large as 0.4 eV. As for the nonlinear ones, the change is even larger. The second-harmonic generation coefficient d33 of G-AFM becomes more than 13 times smaller than that of C1-AFM case. Finally, we propose a practical way to distinguish the two AFM phases of BFO using the optical method, which is of great importance in next-generation information storage technologies.

  3. Thermodynamics of the tetragonal to monoclinic phase transformation in constrained zirconia microcrystals

    International Nuclear Information System (INIS)

    Garvie, R.C.; Swain, M.V.

    1985-01-01

    End-point thermodynamic analyses were made of the tetragonal to monoclinic transformation (t -> m) occurring in ZrO 2 precipitates in a Ca-PSZ alloy and particles in Al 2 O 3 -ZrO 2 composites. Calculated plots of the reciprocal critical size for transformation temperature were in excellent agreement with experiment data for both systems. Contributions to the total free energy change included bulk chemical, dilatational and residual shear strain energies and also interfacial energies. The latter term consisted of contributions from the change in the chemical surface free energy, the presence of twin boundaries in the precipitate (particle) - matrix interfacial energy. The major impediment to the transformation was the shear strain energy which could not be reduced sufficiently by twinning alone. The t -> m reaction proceeded spontaneously when the energy barrier was reduced by the response of the particle - matrix interface. The response comprised loss of coherency and grain boundary microcracking for the Ca/PSZ and Al 2 O 3 -ZrO 2 alloys, respectively. These results are in accord with recent suggestions that either a stress-free strain or a free surface is a necessary condition for the initiation of a martensitic transformation. (author)

  4. Grain size stabilization of tetragonal phase of zirconia in sputtered Zr-O cermet films

    International Nuclear Information System (INIS)

    Hadavi, M. S.; Keshmiri, H.; Kompany, A.; Zhang, Q. C.

    2005-01-01

    In this research, thin films of Zr/ZrO 2 composites were deposited by reactive magnetron sputtering technique on Si and fused Silica substrates, and their structures were investigated by x-ray diffraction method. During the deposition of the cermet layers, a Zr metallic target was sputtered in a gas mixture of Ar and O 2 . By controlling of O 2 flow rate, the different metal volume fractions in the cermet layers were achieved. The optical response of the samples was studied using spectroscopy methods. Also the effect of vacuum annealing on the structures and the optical properties were studies. x-ray diffraction results indicated that the prepared samples were amorphous and vacuum annealing induced crystallization in the cermet films. This research also show that without doping, the tetragonal phase of Zirconia can be stabilized at a temperature lower than the normal transition temperature. This is g rain size stabilization a nd relates to the small size of the crystallizes. In order to study the electron diffraction in the selected area patterns, the samples were analysed by a high-resolution transmission microscope. The selected area patterns results showed that all of the as prepared samples were amorphous showing evidence of very small Zr crystallites immersed in a dielectric medium. The Sad results are in close agreement with those obtained by x-ray diffraction analysis

  5. Grain size stabilization of tetragonal phase of zirconia in sputtered Zr- O cermet films

    Directory of Open Access Journals (Sweden)

    M. S. Hadavi

    2005-06-01

    Full Text Available  In this research, thin films of Zr/ZrO2 composites were deposited by reactive magnetron sputtering technique on Si and fused Silica substrates, and their structures were investigated by XRD method. During the deposition of the cermet layers, a Zr metallic target was sputtered in a gas mixture of Ar and O2. By controlling of O2 flow rate, the different metal volume fractions in the cermet layers were achieved. The optical response of the samples was studied using spectroscopy methods. Also the effect of vacuum annealing on the structures and the optical properties were studied. XRD results indicated that the prepared samples were amorphous and vacuum annealing induced crystallization in the cermet films. This research also showed that without doping, the tetragonal phase of zirconia can be stabilized at a temperature lower than the normal transition temperature. This is “grain size stabilization” and relates to the small size of the crystallites. In order to study the electron diffraction in the selected area patterns (SAD, the samples were analyzed by a high-resolution transmission microscope. The SAD results showed that all of the as prepared samples were amorphous showing evidence of very small Zr crystallites immersed in a dielectric medium.The SAD results are in close agreement with those obtained by XRD analysis.

  6. In-situ structural investigations of ferroelasticity in soft and hard rhombohedral and tetragonal PZT

    Energy Technology Data Exchange (ETDEWEB)

    Morozov, Maxim I., E-mail: maximm@alumni.ntnu.no; Einarsrud, Mari-Ann; Tolchard, Julian R.; Grande, Tor [Department of Materials Science and Engineering, Norwegian University of Science and Technology, NO-7491 Trondheim (Norway); Geiger, Philipp T.; Webber, Kyle G. [Department of Materials Science, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen (Germany); Damjanovic, Dragan [Ceramics Laboratory, Swiss Federal Institute of Technology in Lausanne-EPFL, 1015 Lausanne (Switzerland)

    2015-10-28

    Despite the technological importance of hard and soft PZT, Pb(Zr,Ti)O{sub 3}, ceramics, the mechanisms of ferroelectric hardening and softening remain widely discussed in the literature. The hardening and softening phenomena have traditionally been investigated in relation with dielectric manifestations such as aging of the dielectric susceptibility and constriction of the polarization-electric field hysteresis loop. Here, we present a systematic investigation of the ferroelectric and ferroelastic properties of soft and hard PZT in both the tetragonal and rhombohedral phases. A particular focus has been devoted to ferroelastic domain switching by characterizing the macroscopic mechanical constitutive behavior and in-situ synchrotron X-ray diffraction during compression. It is demonstrated that variation of the ordering state of point defects in PZT ceramics affects the switching behavior of both ferroelectric and ferroelastic domains under mechanical or electrical fields. Softening of the mechanical and electrical properties of originally hard PZT ceramics was conferred by quenching the materials from above the Curie temperature. The present findings are discussed with respect to the current understanding of hardening-softening transitions in ferroelectric materials.

  7. Oxidation of uraninite: does tetragonal U3O7 occur in nature?

    International Nuclear Information System (INIS)

    Janeczek, J.; Ewing, R.C.; Thomas, L.E.

    1993-01-01

    Samples of uraninite and pitchblende annealed at 1200 C in H 2 , and untreated pitchblende were sequentially oxidized in air at 180-190 C, 230 C, and 300 C. Uraninite and untreated pitchblende oxidized to the U 4 O 9 -type oxide, and their X-ray symmetry remained isometric up to 300 C. Reduced pitchblende after oxidation to UO 2+x and U 4 O 9 -type oxides transformed into α-U 3 O 8 at 300 C. Two major mechanisms control uraninite and untreated pitchblende stability during oxidation: (1) Th and/or REE maintain charge balance and block oxygen interstitials near impurity cations; (2) the uraninite structure saturates with respect to excess oxygen and radiation-induced oxygen interstitials. Untreated pitchblende during oxidation behaved similarly to irradiated UO 2 in spent nuclear fuel; whereas, reduced pitchblende resembled nonirradiated UO 2 . An analysis of the data in the literature, as well as our own efforts to identify U 3 O 7 in samples from Cigar Lake, Canada, failed to provide conclusive evidence of the natural occurrence of tetragonal α-U 3 O 7 . Most probably, reported occurrences of U 3 O 7 are mixtures of isometric uraninites of slightly different compositions. (orig.)

  8. Unique Optical Properties of Methylammonium Lead Iodide Nanocrystals Below the Bulk Tetragonal-Orthorhombic Phase Transition.

    Science.gov (United States)

    Diroll, Benjamin T; Guo, Peijun; Schaller, Richard D

    2018-02-14

    Methylammonium (MA) and formamidinium (FA) lead halides are widely studied for their potential as low-cost, high-performance optoelectronic materials. Here, we present measurements of visible and IR absorption, steady state, and time-resolved photoluminescence from 300 K to cryogenic temperatures. Whereas FAPbI 3 nanocrystals (NCs) are found to behave in a very similar manner to reported bulk behavior, colloidal nanocrystals of MAPbI 3 show a departure from the low-temperature optical behavior of the bulk material. Using photoluminescence, visible, and infrared absorption measurements, we demonstrate that unlike single crystals and polycrystalline films NCs of MAPbI 3 do not undergo optical changes associated with the bulk tetragonal-to-orthorhombic phase transition, which occurs near 160 K. We find no evidence of frozen organic cation rotation to as low as 80 K or altered exciton binding energy to as low as 3 K in MAPbI 3 NCs. Similar results are obtained in MAPbI 3 NCs ranging from 20 to over 100 nm and in morphologies including cubes and plates. Colloidal MAPbI 3 NCs therefore offer a window into the properties of the solar-relevant, room-temperature phase of MAPbI 3 at temperatures inaccessible with single crystals or polycrystalline samples. Exploiting this phenomenon, these measurements reveal the existence of an optically passive photoexcited state close to the band edge and persistent slow Auger recombination at low temperature.

  9. Changes in X-ray photoelectron spectra of yttria-tetragonal zirconia polycrystal by ion sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Eiko; Yoshinari, Masao [Tokyo Dental College, Oral Health Science Center, Tokyo, Chiyoda-ku (Japan)

    2016-04-15

    This paper reports changes in X-ray photoelectron spectroscopy spectra of yttria-tetragonal zirconia polycrystal (Y-TZP) brought about by Ar ion sputtering. The changes in the core-level spectra of Y-TZP suggest that preferential sputtering of oxygen occurred. A new peak was observed near 0 eV binding energy accompanied with changes in the core-level spectra by the sputtering. After 18 h in a high vacuum following the sputtering, the spectra changed by the sputtering were returned to their original shapes. In contrast, the color of Y-TZP was changed from white to pale brown by X-ray irradiation and was changed from pale brown to dark gray by ion sputtering. However, when the new peak near 0 eV decreased after 18 h, no color change was observed. Therefore, it is thought that the new peak was mainly derived from electrons trapped in various kinds of oxygen vacancies created by the sputtering in other than color centers. (orig.)

  10. Phenomenological Equations Relating Various Critical Anomalies above a Cubic-to-Tetragonal Phase Transition Point

    Science.gov (United States)

    Hamano, Katsumi; Hirotsu, Shunsuke

    1980-01-01

    Phenomenological equations are derived which interrelate the anomalies in various thermodynamic quantities above the transition point of a cubic-to-tetragonal phase transition caused by an instability of a triply degenerate soft mode. The anomalous part of the Gibbs free energy is assumed to be a simple sum of the three parts which represent the contributions from the three fluctuation components. A cylindrical approximation is adopted to each of the three contributions by taking into account the symmetry of the fluctuations. The theory predicts that the adiabatic elastic compliances, s11s, s12s, and also s11s-s12s should exhibit anomalies proportional to the anomaly in the specific heat at constant pressure. This is in marked contrast with the result of the generalized Pippard equations derived by Garland, and by Janovec. The new equations are successfully tested for KMnF3, CsPbCl3, and CsPbBr3. The β-γ transition of NH4Br is also discussed.

  11. 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.

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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.

  17. 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

  18. 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)

  19. Dynamic Spin-Lattice Coupling and Nematic Fluctuations in NaFeAs

    Directory of Open Access Journals (Sweden)

    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.

  20. 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.

  1. 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].

  2. 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)

  3. Effects of superplastic deformations on thermophysical properties of tetragonal zirconia polycrystals

    International Nuclear Information System (INIS)

    Motohashi, Y.; Wan, C.; Sakuma, T.; Harjo, S.; Shibata, T.; Ishihara, M.; Baba, S.; Hoshiya, T.

    2004-01-01

    Neutron irradiation studies on superplastic zirconia-based ceramics are now in progress as an innovative basic project using the High-temperature Engineering Test Reactor (HTTR) in Japan. The characteristics of the zirconia-based engineering components, made through the formation of superplastic, may be strongly affected by their response to transient or steady-state heat flow. Reliable thermophysical properties such as the coefficients of thermal expansion and thermal conductivity are, therefore, needed to estimate and predict the influence of a high-temperature environment. Accordingly, one of this project's targets is to study the thermophysical properties of superplastic zirconia-based ceramics. The first stage of the research addresses the effects of superplastic deformations on the thermophysical properties of a typical superplastic ceramic, 3 mol% yttria-stabilised tetragonal zirconia polycrystals (3Y-TZP), in its un-irradiated state. First, superplastic tensile deformations were conducted on 3Y-TZP specimens under different conditions in order to obtain specimens with different microstructural characteristics. Afterwards, the following actions were taken: - Specific heat measurements were conducted on the specimens at temperatures ranging from 473 K to 1273 K. - The thermal diffusivity was measured using a laser flash method. The thermal conductivity was then calculated from the measured thermal diffusivity, specific heat and density. - The linear thermal expansion was measured by a push-rod type dilatometer from 300 K to 1473 K. The coefficient of linear thermal expansion (CTE) was estimated from the thermal expansion data. The results obtained from the above measurements are discussed, as is the microstructural evolution caused by the superplastic deformations. It was found that the specific heat was almost independent of microstructural evolution, whereas the thermal diffusivity, thermal conductivity and thermal expansion were quite sensitive to

  4. Effects of whitening dentifrice on yttria-stabilized tetragonal zirconia polycrystal surfaces after simulating brushing.

    Science.gov (United States)

    Pinelli, Lígia Antunes Pereira; Gimenes Olbera, Amanda Caroline; Candido, Lucas Miguel; Miotto, Larissa Natiele; Antonio, Selma Gutierrez; Fais, Laiza Maria Grassi

    2017-01-01

    The changes that occur after brushing yttria-stabilized tetragonal zirconia polycrystal (Y-TZP) are unknown. These changes may favor the retention of microorganisms and chemisorption of water, impairing its longevity. The purpose of this in vitro study was to evaluate the effects of a whitening dentifrice on Y-TZP surfaces after simulating 10 years of brushing. Seventy-two bar-shaped specimens (20×4×1.2 mm) were divided into 4 groups: storage in distilled water (SW, control), brushing with distilled water (BW), brushing with dentifrice (BD), and brushing with whitening dentifrice (BWD). Brushing was conducted using a linear brushing machine (878400 cycles, 0.98 N, soft toothbrush). The mean roughness (Ra) was analyzed with a profilometer and the superficial topography with scanning electron microscopy (SEM) at baseline and after treatment. Crystalline phases were characterized using x-ray diffraction. Baseline and posttreatment Ra were analyzed using the 1-way ANOVA and Tukey HSD multiple comparison test; the paired t test was used for intragroup comparison (all α=.05). The Ra (μm) means (before/after treatment) were SW 0.28/0.28; BW 0.32/0.31; BD 0.28/0.36; BWD 0.30/0.20. No statistically significant difference was found for Ra at baseline (P=.108) than for posttreatment results (P<.001); the BD group had higher Ra values when compared with baseline (P=.019); the BWD group had the lowest values (P<.001). The BD surfaces showed pronounced scratches and detachment of the surface, while BWD showed smoother surfaces; similar crystallographic results among groups were observed. Brushing Y-TZP with conventional dentifrice increased roughness, while brushing with whitening dentifrice reduced roughness. Neither dentifrice changed the crystallographic phases after brushing. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

  5. Crystallization behavior of tetragonal ZrO{sub 2} prepared in a silica bath

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Moo-Chin, E-mail: mcwang@kmu.edu.tw [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China); Huang, Hung-Jui [Department of Fragrance and Cosmetic Science, Kaohsiung Medical University, 100 Shih-Chuan 1st Road, Kaohsiung 80708, Taiwan (China)

    2013-09-10

    Highlights: ► The activation energy of t-ZrO{sub 2} crystallization calculated by the JMA equation is 643.0 ± 13.9 kJ·mol{sup −1}. ► The growth morphology parameter (n) and crystallization mechanism index (m) are approximated as 3.0. ► Bulk nucleation is dominant in the t-ZrO{sub 2} crystallization process, and has a spherical-like morphology. ► The TEM microstructure reveals that the t-ZrO{sub 2} crystallites have a spherical-like morphology. - Abstract: The synthesis of zirconia (ZrO{sub 2}) precursor powders by a co-precipitation process is studied in this work, using a silica bath prepared at 348 K and pH = 7, with 10 min mixing using zirconium (IV) nitrate and tetraethylorthosilicate (TEOS, Si(OC{sub 2}H{sub 5}){sub 4}) as the starting materials. The XRD result show that only a single phase of tetragonal ZrO{sub 2} (t-ZrO{sub 2}) appears when the freeze dried precursor powders are calcined between 1173 and 1473 K for 120 min. The activation energy of t-ZrO{sub 2} crystallization, as calculated by the Johnson–Mehl–Avrami (JMA) equation, is 643.0 ± 13.9 kJ/mol. The growth morphology parameter (n) and crystallization mechanism index (m) are approximated as 3.0, which indicates that bulk nucleation is dominant in the t-ZrO{sub 2} crystallization process, and that the material has a plate-like morphology.

  6. 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 compositionX(Mn2.82Fe^{2+}_{0.14}Ca0.04)Σ3Y{Al1.95Fe^{3+}_{0.05}}Σ2Z[(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

  7. 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.

  8. 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.

  9. 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

  10. 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).

  11. 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)

  12. 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...

  13. 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.

  14. 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.

  15. 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.

  16. Kondo length in bosonic lattices

    Science.gov (United States)

    Giuliano, Domenico; Sodano, Pasquale; Trombettoni, Andrea

    2017-09-01

    Motivated by the fact that the low-energy properties of the Kondo model can be effectively simulated in spin chains, we study the realization of the effect with bond impurities in ultracold bosonic lattices at half filling. After presenting a discussion of the effective theory and of the mapping of the bosonic chain onto a lattice spin Hamiltonian, we provide estimates for the Kondo length as a function of the parameters of the bosonic model. We point out that the Kondo length can be extracted from the integrated real-space correlation functions, which are experimentally accessible quantities in experiments with cold atoms.

  17. Supersymmetry on the noncommutative lattice

    International Nuclear Information System (INIS)

    Nishimura, Jun; Rey, Soo-Jong; Sugino, Fumihiko

    2003-01-01

    Built upon the proposal of Kaplan et al. (heplat{0206109}), we construct noncommutative lattice gauge theory with manifest supersymmetry. We show that such theory is naturally implementable via orbifold conditions generalizing those used by Kaplan et al. We present the prescription in detail and illustrate it for noncommutative gauge theories latticized partially in two dimensions. We point out a deformation freedom in the defining theory by a complex-parameter, reminiscent of discrete torsion in string theory. We show that, in the continuum limit, the supersymmetry is enhanced only at a particular value of the deformation parameter, determined solely by the size of the noncommutativity. (author)

  18. Machines for lattice gauge theory

    International Nuclear Information System (INIS)

    Mackenzie, P.B.

    1989-05-01

    The most promising approach to the solution of the theory of strong interactions is large scale numerical simulation using the techniques of lattice gauge theory. At the present time, computing requirements for convincing calculations of the properties of hadrons exceed the capabilities of even the most powerful commercial supercomputers. This has led to the development of massively parallel computers dedicated to lattice gauge theory. This talk will discuss the computing requirements behind these machines, and general features of the components and architectures of the half dozen major projects now in existence. 20 refs., 1 fig

  19. Graphene on graphene antidot lattices

    DEFF Research Database (Denmark)

    Gregersen, Søren Schou; Pedersen, Jesper Goor; Power, Stephen

    2015-01-01

    Graphene bilayer systems are known to exhibit a band gap when the layer symmetry is broken by applying a perpendicular electric field. The resulting band structure resembles that of a conventional semiconductor with a parabolic dispersion. Here, we introduce a bilayer graphene heterostructure......, where single-layer graphene is placed on top of another layer of graphene with a regular lattice of antidots. We dub this class of graphene systems GOAL: graphene on graphene antidot lattice. By varying the structure geometry, band-structure engineering can be performed to obtain linearly dispersing...

  20. 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.

  1. [Lattice degeneration of the retina].

    Science.gov (United States)

    Boĭko, E V; Suetov, A A; Mal'tsev, D S

    2014-01-01

    Lattice degeneration of the retina is a clinically important type of peripheral retinal dystrophies due to its participation in the pathogenesis of rhegmatogenous retinal detachment. In spite of extensive epidemiological, morphological, and clinical data, the question on causes of this particular type of retinal dystrophies currently remains debatable. Existing hypotheses on pathogenesis of retinal structural changes in lattice degeneration explain it to a certain extent. In clinical ophthalmology it is necessary to pay close attention to this kind of degenerations and distinguish between cases requiring preventive treatment and those requiring monitoring.

  2. Lattice calculations in gauge theory

    International Nuclear Information System (INIS)

    Rebbi, C.

    1985-01-01

    The lattice formulation of quantum gauge theories is discussed as a viable technique for quantitative studies of nonperturbative effects in QCD. Evidence is presented to ascertain that whole classes of lattice actions produce a universal continuum limit. Discrepancies between numerical results from Monto Carlo simulations for the pure gauge system and for the system with gauge and quark fields are discussed. Numerical calculations for QCD require very substantial computational resources. The use of powerful vector processors of special purpose machines, in extending the scope and magnitude or the calculations is considered, and one may reasonably expect that in the near future good quantitative predictions will be obtained for QCD

  3. 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

  4. 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.

  5. 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.)

  6. Computers for lattice field theories

    International Nuclear Information System (INIS)

    Iwasaki, Y.

    1994-01-01

    Parallel computers dedicated to lattice field theories are reviewed with emphasis on the three recent projects, the Teraflops project in the US, the CP-PACS project in Japan and the 0.5-Teraflops project in the US. Some new commercial parallel computers are also discussed. Recent development of semiconductor technologies is briefly surveyed in relation to possible approaches toward Teraflops computers. (orig.)

  7. 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.

  8. From lattice gases to polymers

    NARCIS (Netherlands)

    Frenkel, D.

    1990-01-01

    The modification of a technique that was developed to study time correlations in lattice-gas cellular automata to facilitate the numerical simulation of chain molecules is described. As an example, the calculation of the excess chemical potential of an ideal polymer in a dense colloidal

  9. 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

  10. Nuclear physics on the lattice?

    International Nuclear Information System (INIS)

    Koonin, S.E.

    1985-01-01

    The goal of the paper is to try to adapt lattice gauge theory to build in some biases in order for being applicable to nuclear physics. In so doing the calculations are made more precise, and the author can address questions like the size of the nucleon, the nucleon-nucleon potential, the modifications of the nucleon in the nuclear medium, etc. (Auth.)

  11. Differential geometry of group lattices

    International Nuclear Information System (INIS)

    Dimakis, Aristophanes; Mueller-Hoissen, Folkert

    2003-01-01

    In a series of publications we developed ''differential geometry'' on discrete sets based on concepts of noncommutative geometry. In particular, it turned out that first-order differential calculi (over the algebra of functions) on a discrete set are in bijective correspondence with digraph structures where the vertices are given by the elements of the set. A particular class of digraphs are Cayley graphs, also known as group lattices. They are determined by a discrete group G and a finite subset S. There is a distinguished subclass of ''bicovariant'' Cayley graphs with the property ad(S)S subset of S. We explore the properties of differential calculi which arise from Cayley graphs via the above correspondence. The first-order calculi extend to higher orders and then allow us to introduce further differential geometric structures. Furthermore, we explore the properties of ''discrete'' vector fields which describe deterministic flows on group lattices. A Lie derivative with respect to a discrete vector field and an inner product with forms is defined. The Lie-Cartan identity then holds on all forms for a certain subclass of discrete vector fields. We develop elements of gauge theory and construct an analog of the lattice gauge theory (Yang-Mills) action on an arbitrary group lattice. Also linear connections are considered and a simple geometric interpretation of the torsion is established. By taking a quotient with respect to some subgroup of the discrete group, generalized differential calculi associated with so-called Schreier diagrams are obtained

  12. Lattice dynamics of lithium oxide

    Indian Academy of Sciences (India)

    Abstract. Li2O finds several important technological applications, as it is used in solid- state batteries, can be used as a blanket breeding material in nuclear fusion reactors, etc. Li2O exhibits a fast ion phase, characterized by a thermally induced dynamic disorder in the anionic sub-lattice of Li+, at elevated temperatures ...

  13. Lattice fields and strong interactions

    International Nuclear Information System (INIS)

    Creutz, M.

    1989-06-01

    I review the lattice formulation of gauge theories and the use of numerical methods to investigate nonperturbative phenomena. These methods are directly applicable to studying hadronic matter at high temperatures. Considerable recent progress has been made in numerical algorithms for including dynamical fermions in such calculations. Dealing with a nonvanishing baryon density adds new unsolved challenges. 33 refs

  14. Mean-field lattice trees

    NARCIS (Netherlands)

    Borgs, C.; Chayes, J.T.; Hofstad, van der R.W.; Slade, G.

    1999-01-01

    We introduce a mean-field model of lattice trees based on embeddings into d of abstract trees having a critical Poisson offspring distribution. This model provides a combinatorial interpretation for the self-consistent mean-field model introduced previously by Derbez and Slade [9], and provides an

  15. Lattice quantum chromodynamics: Some topics

    Indian Academy of Sciences (India)

    I will begin with a lightning quick overview of the basic lattice gauge theory and then go on to .... The Monte Carlo technique to evaluate C(t), or the expectation value of any other observable ... x }occurs with a probability proportional to. 890.

  16. 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.

  17. Fields on a random lattice

    International Nuclear Information System (INIS)

    Itzykson, C.

    1983-10-01

    We review the formulation of field theory and statistical mechanics on a Poissonian random lattice. Topics discussed include random geometry, the construction of field equations for arbitrary spin, the free field spectrum and the question of localization illustrated in the one dimensional case

  18. 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

  19. 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

  20. 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...

  1. 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.

  2. 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.)

  3. 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.)

  4. 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.)

  5. 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)

  6. 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...

  7. 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

  8. 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

  9. Chiral fermions on the lattice

    International Nuclear Information System (INIS)

    Randjbar Daemi, S.; Strathdee, J.

    1995-01-01

    The overlap approach to chiral gauge theories on arbitrary D-dimensional lattices is studied. The doubling problem and its relation to chiral anomalies for D = 2 and 4 is examined. In each case it is shown that the doublers can be eliminated and the well known perturbative results for chiral anomalies can be recovered. We also consider the multi-flavour case and give the general criteria for the construction of anomaly free chiral gauge theories on arbitrary lattices. We calculate the second order terms in a continuum approximation to the overlap formula in D dimensions and show that they coincide with the bilinear part of the effective action of D-dimensional Weyl fermions coupled to a background gauge field. Finally, using the same formalism we reproduce the correct Lorentz, diffeomorphism and gauge anomalies in the coupling of a Weyl fermion to 2-dimensional gravitation and Maxwell fields. (author). 15 refs

  10. Entropy favours open colloidal lattices

    Science.gov (United States)

    Mao, Xiaoming; Chen, Qian; Granick, Steve

    2013-03-01

    Burgeoning experimental and simulation activity seeks to understand the existence of self-assembled colloidal structures that are not close-packed. Here we describe an analytical theory based on lattice dynamics and supported by experiments that reveals the fundamental role entropy can play in stabilizing open lattices. The entropy we consider is associated with the rotational and vibrational modes unique to colloids interacting through extended attractive patches. The theory makes predictions of the implied temperature, pressure and patch-size dependence of the phase diagram of open and close-packed structures. More generally, it provides guidance for the conditions at which targeted patchy colloidal assemblies in two and three dimensions are stable, thus overcoming the difficulty in exploring by experiment or simulation the full range of conceivable parameters.

  11. Electroweak interactions on the lattice

    International Nuclear Information System (INIS)

    Kieu, T.D.

    1994-07-01

    It is shown that the lattice fermion doubling phenomenon is connected to the chiral anomaly which is unique to the electroweak interactions. The chiral anomaly is the breaking of chiral gauge symmetry at the quantum level due to the quantum fluctuations. Such breaking, however, is undesirable and to be avoided. The preservation of gauge symmetry imposes stringent constraints on acceptable chiral gauge theory. It is argued that the constraints are unnecessary because the conventional quantization of chiral gauge theory has missed out some crucial contributions of the chiral interactions. The corrected quantization yields consistent theory in which there is no gauge anomaly and in which various mass terms can be introduced with neither the loss of gauge invariance nor the need for the Higgs mechanism. The new quantization also provide a solution to the difficulty of how to model the electroweak interactions on the lattice. 9 refs. 1 fig

  12. Entanglement scaling in lattice systems

    Energy Technology Data Exchange (ETDEWEB)

    Audenaert, K M R [Institute for Mathematical Sciences, Imperial College London, 53 Prince' s Gate, Exhibition Road, London SW7 2PG (United Kingdom); Cramer, M [QOLS, Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Eisert, J [Institute for Mathematical Sciences, Imperial College London, 53 Prince' s Gate, Exhibition Road, London SW7 2PG (United Kingdom); Plenio, M B [Institute for Mathematical Sciences, Imperial College London, 53 Prince' s Gate, Exhibition Road, London SW7 2PG (United Kingdom)

    2007-05-15

    We review some recent rigorous results on scaling laws of entanglement properties in quantum many body systems. More specifically, we study the entanglement of a region with its surrounding and determine its scaling behaviour with its size for systems in the ground and thermal states of bosonic and fermionic lattice systems. A theorem connecting entanglement between a region and the rest of the lattice with the surface area of the boundary between the two regions is presented for non-critical systems in arbitrary spatial dimensions. The entanglement scaling in the field limit exhibits a peculiar difference between fermionic and bosonic systems. In one-spatial dimension a logarithmic divergence is recovered for both bosonic and fermionic systems. In two spatial dimensions in the setting of half-spaces however we observe strict area scaling for bosonic systems and a multiplicative logarithmic correction to such an area scaling in fermionic systems. Similar questions may be posed and answered in classical systems.

  13. Transitionless lattices for LAMPF II

    International Nuclear Information System (INIS)

    Franczak, B.J.

    1984-10-01

    Some techniques are described for the design of synchrotron lattices that have zero dispersion in the straight sections and/or imaginary transition energy (negative momentum-compaction factor) but no excessive amplitudes of the dispersion function. Included as an application is a single-stage synchrotron, with variable optics, that has different ion-optical properties at injection and extraction but requires a complex way of programming the quadrupoles. In addition, a two-stage facility consisting of a 45-GeV synchrotron of 1100-m circumference and a 9-GeV booster of half that size is presented. As alternates to these separated-function lattices, some combined-function modules are given that can be used to construct a synchrotron with similar properties

  14. Graphene antidot lattice transport measurements

    DEFF Research Database (Denmark)

    Mackenzie, David; Cagliani, Alberto; Gammelgaard, Lene

    2017-01-01

    We investigate graphene devices patterned with a narrow band of holes perpendicular to the current flow, a few-row graphene antidot lattice (FR-GAL). Theoretical reports suggest that a FR-GAL can have a bandgap with a relatively small reduction of the transmission compared to what is typical...... for antidot arrays devices. Graphene devices were fabricated using 100 keV electron beam lithography (EBL) for nanopatterning as well as for defining electrical contacts. Patterns with hole diameter and neck widths of order 30 nm were produced, which is the highest reported pattern density of antidot lattices...... in graphene reported defined by EBL. Electrical measurements showed that devices with one and five rows exhibited field effect mobility of ∼100 cm2/Vs, while a larger number of rows, around 40, led to a significant reduction of field effect mobility (

  15. Cellular automata in cytoskeletal lattices

    Energy Technology Data Exchange (ETDEWEB)

    Smith, S A; Watt, R C; Hameroff, S R

    1984-01-01

    Cellular automata (CA) activities could mediate biological regulation and information processing via nonlinear electrodynamic effects in cytoskeletal lattice arrays. Frohlich coherent oscillations and other nonlinear mechanisms may effect discrete 10/sup -10/ to 10/sup -11/ s interval events which result in dynamic patterns in biolattices such as cylindrical protein polymers: microtubules (MT). Structural geometry and electrostatic forces of MT subunit dipole oscillations suggest neighbor rules among the hexagonally packed protein subunits. Computer simulations using these suggested rules and MT structural geometry demonstrate CA activities including dynamical and stable self-organizing patterns, oscillators, and traveling gliders. CA activities in MT and other cytoskeletal lattices may have important biological regulatory functions. 23 references, 6 figures, 1 table.

  16. Innovations in lattice QCD algorithms

    International Nuclear Information System (INIS)

    Orginos, Konstantinos

    2006-01-01

    Lattice QCD calculations demand a substantial amount of computing power in order to achieve the high precision results needed to better understand the nature of strong interactions, assist experiment to discover new physics, and predict the behavior of a diverse set of physical systems ranging from the proton itself to astrophysical objects such as neutron stars. However, computer power alone is clearly not enough to tackle the calculations we need to be doing today. A steady stream of recent algorithmic developments has made an important impact on the kinds of calculations we can currently perform. In this talk I am reviewing these algorithms and their impact on the nature of lattice QCD calculations performed today

  17. Baryon structure from lattice QCD

    International Nuclear Information System (INIS)

    Alexandrou, C.

    2009-01-01

    We present recent lattice results on the baryon spectrum, nucleon electromagnetic and axial form factors, nucleon to Δ transition form factors as well as the Δ electromagnetic form factors. The masses of the low lying baryons and the nucleon form factors are calculated using two degenerate flavors of twisted mass fermions down to pion mass of about 270 MeV. We compare to the results of other collaborations. The nucleon to Δ transition and Δ form factors are calculated in a hybrid scheme, which uses staggered sea quarks and domain wall valence quarks. The dominant magnetic dipole nucleon to Δ transition form factor is also evaluated using dynamical domain wall fermions. The transverse density distributions of the Δ in the infinite momentum frame are extracted using the form factors determined from lattice QCD. (author)

  18. Multigrid for Staggered Lattice Fermions

    Energy Technology Data Exchange (ETDEWEB)

    Brower, Richard C. [Boston U.; Clark, M. A. [Unlisted, US; Strelchenko, Alexei [Fermilab; Weinberg, Evan [Boston U.

    2018-01-23

    Critical slowing down in Krylov methods for the Dirac operator presents a major obstacle to further advances in lattice field theory as it approaches the continuum solution. Here we formulate a multi-grid algorithm for the Kogut-Susskind (or staggered) fermion discretization which has proven difficult relative to Wilson multigrid due to its first-order anti-Hermitian structure. The solution is to introduce a novel spectral transformation by the K\\"ahler-Dirac spin structure prior to the Galerkin projection. We present numerical results for the two-dimensional, two-flavor Schwinger model, however, the general formalism is agnostic to dimension and is directly applicable to four-dimensional lattice QCD.

  19. 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.

  20. 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)

  1. 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.

  2. 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

  3. Scale setting in lattice QCD

    International Nuclear Information System (INIS)

    Sommer, Rainer

    2014-02-01

    The principles of scale setting in lattice QCD as well as the advantages and disadvantages of various commonly used scales are discussed. After listing criteria for good scales, I concentrate on the main presently used ones with an emphasis on scales derived from the Yang-Mills gradient flow. For these I discuss discretisation errors, statistical precision and mass effects. A short review on numerical results also brings me to an unpleasant disagreement which remains to be explained.

  4. Apiary B Factory lattice design

    International Nuclear Information System (INIS)

    Donald, M.H.R.; Garren, A.A.

    1991-04-01

    The Apiary B Factory is a proposed high-intensity electron-positron collider. This paper will present the lattice design for this facility, which envisions two rings with unequal energies in the PEP tunnel. The design has many interesting optical and geometrical features due to the needs to conform to the existing tunnel, and to achieve the necessary emittances, damping times and vacuum. Existing hardware is used to a maximum extent. 8 figs. 1 tab

  5. BROOKHAVEN: Lattice gauge theory symposium

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1986-12-15

    Originally introduced by Kenneth Wilson in the early 70s, the lattice formulation of a quantum gauge theory became a hot topic of investigation after Mike Creutz, Laurence Jacobs and Claudio Rebbi demonstrated in 1979 the feasibility of meaningful computer simulations. The initial enthusiasm led gradually to a mature research effort, with continual attempts to improve upon previous results, to develop better computational techniques and to find new domains of application.

  6. Harmonic Lattice Dynamics of Germanium

    Energy Technology Data Exchange (ETDEWEB)

    Nelin, G

    1974-07-01

    The phonon dispersion relations of the DELTA-, LAMBDA-, and SIGMA-directions of germanium at 80 K are analysed in terms of current harmonic lattice dynamical models. On the basis of this experience, a new model is proposed which gives a unified account of the strong points of the previous models. The principal elements of the presented theory are quasiparticle bond charges combined with a valence force field.

  7. Screening in graphene antidot lattices

    DEFF Research Database (Denmark)

    Schultz, Marco Haller; Jauho, A. P.; Pedersen, T. G.

    2011-01-01

    We compute the dynamical polarization function for a graphene antidot lattice in the random-phase approximation. The computed polarization functions display a much more complicated structure than what is found for pristine graphene (even when evaluated beyond the Dirac-cone approximation...... the plasmon dispersion law and find an approximate square-root dependence with a suppressed plasmon frequency as compared to doped graphene. The plasmon dispersion is nearly isotropic and the developed approximation schemes agree well with the full calculation....

  8. Symplectic maps for accelerator lattices

    International Nuclear Information System (INIS)

    Warnock, R.L.; Ruth, R.; Gabella, W.

    1988-05-01

    We describe a method for numerical construction of a symplectic map for particle propagation in a general accelerator lattice. The generating function of the map is obtained by integrating the Hamilton-Jacobi equation as an initial-value problem on a finite time interval. Given the generating function, the map is put in explicit form by means of a Fourier inversion technique. We give an example which suggests that the method has promise. 9 refs., 9 figs

  9. Harmonic Lattice Dynamics of Germanium

    International Nuclear Information System (INIS)

    Nelin, G.

    1974-01-01

    The phonon dispersion relations of the Δ-, Λ-, and Σ-directions of germanium at 80 K are analysed in terms of current harmonic lattice dynamical models. On the basis of this experience, a new model is proposed which gives a unified account of the strong points of the previous models. The principal elements of the presented theory are quasiparticle bond charges combined with a valence force field

  10. Scale setting in lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Sommer, Rainer [DESY, Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2014-02-15

    The principles of scale setting in lattice QCD as well as the advantages and disadvantages of various commonly used scales are discussed. After listing criteria for good scales, I concentrate on the main presently used ones with an emphasis on scales derived from the Yang-Mills gradient flow. For these I discuss discretisation errors, statistical precision and mass effects. A short review on numerical results also brings me to an unpleasant disagreement which remains to be explained.

  11. Wave transmission in nonlinear lattices

    International Nuclear Information System (INIS)

    Hennig, D.; Tsironis, G.P.

    1999-01-01

    The interplay of nonlinearity with lattice discreteness leads to phenomena and propagation properties quite distinct from those appearing in continuous nonlinear systems. For a large variety of condensed matter and optics applications the continuous wave approximation is not appropriate. In the present review we discuss wave transmission properties in one dimensional nonlinear lattices. Our paradigmatic equations are discrete nonlinear Schroedinger equations and their study is done through a dynamical systems approach. We focus on stationary wave properties and utilize well known results from the theory of dynamical systems to investigate various aspects of wave transmission and wave localization. We analyze in detail the more general dynamical system corresponding to the equation that interpolates between the non-integrable discrete nonlinear Schroedinger equation and the integrable Albowitz-Ladik equation. We utilize this analysis in a nonlinear Kronig-Penney model and investigate transmission and band modification properties. We discuss the modifications that are effected through an electric field and the nonlinear Wannier-Stark localization effects that are induced. Several applications are described, such as polarons in one dimensional lattices, semiconductor superlattices and one dimensional nonlinear photonic band gap systems. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  12. Spin lattices of walking droplets

    Science.gov (United States)

    Saenz, Pedro; Pucci, Giuseppe; Goujon, Alexis; Dunkel, Jorn; Bush, John

    2017-11-01

    We present the results of an experimental investigation of the spontaneous emergence of collective behavior in spin lattice of droplets walking on a vibrating fluid bath. The bottom topography consists of relatively deep circular wells that encourage the walking droplets to follow circular trajectories centered at the lattice sites, in one direction or the other. Wave-mediated interactions between neighboring drops are enabled through a thin fluid layer between the wells. The sense of rotation of the walking droplets may thus become globally coupled. When the coupling is sufficiently strong, interactions with neighboring droplets may result in switches in spin that lead to preferred global arrangements, including correlated (all drops rotating in the same direction) or anti-correlated (neighboring drops rotating in opposite directions) states. Analogies with ferromagnetism and anti-ferromagnetism are drawn. Different spatial arrangements are presented in 1D and 2D lattices to illustrate the effects of topological frustration. This work was supported by the US National Science Foundation through Grants CMMI-1333242 and DMS-1614043.

  13. Calculational methods for lattice cells

    International Nuclear Information System (INIS)

    Askew, J.R.

    1980-01-01

    At the current stage of development, direct simulation of all the processes involved in the reactor to the degree of accuracy required is not an economic proposition, and this is achieved by progressive synthesis of models for parts of the full space/angle/energy neutron behaviour. The split between reactor and lattice calculations is one such simplification. Most reactors are constructed of repetitions of similar geometric units, the fuel elements, having broadly similar properties. Thus the provision of detailed predictions of their behaviour is an important step towards overall modelling. We shall be dealing with these lattice methods in this series of lectures, but will refer back from time to time to their relationship with overall reactor calculation The lattice cell is itself composed of somewhat similar sub-units, the fuel pins, and will itself often rely upon a further break down of modelling. Construction of a good model depends upon the identification, on physical and mathematical grounds, of the most helpful division of the calculation at this level

  14. 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

  15. 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

  16. 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.

  17. 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

  18. 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...

  19. 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)

  20. 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.

  1. 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.

  2. Hydrothermal degradation of tetragonal ZrO{sub 2} ceramic components used in dental applications; Efeito da degradacao em meio aquoso de componentes ceramicos a base de ZrO{sub 2} tetragonal para uso odontologico

    Energy Technology Data Exchange (ETDEWEB)

    Mukaeda, L.E.; Robin, A.; Taguchi, S.P. [Universidade de Sao Paulo (DEMAR/EEL/USP), Lorena, SP (Brazil). Escola de Engenharia de Lorena. Dept. de Engenharia de Materiais; Santos, C. [ProtMat Materiais Avancados, Guaratingueta, SP (Brazil)

    2009-07-01

    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{sub 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)

  3. Magnetic ordering in tetragonal FeS: Evidence for strong itinerant spin fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Kwon, K.D.; Refson, K.; Bone, S.; Qiao, R.; Yang, W.; Liu, Z.; Sposito, G.

    2010-11-01

    Mackinawite is a naturally occurring layer-type FeS mineral important in biogeochemical cycles and, more recently, in the development of microbial fuel cells. Conflicting results have been published as to the magnetic properties of this mineral, with Moessbauer spectroscopy indicating no magnetic ordering down to 4.2 K but density functional theory (DFT) predicting an antiferromagnetic ground state, similar to the Fe-based high-temperature superconductors with which it is isostructural and for which it is known that magnetism is suppressed by strong itinerant spin fluctuations. We investigated this latter possibility for mackinawite using photoemission spectroscopy, near-edge x-ray absorption fine structure spectroscopy, and DFT computations. Our Fe 3{sub s} core-level photoemission spectrum of mackinawite showed a clear exchange-energy splitting (2.9 eV) consistent with a 1 {micro}{sub B} magnetic moment on the Fe ions, while the Fe L-edge x-ray absorption spectrum indicated rather delocalized Fe 3{sub d} electrons in mackinawite similar to those in Fe metal. Our DFT computations demonstrated that the ground state of mackinawite is single-stripe antiferromagnetic, with an Fe magnetic moment (2.7 {micro}{sub B}) that is significantly larger than the experimental estimate and has a strong dependence on the S height and lattice parameters. All of these trends signal the existence of strong itinerant spin fluctuations. If spin fluctuations prove to be mediators of electron pairing, we conjecture that mackinawite may be one of the simplest Fe-based superconductors.

  4. Nucleon deformation from lattice QCD

    International Nuclear Information System (INIS)

    Tsapalis, A.

    2008-01-01

    The issue of nucleon and Delta(1232) deformation is discussed through the evaluation of the N to Delta electromagnetic transition and Delta electromagnetic form factors in Lattice QCD. The momentum dependence of the form factors is studied using 2+1 staggered dynamical flavors at pion masses as low as 350 MeV and compared to results obtained in the Wilson quenched and two-flavor dynamical theory at similar pion masses. The measurement of small non-zero quadrupole amplitudes, in agreement to recent experiments, establishes the existence of deformation in the N and Delta states. (author)

  5. Nucleon Structure from Lattice QCD

    International Nuclear Information System (INIS)

    Zanotti, J. M.

    2011-01-01

    Lattice simulations of hadronic structure are now reaching a level where they are able to not only complement, but also provide guidance to current and forthcoming experimental programmes.By considering new simulations at low quark masses and on large volumes, we review the recent progress that has been made in this area by the QCDSF/UKQCD collaboration. In particular, results obtained close to the physical point for several quantities, including electromagnetic form factors and moments of parton distribution functions, show some indication of approaching their phenomenological values.

  6. GLAD: a generic lattice debugger

    International Nuclear Information System (INIS)

    Lee, M.J.

    1992-01-01

    Today, numerous simulation and analysis codes exist for the design, commission, and operation of accelerator beam lines. There is a need to develop a common user interface and database link to run these codes interactively. This paper will describe a proposed system, GLAD (Generic LAttice Debugger), to fulfill this need. Specifically, GLAD can be used to find errors in beam lines during commissioning, control beam parameters during operation, and design beam line optics and error correction systems for the next generation of linear accelerators and storage rings. (author)

  7. Lattice dynamics of ionic crystals

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1990-01-01

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

  8. Degeneración Lattice

    OpenAIRE

    Rojas Bocanegra, Alberto

    2004-01-01

    Objetivo: Determinar la prevalencia de degeneración periférica de retina Lattice y su relación con estados refractivos y rupturas retinales. Metodología: Estudio de corte transversal con exploración de asociación, mediante análisis de casos y controles. Se examinaron 680 ojos en el Instituto de Investigaciones Optométricas e Instituto de Córnea. El estado refractivo se determinó mediante técnica estática y el estado retinal mediante oftalmoscopia indirecta con indentación escleral. Resultados...

  9. Lattice degeneration of the retina.

    Science.gov (United States)

    Byer, N E

    1979-01-01

    Lattice degeneration of the retina is the most important of all clinically distinct entities that effect the peripheral fundus and are related to retinal detachment. The purpose of this review is to survey the extensive literature, to evaluate the many diverse opinions on this subject, and to correlate and summarize all the known facts regarding this disease entity. The disease is fully defined and described, both clinically and histologically. Some aspects of the disease are still poorly understood, and some remain controversial, especially in the area of management. For this reason, the indications for treatment are discussed under eight subsections, with a view toward providing practical guidelines for recommendations in management.

  10. The lattice dynamics of imidazole

    International Nuclear Information System (INIS)

    Link, K.H.

    1983-05-01

    The lattice dynamics of imidazole have been investigated. To this end dispersion curves have been determined at 10 K by inelastic coherent neutron scattering. RAMAN measurements have been done to investigate identical gamma - point modes. The combination of extinction rules for RAMAN - and neutron scattering leads to the symmetry assignment of identical gamma - point modes. The experiment yields a force constant of the streching vibration of the hydrogen bond of 0.33 mdyn/A. A force model has been developed to describe the intermolecular atom - atom Interactions in imidazole. (orig./BHO)

  11. 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.

  12. 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.)

  13. 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.

  14. 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.

  15. 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

  16. Influence of surface treatment of yttria-stabilized tetragonal zirconia polycrystal with hot isostatic pressing on cyclic fatigue strength.

    Science.gov (United States)

    Iijima, Toshihiko; Homma, Shinya; Sekine, Hideshi; Sasaki, Hodaka; Yajima, Yasutomo; Yoshinari, Masao

    2013-01-01

    Hot isostatic pressing processed yttria-stabilized tetragonal zirconia polycrystal (HIP Y-TZP) has the potential for application to implants due to its high mechanical performance. The aim of this study was to investigate the influence of surface treatment of HIP Y-TZP on cyclic fatigue strength. HIP Y-TZP specimens were subjected to different surface treatments. Biaxial flexural strength was determined by both static and cyclic fatigue testing. In the cyclic fatigue test, the load was applied at a frequency of 10 Hz for 10(6) cycles in distilled water at 37°C. The surface morphology, roughness, and crystal phase of the surfaces were also evaluated. The cyclic fatigue strength (888 MPa) of HIP Y-TZP with sandblasting and acid-etching was more than twice that of Y-TZP as specified in ISO 13356 for surgical implants (320 MPa), indicating the clinical potential of this material.

  17. A self-ordered, body-centered tetragonal superlattice of SiGe nanodot growth by reduced pressure CVD

    Science.gov (United States)

    Yamamoto, Yuji; Zaumseil, Peter; Capellini, Giovanni; Schubert, Markus Andreas; Hesse, Anne; Albani, Marco; Bergamaschini, Roberto; Montalenti, Francesco; Schroeder, Thomas; Tillack, Bernd

    2017-12-01

    Self-ordered three-dimensional body-centered tetragonal (BCT) SiGe nanodot structures are fabricated by depositing SiGe/Si superlattice layer stacks using reduced pressure chemical vapor deposition. For high enough Ge content in the island (>30%) and deposition temperature of the Si spacer layers (T > 700 °C), we observe the formation of an ordered array with islands arranged in staggered position in adjacent layers. The in plane periodicity of the islands can be selected by a suitable choice of the annealing temperature before the Si spacer layer growth and of the SiGe dot volume, while only a weak influence of the Ge concentration is observed. Phase-field simulations are used to clarify the driving force determining the observed BCT ordering, shedding light on the competition between heteroepitaxial strain and surface-energy minimization in the presence of a non-negligible surface roughness.

  18. Tetragonal zirconia ceramics in Zr O2-Ce O2 system (Ce-TZP): preparation, characterization and mechanical properties

    International Nuclear Information System (INIS)

    Andrade Nono, M.C. de.

    1992-01-01

    This paper describes and discusses the results achieved in a study about Ce-TZP ceramics prepared from conventional powder mixtures of Zr O 2 and Ce O 2 (with composition in the range of 8 to 16 mol% Ce O 2 ). Physical and chemical characteristics were related with the powder compaction behavior and with the sintering state. The sintered ceramics showed a level of high porosity (≅ 4%), mainly due to the fairly adequate powder characteristics and compaction. The crystalline phases were analysed from X-rays diffraction data and showed that these ceramics can present tetragonal-to-monoclinic stress induced transformation. The bending strength, fracture toughness and Vickers hardness results were influenced by Ce O 2 content microstructure and sintering temperature. These Ce-TZP ceramics showed mechanical strength results comparable to those published in the international literature. (author)

  19. Effect of intracrystalline water on micro-Vickers hardness in tetragonal hen egg-white lysozyme single crystals

    International Nuclear Information System (INIS)

    Koizumi, H; Kawamoto, H; Tachibana, M; Kojima, K

    2008-01-01

    Mechanical properties of high quality tetragonal hen egg-white lysozyme single crystals which are one type of protein crystal were investigated by the indentation method. The indentation marks were clearly observed on the crystal surface and no elastic recovery of them occurred. The value of the micro-Vickers hardness in the wet condition was estimated to be about 20 MPa at room temperature. The hardness greatly depended on the amount of intracrystalline water (mobile water) contained in the crystals. The hardness increased with increasing evaporation time to air at room temperature. It reached the maximum at about 260 MPa, which is 13 times as much as that in the wet condition. The origin of such a change in hardness was explained in terms of the dislocation mechanisms in lysozyme single crystals

  20. Electric-field tunable perpendicular magnetic anisotropy in tetragonal Fe4N/BiFeO3 heterostructures

    Science.gov (United States)

    Yin, Li; Wang, Xiaocha; Mi, Wenbo

    2017-07-01

    Electric field control on perpendicular magnetic anisotropy (PMA) is indispensable for spintronic devices. Herewith, in tetragonal Fe4N/BiFeO3 heterostructures with the FeAFeB/Fe-O2 interface, PMA in each Fe4N layer, not merely interfacial layers, is modulated by the electric field, which is attributed to the broken spin screening of the electric field in highly spin-polarized Fe4N. Moreover, the periodical dx y+dy z+dz2 and dx y+dx2-y2 orbital-PMA oscillation enhances the interactions between adjacent FeAFeB and (FeB)2N atomic layers, which benefits the electric field modulation on PMA in the whole Fe4N atomic layers. The electric-field control on PMA in Fe4N/BiFeO3 heterostructures is favored by the electric-field-lifted potential in Fe4N.

  1. Introduction to Vortex Lattice Theory

    Directory of Open Access Journals (Sweden)

    Santiago Pinzón

    2015-10-01

    Full Text Available Panel methods have been widely used in industry and are well established since the 1970s for aerodynamic analysis and computation. The Vortex Lattice Panel Method presented in this study comes across a sophisticated method that provides a quick solution time, allows rapid changes in geometry and suits well for aerodynamic analysis. The aerospace industry is highly competitive in design efficiency, and perhaps one of the most important factors on airplane design and engineering today is multidisciplinary optimization.  Any cost reduction method in the design cycle of a product becomes vital in the success of its outcome. The subsequent sections of this article will further explain in depth the theory behind the vortex lattice method, and the reason behind its selection as the method for aerodynamic analysis during preliminary design work and computation within the aerospace industry. This article is analytic in nature, and its main objective is to present a mathematical summary of this widely used computational method in aerodynamics.

  2. Coherent lattice vibrations in superconductors

    International Nuclear Information System (INIS)

    Kadin, Alan M.

    2008-01-01

    A recent analysis has shown that the pair wavefunction within the BCS theory may be represented in real-space as a spherical electronic orbital (on the scale of the coherence length ξ 0 ) coupled to a standing-wave lattice vibration with wavevector 2k F and a near-resonant phonon frequency. The present paper extends this picture to a coherent pattern of phonon standing-waves on the macroscopic scale, with electrons forming Bloch waves and an energy gap much like those in the classic band theory of crystals. These parallel planes form a diffractive waveguide permitting electron waves to traveling parallel to the planes, corresponding to lossless supercurrent. A similar picture may be extended to unconventional superconductors such as the cuprates, with an array of standing spin waves rather than phonons. Such coherent lattice vibrations should be universal indicators of the superconducting state, and should be observable below T c using X-ray and neutron diffraction techniques. Further implications of this picture are discussed

  3. Lattice dynamics in solid oxygen

    International Nuclear Information System (INIS)

    Kobashi, K.; Klein, M.L.; Chandrasekharan, V.

    1979-01-01

    Lattice dynamical calculations for the bulk α, β, and γ phases of solid O 2 and for the monolayer α and β phases have been made in the harmonic approximation. In the α and β phases, atom-atom 6-12 potentials are employed. In the γ phase, effective potentials are used between molecular centers and only the translational lattice vibrations are calculated. It is found that Laufer and Leroi's potential parameters give two k=O frequencies at 42.7 and 43.6 cm -1 in the bulk α-O 2 , and at 40.7 cm -1 for the degenerate k=0 modes in the β phase. The observed Raman lines for α-O 2 at 43 and 79 cm -1 , which are both known to exhibit isotope shifts, are thus tentatively assigned to an accidentally degenerate line and a two-phonon band, respectively, In view of the possible contribution from anharmonic effects, the agreement of the calculation with experiment (48-51 cm -1 ) in β-O 2 may be better than it seems. For the bulk γ-O 2 , a discrepancy is observed between the calculated elastic constants and those derived from Brillouin scattering experiments. This discrepancy may be due to the neglect of translation-rotation coupling. In the monolayer O 2 , Raman active modes at 28.3 and 40.6 cm -1 for the α phase, and 31.9 cm -1 for the β phase are predicted

  4. 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.

  5. 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)

  6. 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.)

  7. 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

  8. 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.

  9. 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.

  10. 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.)

  11. 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.

  12. 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.

  13. Hadron physics from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Andreas [Regensburg Univ. (Germany). Inst. for Theoretical Physics

    2016-11-01

    Particle physics experiments at modern high luminosity particle accelerators achieve orders of magnitude higher count rates than what was possible ten or twenty years ago. This extremely large statistics allows to draw far reaching conclusions even from minute signals, provided that these signals are well understood by theory. This is, however, ever more difficult to achieve. Presently, technical and scientific progress in general and experimental progress in particle physics in particular, shows typically an exponential growth rate. For example, data acquisition and analysis are, among many other factor, driven by the development of ever more efficient computers and thus by Moore's law. Theory has to keep up with this development by also achieving an exponential increase in precision, which is only possible using powerful computers. This is true for both types of calculations, analytic ones as, e.g., in quantum field perturbation theory, and purely numerical ones as in Lattice QCD. As stated above such calculations are absolutely indispensable to make best use of the extremely costly large particle physics experiments. Thus, it is economically reasonable to invest a certain percentage of the cost of accelerators and experiments in related theory efforts. The basic ideas behind Lattice QCD simulations are the following: Because quarks and gluons can never be observed individually but are always ''confined'' into colorless hadrons, like the proton, all quark-gluon states can be expressed in two different systems of basis states, namely in a quark-gluon basis and the basis of hadron states. The proton, e.g., is an eigenstate of the latter, a specific quark-gluon configuration is part of the former. In the quark-gluon basis a physical hadron, like a proton, is given by an extremely complicated multi-particle wave function containing all effects of quantum fluctuations. This state is so complicated that it is basically impossible to model it

  14. 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.)

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. Pion structure from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Javadi Motaghi, Narjes

    2015-05-12

    In this thesis we use lattice QCD to compute the second Mellin moments of pion generalized parton distributions and pion electromagnetic form factors. For our calculations we are able to analyze a large set of gauge configurations with 2 dynamical flavours using non-perturbatively the improved Wilson-Sheikholeslami-Wohlert fermionic action pion masses ranging down to 151 MeV. By employing improved smearing we were able to suppress excited state contamination. However, our data in the physical quark mass limit show that some excited state contamination remains. We show the non-zero sink momentum is optimal for the computation of the electromagnetic form factors and generalized form factors at finite momenta.

  20. Computer programs for lattice calculations

    International Nuclear Information System (INIS)

    Keil, E.; Reich, K.H.

    1984-01-01

    The aim of the workshop was to find out whether some standardisation could be achieved for future work in this field. A certain amount of useful information was unearthed, and desirable features of a ''standard'' program emerged. Progress is not expected to be breathtaking, although participants (practically from all interested US, Canadian and European accelerator laboratories) agreed that the mathematics of the existing programs is more or less the same. Apart from the NIH (not invented here) effect, there is a - to quite some extent understandable - tendency to stay with a program one knows and to add to it if unavoidable rather than to start using a new one. Users of the well supported program TRANSPORT (designed for beam line calculations) would prefer to have it fully extended for lattice calculations (to some extent already possible now), while SYNCH users wish to see that program provided with a user-friendly input, rather than spending time and effort for mastering a new program

  1. Monte Carlo lattice program KIM

    International Nuclear Information System (INIS)

    Cupini, E.; De Matteis, A.; Simonini, R.

    1980-01-01

    The Monte Carlo program KIM solves the steady-state linear neutron transport equation for a fixed-source problem or, by successive fixed-source runs, for the eigenvalue problem, in a two-dimensional thermal reactor lattice. Fluxes and reaction rates are the main quantities computed by the program, from which power distribution and few-group averaged cross sections are derived. The simulation ranges from 10 MeV to zero and includes anisotropic and inelastic scattering in the fast energy region, the epithermal Doppler broadening of the resonances of some nuclides, and the thermalization phenomenon by taking into account the thermal velocity distribution of some molecules. Besides the well known combinatorial geometry, the program allows complex configurations to be represented by a discrete set of points, an approach greatly improving calculation speed

  2. Particle states of lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Kapoyannis, A.S.; Panagiotou, A.D. [University of Athens, Nuclear and Particle Physics Section, Faculty of Physics, Athens (Greece)

    2017-11-15

    We determine the degeneracy factor and the average particle mass of particles that produce the lattice QCD pressure and specific entropy at zero baryon chemical potential. The number of states of the gluons and the quarks are found to converge above T = 230 MeV to almost constant values, close to the number of states of an ideal quark-gluon phase, while their assigned masses retain high values. The number of states and the average mass of a system containing quarks in interaction with gluons are found to decrease steeply with increase of temperature between T ∝ 150 and 160 MeV, a region contained within the region of the chiral transition. The minimum value of the number of states within this temperature interval indicates that the states are of hadronic nature. (orig.)

  3. Fermion determinants in lattice QCD

    International Nuclear Information System (INIS)

    Johnson, Christopher Andrew

    2001-01-01

    The main topic of this thesis concerns efficient algorithms for the calculation of determinants of the kind of matrix typically encountered in lattice QCD. In particular an efficient method for calculating the fermion determinant is described. Such a calculation is useful to illustrate the effects of light dynamical (virtual) quarks. The methods employed in this thesis are stochastic methods, based on the Lanczos algorithm, which is used for the solution of large, sparse matrix problems via a partial tridiagonalisation of the matrix. Here an implementation is explored which requires less exhaustive treatment of the matrix than previous Lanczos methods. This technique exploits the analogy between the Lanczos tridiagonalisation algorithm and Gaussian quadrature in order to calculate the fermion determinant. A technique for determining a number of the eigenvalues of the matrix is also presented. A demonstration is then given of how one can improve upon this estimate considerably using variance reduction techniques, reducing the variance by a factor of order 100 with a further, equal amount of work. The variance reduction method is a two-stage process, involving a Chebyshev approximation to the quantity in question and then the subtraction of traceless operators. The method is applied to the fermion determinant for non-perturbatively improved Wilson fermions on a 16 3 x 32 lattice. It is also applicable to a wider class of matrix operators. Finally we discuss how dynamical quark effects may be simulated in a Monte Carlo process with an effective partitioning of low and high eigenmodes. This may be done via selective updating of a trial configuration which highlights the physically relevant effects of light quark modes. (author)

  4. An Application of Linear Algebra over Lattices

    Directory of Open Access Journals (Sweden)

    M. Hosseinyazdi

    2008-03-01

    Full Text Available In this paper, first we consider L n as a semimodule over a complete bounded distributive lattice L. Then we define the basic concepts of module theory for L n. After that, we proved many similar theorems in linear algebra for the space L n. An application of linear algebra over lattices for solving linear systems, was given

  5. An Application of Linear Algebra over Lattices

    OpenAIRE

    M. Hosseinyazdi

    2008-01-01

    In this paper, first we consider L n as a semimodule over a complete bounded distributive lattice L. Then we define the basic concepts of module theory for L n. After that, we proved many similar theorems in linear algebra for the space L n. An application of linear algebra over lattices for solving linear systems, was given

  6. 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.)

  7. Chimera states in Gaussian coupled map lattices

    Science.gov (United States)

    Li, Xiao-Wen; Bi, Ran; Sun, Yue-Xiang; Zhang, Shuo; Song, Qian-Qian

    2018-04-01

    We study chimera states in one-dimensional and two-dimensional Gaussian coupled map lattices through simulations and experiments. Similar to the case of global coupling oscillators, individual lattices can be regarded as being controlled by a common mean field. A space-dependent order parameter is derived from a self-consistency condition in order to represent the collective state.

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 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

  13. Selective nanoscale growth of lattice mismatched materials

    Science.gov (United States)

    Lee, Seung-Chang; Brueck, Steven R. J.

    2017-06-20

    Exemplary embodiments provide materials and methods of forming high-quality semiconductor devices using lattice-mismatched materials. In one embodiment, a composite film including one or more substantially-single-particle-thick nanoparticle layers can be deposited over a substrate as a nanoscale selective growth mask for epitaxially growing lattice-mismatched materials over the substrate.

  14. 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....

  15. 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

  16. 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

  17. 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)

  18. 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.

  19. 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

  20. 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.

  1. 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.)

  2. 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

  3. 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.

  4. 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)

  5. 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.)

  6. 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.)

  7. 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.

  8. 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?

  9. 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

  10. [In vitro evaluation of low-temperature aging effects of Y2O3 stabilized tetragonal zirconia polycrystals dental ceramics].

    Science.gov (United States)

    Yi, Yuan-fu; Liu, Hong-chen; Wang, Chen; Tian, Jie-mo; Wen, Ning

    2008-03-01

    To investigate the influence of in vitro low-temperature degradation (LTD) treatment on the structural stability of 5 kinds of Y2O3 stabilized tetragonal zirconia polycrystals (Y-TZP) dental ceramics. TZ-3YS powder was compacted at 200 MPa using cold isostatic pressure and pre-sintered at 1050 degrees C for 2 h forming presintered blocks. Specimens were sectioned into 15 mm x 15 mm x 1.5 mm slices from blocks of TZ-3YS, Vita In-Ceram YZ, Ivoclar, Cercon Smart, and Kavo Y-TZP presintered blocks, 18 slices for each brand, and then densely sintered. Specimens were divided into 6 groups and subjected to an accelerated aging test carried out in an autoclave in steam at 134 degrees C, 0.2 MPa, for 0, 1, 2, 3, 4, and 5 h. X-ray diffraction (XRD) was used to identify crystal phases and relative content of monoclinic phase was calculated. Specimens for three-point bending test were fabricated using TZ-3YS ceramics according to the ISO 6872 standard and bending strength was tested before and after aging. The polished and aging specimens of TZ-3YS and Cercon Smart zirconia ceramics were observed by atomic force microscopy (AFM) to evaluate surface microstructure. Tetragonal-to-monoclinic phase transformation was detected for specimens of TZ-3YS, Vita In-Ceram YZ, Ivoclar, and Kavo zirconia ceramics except for Cercon Smart ceramics after aging, and the relative content of monoclinic phase was increasing with the prolonged aging time. TZ-3YS was the most affected material, Kavo took the second, and Vita and Ivoclar were similar. Aging had no significant negative effects on flexural strength of TZ-3YS with average bending strength being over 1100 MPa. The nucleation and growth of monoclinic phase were detected by AFM in surface of Cercon Smart zirconia in which monoclinic phase was not detected by XRD. The results suggest that LTD of dental Y-TZP is time dependent, but the aging test does not reduce the flexural strength of TZ-3YS. The long-term clinical serviceability of dental

  11. 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.

  12. 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.

  13. 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.

  14. 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)

  15. 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...

  16. 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

  17. 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.

  18. Construction of Capacity Achieving Lattice Gaussian Codes

    KAUST Repository

    Alghamdi, Wael

    2016-04-01

    We propose a new approach to proving results regarding channel coding schemes based on construction-A lattices for the Additive White Gaussian Noise (AWGN) channel that yields new characterizations of the code construction parameters, i.e., the primes and dimensions of the codes, as functions of the block-length. The approach we take introduces an averaging argument that explicitly involves the considered parameters. This averaging argument is applied to a generalized Loeliger ensemble [1] to provide a more practical proof of the existence of AWGN-good lattices, and to characterize suitable parameters for the lattice Gaussian coding scheme proposed by Ling and Belfiore [3].

  19. 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

  20. 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

  1. 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....

  2. 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.)

  3. 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.)

  4. Racetrack lattices for the TRIUMF KAON factory

    International Nuclear Information System (INIS)

    Servranckx, R.V.; Craddock, M.K.

    1989-05-01

    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. In the small rings, γ t is kept high enough by choosing a sufficiently large phase advance in the arcs. 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. The ion-optical properties of the lattices and the results from tracking studies are discussed

  5. 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

  6. 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

  7. 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.

  8. 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...

  9. 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...

  10. 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

  11. Lattice Dynamics of Gallium Phosphide

    International Nuclear Information System (INIS)

    Yarnell, J.L.; Warren, J.L.; Wenzel, R.G.; Dean, P.J.

    1968-01-01

    Dispersion curves for phonons propagating in the [100], [110], and [111] directions in gallium phosphide have been measured using a triple-axis neutron diffraction spectrometer operating in the constant-Q mode. The sample was a pseudo-single crystal which was prepared by gluing together 36 single crystal plates of gallium phosphide 1 to 2.5 cm in diameter and ∼0.07 cm thick. The plates were grown epitaxially on substrates of gallium arsenide or gallium phosphide, and aligned individually by neutron diffraction. Rocking curves for eight reflections symmetrically distributed in the plane of the experiment had full widths at half maximum in the range 0.52° - 0.58° and were approximately Gaussian in shape. Gallium phosphide crystallizes in the zinc blende structure. A group theoretic analysis of the lattice dynamics of this structure and a shell model fit to the measured dispersion curves are presented. Various optical properties of gallium phosphide are discussed in terms of the phonon dispersion curves. In particular, the phonons which assist indirect electronic transitions are identified as those at the zone boundary in the [100] direction (symmetry point X) in agreement with theoretical and experimental indications that the extrema of the conduction and valence bands are at X and Γ (center of the zone), respectively. The LO branches lie above the TO branches throughout the Brillouin zone in contradiction to the predictions of Keyes and Mitra. The shell model fit indicates that the charge on the gallium atom is negative. (author)

  12. Lattice dynamics of alpha uranium

    International Nuclear Information System (INIS)

    Crummett, W.P.

    1978-01-01

    Inelastic neutron scattering measurements of the phonon dispersion curves along the three-principal high-symmetry directions have been performed to investigate the lattice dynamics of α-U. The dispersion curves along the [0 zeta 0] and [00 zeta] directions are not too unusual. However, dips and depressions are observed in the [zeta 00] branches similar to those observed in high-T/sub c/ superconductors. Standard group theoretical techniques have been employed to discern the symmetry properties of the phonon branches and to block diagonalize the dynamical matrix of the various phenomenological models that have been applied to α-U. These phenomenological models include: a four neighbor Born-von Karman general tensor model, a twelve neighbor axially symmetric model, and a shell model. None of these models was able to satisfactorily fit the [zeta 00] data. However, a modified form of the shell model which included axially symmetric interactions to six neighbors was found to reproduce most of the dispersion curves well, including the [zeta 00] branches. A simple pseudopotential model was less successful. To obtain all real frequencies from this model it was necessary to include a Born-von Karman short range contribution. These measurements and calculations have implied that the bonding properties of α-U are particularly dependent upon the details of the electronic system

  13. Anderson localization in bipartite lattices

    International Nuclear Information System (INIS)

    Fabrizio, Michele; Castellani, Claudio

    2000-01-01

    We study the localization properties of a disordered tight-binding Hamiltonian on a generic bipartite lattice close to the band center. By means of a fermionic replica trick method, we derive the effective non-linear σ-model describing the diffusive modes, which we analyse by using the Wilson-Polyakov renormalization group. In addition to the standard parameters which define the non-linear σ-model, namely, the conductance and the external frequency, a new parameter enters, which may be related to the fluctuations of the staggered density of states. We find that, when both the regular hopping and the disorder only couple one sublattice to the other, the quantum corrections to the Kubo conductivity vanish at the band center, thus implying the existence of delocalized states. In two dimensions, the RG equations predict that the conductance flows to a finite value, while both the density of states and the staggered density of states fluctuations diverge. In three dimensions, we find that, sufficiently close to the band center, all states are extended, independently of the disorder strength. We also discuss the role of various symmetry breaking terms, as a regular hopping between same sublattices, or an on-site disorder

  14. Essentially Entropic Lattice Boltzmann Model

    Science.gov (United States)

    Atif, Mohammad; Kolluru, Praveen Kumar; Thantanapally, Chakradhar; Ansumali, Santosh

    2017-12-01

    The entropic lattice Boltzmann model (ELBM), a discrete space-time kinetic theory for hydrodynamics, ensures nonlinear stability via the discrete time version of the second law of thermodynamics (the H theorem). Compliance with the H theorem is numerically enforced in this methodology and involves a search for the maximal discrete path length corresponding to the zero dissipation state by iteratively solving a nonlinear equation. We demonstrate that an exact solution for the path length can be obtained by assuming a natural criterion of negative entropy change, thereby reducing the problem to solving an inequality. This inequality is solved by creating a new framework for construction of Padé approximants via quadrature on appropriate convex function. This exact solution also resolves the issue of indeterminacy in case of nonexistence of the entropic involution step. Since our formulation is devoid of complex mathematical library functions, the computational cost is drastically reduced. To illustrate this, we have simulated a model setup of flow over the NACA-0012 airfoil at a Reynolds number of 2.88 ×106.

  15. Infinitesimal diffeomorfisms on the lattice

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    The energy-momentum tensor and local translation Ward identities constitute the essential toolkit to probe the response of a QFT to an infinitesimal change of geometry. This is relevant in a number of contexts. For instance in order to get the thermodynamical equation of state, one wants to study the response of a Euclidean QFT in a finite box to a change in the size of the box. The lattice formulation of QFTs is a prime tool to study their dynamics beyond perturbation theory. However Poincaré invariance is explicitly broken, and is supposed to be recovered only in the continuum limit. Approximate local Ward identities for translations can be defined, by they require some care for two reasons: 1) the energy-momentum tensor needs to be properly defined through a renormalization procedure; 2) the action of infinitesimal local translations (i.e. infinitesimal diffeomorfisms) is ill-defined on local observables. In this talk I will review the issues related to the renormalization of the energy-momentum tensor ...

  16. Anderson localization in bipartite lattices

    International Nuclear Information System (INIS)

    Fabrizio, M.; Castellani, C.

    2000-04-01

    We study the localization properties of a disordered tight-binding Hamiltonian on a generic bipartite lattice close to the band center. By means of a fermionic replica trick method, we derive the effective non-linear σ-model describing the diffusive modes, which we analyse by using the Wilson-Polyakov renormalization group. In addition to the standard parameters which define the non-linear σ-model, namely the conductance and the external frequency, a new parameter enters, which may be related to the fluctuations of the staggered density of states. We find that, when both the regular hopping and the disorder only couple one sublattice to the other, the quantum corrections to the Kubo conductivity vanish at the band center, thus implying the existence of delocalized states. In two dimensions, the RG equations predict that the conductance flows to a finite value, while both the density of states and the staggered density of states fluctuations diverge. In three dimensions, we find that, sufficiently close to the band center, all states are extended, independently of the disorder strength. We also discuss the role of various symmetry breaking terms, as a regular hopping between same sublattices, or an on-site disorder. (author)

  17. A new lattice for PEP

    International Nuclear Information System (INIS)

    Rees, J.; Wiedemann, H.

    1976-01-01

    A new low-beta configuration has been proposed for PEP which has a reduced β/sub y/* and is capable of delivering design luminosity with lower circulating beam currents that those required in the standard configuration described in the Conceptual Design Report of February, 1976. A feasibility study has been carried out and it is reported in PTM-65, September 8, 1976, by Lee, Morton and Wiedemann. The beam-stay-clear region is specified in PTM-66, September 3, 1976 by H. Wiedemann. The principal advantages of the new lattice are that the lower beam currents lead to lower higher-order-mode power and permit reduction of the total rf power required which in turn reduces both capital cost and operating cost. Its disadvantages stem primarily from the relatively high maximum beta values which occur in the interaction-region quadrupoles. These produce high chromaticities which require a generally stronger sextupole system for their compensation. The advantages outweigh the disadvantages and the new 11-cm-beta configuration has been adopted as the design configuration for energies of 15-GeV and lower. In the remainder of this report we shall discuss the implications of this new configuration for the various systems of PEP. 1 fig., 3 tabs

  18. Lattice Dynamics of fcc Ca

    DEFF Research Database (Denmark)

    Stassis, C.; Zaretsky, J.; Misemer, D. K.;

    1983-01-01

    A large single crystal of FCC Ca was grown and was used to study the lattice dynamics of this divalent metal by coherent inelastic neutron scattering. The phonon dispersion curves were measured, at room temperature, along the [ξ00], [ξξ0], [ξξξ], and [0ξ1] symmetry directions. The dispersion curves...... to the propagation of elastic waves. The frequencies of the T1[ξξ0] branch for ξ between approximately 0.5 and 0.8 are slightly above the velocity-of-sound line determined from the low-frequency measurements. Since a similar effect has been observed in FCC Yb, it is natural to assume that the anomalous dispersion...... bear a striking resemblance to those of FCC Yb, which is also a divalent metal with an electronic band structure similar to that of Ca. In particular, the shear moduli c44 and (c11-c 12)/2 differ by a factor of 3.4, which implies that FCC Ca (like FCC Yb) is very anisotropic with regard...

  19. Neutron diffraction and lattice defects

    International Nuclear Information System (INIS)

    Hamaguchi, Yoshikazu

    1974-01-01

    Study on lattice defects by neutron diffraction technique is described. Wave length of neutron wave is longer than that of X-ray, and absorption cross-section is small. Number of defects observed by ESR is up to several defects, and the number studied with electron microscopes is more than 100. Information obtained by neutron diffraction concerns the number of defects between these two ranges. For practical analysis, several probable models are selected from the data of ESR or electron microscopes, and most probable one is determined by calculation. Then, defect concentration is obtained from scattering cross section. It is possible to measure elastic scattering exclusively by neutron diffraction. Minimum detectable concentration estimated is about 0.5% and 10 20 - 10 21 defects per unit volume. A chopper and a time of flight system are used as a measuring system. Cold neutrons are obtained from the neutron sources inserted into reactors. Examples of measurements by using similar equipments to PTNS-I system of Japan Atomic Energy Research Institute are presented. Interstitial concentration in the graphite irradiated by fast neutrons is shown. Defects in irradiated MgO were also investigated by measuring scattering cross section. Study of defects in Ge was made by measuring total cross section, and model analysis was performed in comparison with various models. (Kato, T.)

  20. Halo Mitigation Using Nonlinear Lattices

    CERN Document Server

    Sonnad, Kiran G

    2005-01-01

    This work shows that halos in beams with space charge effects can be controlled by combining nonlinear focusing and collimation. The study relies on Particle-in-Cell (PIC) simulations for a one dimensional, continuous focusing model. The PIC simulation results show that nonlinear focusing leads to damping of the beam oscillations thereby reducing the mismatch. It is well established that reduced mismatch leads to reduced halo formation. However, the nonlinear damping is accompanied by emittance growth causing the beam to spread in phase space. As a result, inducing nonlinear damping alone cannot help mitigate the halo. To compensate for this expansion in phase space, the beam is collimated in the simulation and further evolution of the beam shows that the halo is not regenerated. The focusing model used in the PIC is analysed using the Lie Transform perturbation theory showing that by averaging over a lattice period, one can reuduce the focusing force to a form that is identical to that used in the PIC simula...

  1. On the nature of phase transitions in the tetragonal tungsten bronze GdK2Nb5O15 ceramics

    International Nuclear Information System (INIS)

    Gagou, Y.; Lukyanchuk, I.; El Marssi, M.; Amira, Y.; Mezzane, D.; Courty, M.; Masquelier, C.; Yuzyuk, Yu. I.

    2014-01-01

    Phase transitions in gadolinium potassium niobate GdK 2 Nb 5 O 15 (GKN) ceramics have been investigated by x-ray diffraction, dielectric susceptibility, differential scanning calorimetry, and Raman scattering. The results of our complementary studies show that GKN exhibits two phase transitions at T c1  = 238 °C and T c2  = 375 °C attributed to the ferroelectric-antiferroelectric-paraelectric (FE-AFE-PE) phase transitions. According to the x-ray diffraction analysis, the FE and PE phases were refined in the polar P4bm and centrosymmetric P4/mbm space groups. For the intermediate phase, the structure is refined in the space group P4nc with doubling of the c unit cell parameter, which is compatible with an AFE phase. This result was confirmed by Raman spectroscopy since new low-frequency lines are activated in the AFE phase due to the Brillouin zone-folding effect, typical for the modulated phases. The presence of the AFE phase between the FE and PE phases and the complex nature of tetragonal tungsten bronze crystal structure can explain the large thermal hysteresis observed at the FE-AFE transition between heating and cooling cycle and the strong depression of the Curie-Weiss temperature T 0 . The semi-phenomenological Ising-like model based on the obtained experimental data is proposed to account for the observed FE-AFE-PE transition sequence

  2. Stabilisation of late transition metal and noble metal films in hexagonal and body centred tetragonal phases by epitaxial growth

    Energy Technology Data Exchange (ETDEWEB)

    Hueger, E.

    2005-08-26

    In this work ultrathin metallic films with a crystal phase different to their natural bulk structure were produced by hetero-epitaxial growth on metallic substrates. A further aim of this work was to understand the initiation, growth and stability of crystal phase modifications of these films. there exist cases where the films turn beyond the pseudomorphic-growth to a crystal phase different from their natural bulk structure. The present work presents and discusses such a case in addition to the general phenomenon of pseudomorphic-growth. In particular it is shown that metals whose natural phase is face centred cubic (fcc) can be grown in body centred tetragonal (bct) or hexagonal close packed (hcp) phases in the form of thin films on (001) surfaces of appropriate substrates. The growth behavior, electron diffraction analysis, appearance conditions, geometric fit considerations, examples and a discussion of the phase stability of non-covered films and superlattices is given reviewing all epitaxial-systems whose diffraction pattern can be explained by the hexagonal or pseudomorphic bct phase. (orig.)

  3. Order parameters for symmetry-breaking structural transitions: The tetragonal-monoclinic transition in ZrO2

    Science.gov (United States)

    Thomas, John C.; Van der Ven, Anton

    2017-10-01

    Group/subgroup structural phase transitions are exploited in a wide variety of technologies, including those that rely on shape-memory behavior and on transformation toughening. Here, we introduce an approach to identify symmetry-adapted strain and shuffle order parameters for any group/subgroup structural transition between a high-symmetry parent phase and its symmetrically equivalent low-symmetry product phases. We show that symmetry-adapted atomic shuffle order parameters can be determined by the diagonalization of an orbital covariance matrix, formed by taking the covariance among the atomic displacement vectors of all symmetrically equivalent product phase variants. We use this approach to analyze the technologically important tetragonal to monoclinic structural phase transformation of ZrO2. We explore the energy landscapes, as calculated with density functional theory, along distinct paths that connect m ZrO2 to t ZrO2 and to other m ZrO2 variants. The calculations indicate favorable pairs of variants and reveal intermediate structures likely to exist at coherent twin boundaries and having relatively low deformation energy. We identify crystallographic features of the monoclinic ZrO2 variant that make it very sensitive to shape changing strains.

  4. Tetragonal Ce-based Ce-Sm(Fe, Co, Ti){sub 12} alloys for permanent magnets

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Cid, Andres; Salazar, Daniel [BCMaterials, Bizkaia Science and Tecnology Park, 48160 Derio (Spain); Gabay, Aleksandr M.; Hadjipanayis, George C. [Department of Physics and Astronomy, University of Delaware, Newark, DE, 19716 (United States); Barandiaran, Jose Manuel [BCMaterials, Bizkaia Science and Tecnology Park, 48160 Derio (Spain); Department of Electricity and Electronics, University Basque Country (UPV/EHU), 48080 Bilbao (Spain)

    2016-12-15

    Abundance and relatively low cost of Ce provide a great incentive for its use in rare-earth permanent magnets. It has been recently reported that the tetragonal Ce(Fe,Co,Ti)12 compounds may exhibit application-worthy intrinsic magnetic properties. In this work the effect of the α-Fe phase formation due to the evaporation of Sm during alloy fabrication has been studied, as a previous step in the attempt to convert the intrinsic magnetic properties into functional properties of a permanent magnet. Ce{sub 0.5}Sm{sub 0.5}Fe{sub 9}Co{sub 2}Ti alloys based on the ThMn12-type crystal structure have been synthesized via melt-spinning with different Sm content. Coercive fields between 2.8 and 1.4 kOe have been found for α-Fe phase contents between 8 and 46% in volume, showing the influence of the α-Fe phase on the coercivity and exchange coupling between the hard and soft phase. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Biaxial stress driven tetragonal symmetry breaking and high-temperature ferromagnetic semiconductor from half-metallic CrO2

    Science.gov (United States)

    Xiao, Xiang-Bo; Liu, Bang-Gui

    2018-03-01

    It is highly desirable to combine the full spin polarization of carriers with modern semiconductor technology for spintronic applications. For this purpose, one needs good crystalline ferromagnetic (or ferrimagnetic) semiconductors with high Curie temperatures. Rutile CrO2 is a half-metallic spintronic material with Curie temperature 394 K and can have nearly full spin polarization at room temperature. Here, we find through first-principles investigation that when a biaxial compressive stress is applied on rutile CrO2, the density of states at the Fermi level decreases with the in-plane compressive strain, there is a structural phase transition to an orthorhombic phase at the strain of -5.6 % , and then appears an electronic phase transition to a semiconductor phase at -6.1 % . Further analysis shows that this structural transition, accompanying the tetragonal symmetry breaking, is induced by the stress-driven distortion and rotation of the oxygen octahedron of Cr, and the half-metal-semiconductor transition originates from the enhancement of the crystal field splitting due to the structural change. Importantly, our systematic total-energy comparison indicates the ferromagnetic Curie temperature remains almost independent of the strain, near 400 K. This biaxial stress can be realized by applying biaxial pressure or growing the CrO2 epitaxially on appropriate substrates. These results should be useful for realizing full (100%) spin polarization of controllable carriers as one uses in modern semiconductor technology.

  6. Magnetic properties of the tetragonal RCuGa{sub 3} (R=Pr, Nd and Gd) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Nagalakshmi, R., E-mail: nagaphys@yahoo.com [Department of Physics, National Institute of Technology, Tiruchirappalli 6200015 (India); Kulkarni, Ruta; Dhar, S.K.; Thamizhavel, A. [DCMPMS, Tata Institute of Fundamental Research, Mumbai 400005 (India); Krishnakumar, V. [Department of Physics, Periyar University, Salem 636011 (India); Reiffers, Marian; Čurlík, Ivan [Institute of Experimental Physics, Watsonova 47, SK-040 01 Kosice (Slovakia); Department of Physics, University of Presov, 17 Novembra 1, SK-080 01 (Slovakia); Hagemann, Hans; Lovy, Dominique [Department of Physical Chemistry, University of Geneva, Geneva (Switzerland); Nallamuthu, S. [Department of Physics, National Institute of Technology, Tiruchirappalli 6200015 (India)

    2015-07-15

    Single crystals of tetragonal RCuGa{sub 3} (R=La, Pr, Nd and Gd), with BaNiSn{sub 3} type structure (space group I4 mm), have been grown by high temperature solution growth technique using Ga as flux. Their magnetic properties were determined by heat capacity and the measurement of magnetization and electrical resistivity along [100] and [001] directions. Except LaCuGa{sub 3}, the compounds order magnetically. PrCuGa{sub 3} undergoes a ferromagnetic transition with Curie temperature of 4.6 K. NdCuGa{sub 3} shows a bulk magnetic transition at 3.3 K. The data on GdCuGa{sub 3} indicate combined characteristics of spin glass and antiferromagnetic behavior at low temperatures. From the Schottky heat capacity data the crystal electric field level energy spectra have been determined. Further we have performed temperature dependent measurements of electron spin resonance (ESR) on GdCuGa{sub 3} between 11 K and room temperature. The ESR data indicate an enhancement of magnetic fluctuations associated with spin reorientation and both homogeneous and inhomogeneous thermal broadening of the linewidth. - Highlights: • RCuGa{sub 3} (R=La, Pr, Nd and Gd) single crystals were grown by flux technique. • The compounds exhibit long range magnetic ordering. • Crystal electric field levels have been derived from Schottky heat capacity. • Electron spin resonance (ESR) studies of GdCuGa{sub 3} are also discussed.

  7. Cryoprotection properties of salts of organic acids: a case study for a tetragonal crystal of HEW lysozyme.

    Science.gov (United States)

    Bujacz, Grzegorz; Wrzesniewska, Blanka; Bujacz, Anna

    2010-07-01

    Currently, the great majority of the data that are used for solving macromolecular structures by X-ray crystallography are collected at cryogenic temperatures. Selection of a suitable cryoprotectant, which ensures crystal stability at low temperatures, is critical for the success of a particular diffraction experiment. The effectiveness of salts of organic acids as potential cryoprotective agents is presented in the following work. Sodium formate, acetate, malonate and citrate were tested, as were sodium potassium tartrate and acetate in the form of potassium and ammonium salts. For each salt investigated, the minimal concentration that was required for successful cryoprotection was determined over the pH range 4.5-9.5. The cryoprotective ability of these organic salts depends upon the number of carboxylic groups; the lowest concentration required for cryoprotection was observed at neutral pH. Case-study experiments conducted using the tetragonal form of hen egg-white lysozyme (HEWL) confirmed that salts of organic acids can successfully act as cryoprotective agents of protein crystals grown from high concentrations of inorganic salts. When crystals are grown from solutions containing a sufficient concentration of organic acid salts no additional cryoprotection is needed as the crystals can safely be frozen directly from the crystallizing buffers.

  8. 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.

  9. Strange Baryon Physics in Full Lattice QCD

    International Nuclear Information System (INIS)

    Huey-Wen Lin

    2007-01-01

    Strange baryon spectra and form factors are key probes to study excited nuclear matter. The use of lattice QCD allows us to test the strength of the Standard Model by calculating strange baryon quantities from first principles

  10. 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...

  11. Optical properties of graphene antidot lattices

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Flindt, Christian; Pedersen, Jesper Goor

    2008-01-01

    Undoped graphene is semimetallic and thus not suitable for many electronic and optoelectronic applications requiring gapped semiconductor materials. However, a periodic array of holes (antidot lattice) renders graphene semiconducting with a controllable band gap. Using atomistic modeling, we demo...

  12. 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...

  13. 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)

  14. Breatherlike impurity modes in discrete nonlinear lattices

    DEFF Research Database (Denmark)

    Hennig, D.; Rasmussen, Kim; Tsironis, G. P.

    1995-01-01

    We investigate the properties of a disordered generalized discrete nonlinear Schrodinger equation, containing both diagonal and nondiagonal nonlinear terms. The equation models a Linear host lattice doped with nonlinear impurities. We find different types of impurity states that form itinerant...

  15. Exact vacuum energy of orbifold lattice theories

    International Nuclear Information System (INIS)

    Matsuura, So

    2007-01-01

    We investigate the orbifold lattice theories constructed from supersymmetric Yang-Mills matrix theories (mother theories) with four and eight supercharges. We show that the vacuum energy of these theories does not receive any quantum correction perturbatively

  16. Tinkering at the main-ring lattice

    Energy Technology Data Exchange (ETDEWEB)

    Ohnuma, S.

    1982-08-23

    To improve production of usable antiprotons using the proton beam from the main ring and the lossless injection of cooled antiprotons into the main ring, modifications of the main ring lattice are recommended.

  17. 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)

  18. 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

  19. Benchmarking computer platforms for lattice QCD applications

    International Nuclear Information System (INIS)

    Hasenbusch, M.; Jansen, K.; Pleiter, D.; Wegner, P.; Wettig, T.

    2003-09-01

    We define a benchmark suite for lattice QCD and report on benchmark results from several computer platforms. The platforms considered are apeNEXT, CRAY T3E, Hitachi SR8000, IBM p690, PC-Clusters, and QCDOC. (orig.)

  20. Benchmarking computer platforms for lattice QCD applications

    International Nuclear Information System (INIS)

    Hasenbusch, M.; Jansen, K.; Pleiter, D.; Stueben, H.; Wegner, P.; Wettig, T.; Wittig, H.

    2004-01-01

    We define a benchmark suite for lattice QCD and report on benchmark results from several computer platforms. The platforms considered are apeNEXT, CRAY T3E; Hitachi SR8000, IBM p690, PC-Clusters, and QCDOC

  1. 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.

  2. 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

  3. 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

  4. Quantum chromodynamics on the lattice

    International Nuclear Information System (INIS)

    Kovacs, T.G.; Pittler, F.

    2012-01-01

    Complete text of publication follows. Quantum chromodynamics (QCD) is the generally accepted theory of the strong interactions that bind quarks into hadrons like the proton and the neutron. The only systematic way of computing low-energy observables starting from the theory is to discretize it on a space-time lattice and perform large-scale Monte Carlo numerical simulations. In the past years lattice QCD did not only provide more and more precise numerical data to be compared to experimental data but also contributed to a better intuitive understanding of the phenomena occurring in strongly interacting systems. One of the most interesting of these phenomena is the transition of ordinary strongly interacting matter to the so called quark-gluon plasma phase occurring at high temperature and already observed in heavy ion collisions. Quarks that are all confined into hadrons at low temperature become liberated above the critical temperature characterizing the transition. At the same time the chiral symmetry that is spontaneously broken at low temperatures also gets restored. Chiral symmetry is intimately connected to the density of low-lying quark states. At low temperature these states are known to follow Wigner-Dyson random matrix statistics. This has been successfully exploited to compute the parameters of the effective chiral Lagrangian describing strongly interacting systems in the low energy limit. In contrast, up to a few years ago there was no generally accepted understanding of the statistical properties of lowlying quark states above the critical temperature. We showed that in simplified models of QCD the low quark eigenmodes obey Poisson statistics that gradually crosses over to Wigner-Dyson statistics higher up in the spectrum. This also implies that the low modes are highly localized which can have significant physical consequences. In this year, for the first time we could verify Poisson statistics for the low quark modes in full dynamical QCD without any

  5. 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.

  6. 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)

  7. 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.

  8. 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.

  9. 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.

  10. Lattice Boltzmann approach for complex nonequilibrium flows.

    Science.gov (United States)

    Montessori, A; Prestininzi, P; La Rocca, M; Succi, S

    2015-10-01

    We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.

  11. Lattice quantum chromodynamics with approximately chiral fermions

    Energy Technology Data Exchange (ETDEWEB)

    Hierl, Dieter

    2008-05-15

    In this work we present Lattice QCD results obtained by approximately chiral fermions. We use the CI fermions in the quenched approximation to investigate the excited baryon spectrum and to search for the {theta}{sup +} pentaquark on the lattice. Furthermore we developed an algorithm for dynamical simulations using the FP action. Using FP fermions we calculate some LECs of chiral perturbation theory applying the epsilon expansion. (orig.)

  12. The world according to lattice QCD

    International Nuclear Information System (INIS)

    Sharpe, S.R.

    1988-12-01

    A non-technical introduction to lattice calculations is given. The successes and problems of current calculations are emphasized. A summary of lattice results on non-exotic meson and baryon masses indicates that while calculations in the quenched approximation are becoming reliable, the results differ in systematic ways from the physical values. Results for exotic mesons (glueballs and hybrids) are then presented. The future prospects are discussed. 23 refs., 4 figs

  13. Lattice and Phase Diagram in QCD

    International Nuclear Information System (INIS)

    Lombardo, Maria Paola

    2008-01-01

    Model calculations have produced a number of very interesting expectations for the QCD Phase Diagram, and the task of a lattice calculations is to put these studies on a quantitative grounds. I will give an overview of the current status of the lattice analysis of the QCD phase diagram, from the quantitative results of mature calculations at zero and small baryochemical potential, to the exploratory studies of the colder, denser phase.

  14. Lattice models and conformal field theories

    International Nuclear Information System (INIS)

    Saleur, H.

    1988-01-01

    Theoretical studies concerning the connection between critical physical systems and the conformal theories are reviewed. The conformal theory associated to a critical (integrable) lattice model is derived. The obtention of the central charge, critical exponents and torus partition function, using renormalization group arguments, is shown. The quantum group structure, in the integrable lattice models, and the theory of Visaro algebra representations are discussed. The relations between off-critical integrable models and conformal theories, in finite geometries, are studied

  15. Soliton solutions in a diatomic lattice system

    International Nuclear Information System (INIS)

    Yajima, Nobuo; Satsuma, Junkichi.

    1979-04-01

    A continuum limit is considered for a diatomic lattice system with a cubic nonlinearity. A long wave equation describing the interaction of acoustic and optical modes is obtained. It reduces, in certain approximations, to equations having coupled wave solutions. The solutions exhibit trapping of an optical mode by an acoustic soliton. The form of the trapped optical wave depends on the mass ratio of adjacent particles in the diatomic lattice. (author)

  16. Matching fields and lattice points of simplices

    OpenAIRE

    Loho, Georg; Smith, Ben

    2018-01-01

    We show that the Chow covectors of a linkage matching field define a bijection of lattice points and we demonstrate how one can recover the linkage matching field from this bijection. This resolves two open questions from Sturmfels & Zelevinsky (1993) on linkage matching fields. For this, we give an explicit construction that associates a bipartite incidence graph of an ordered partition of a common set to all lattice points in a dilated simplex. Given a triangulation of a product of two simp...

  17. Status of the Fermilab lattice supercomputer project

    International Nuclear Information System (INIS)

    Mackenzie, P.; Eichten, E.; Hockney, G.

    1988-10-01

    Fermilab has completed construction of a sixteen node (320 megaflop peak speed) parallel computer for lattice gauge theory calculations. The architecture was designed to provide the highest possible cost effectiveness while maintaining a high level of programmability and constraining as little as possible the types of lattice problems which can be done on it. The machine is programmed in C. It is a prototype for a 256 node (5 gigaflop peak speed) computer which will be assembled this winter. 6 refs

  18. Lattice results for heavy light matrix elements

    International Nuclear Information System (INIS)

    Soni, A.

    1994-09-01

    Lattice results for heavy light matrix elements are reviewed and some of their implications are very briefly discussed. Despite the fact that in most cases the lattice results for weak matrix elements at the moment have only a modest accuracy of about 20--30% they already have important phenomenological repercussions; e.g. for V td /V ts , x s /x d and B → K*γ

  19. Finite size scaling and lattice gauge theory

    International Nuclear Information System (INIS)

    Berg, B.A.

    1986-01-01

    Finite size (Fisher) scaling is investigated for four dimensional SU(2) and SU(3) lattice gauge theories without quarks. It allows to disentangle violations of (asymptotic) scaling and finite volume corrections. Mass spectrum, string tension, deconfinement temperature and lattice β-function are considered. For appropriate volumes, Monte Carlo investigations seem to be able to control the finite volume continuum limit. Contact is made with Luescher's small volume expansion and possibly also with the asymptotic large volume behavior. 41 refs., 19 figs

  20. Lattice quantum chromodynamics with approximately chiral fermions

    International Nuclear Information System (INIS)

    Hierl, Dieter

    2008-05-01

    In this work we present Lattice QCD results obtained by approximately chiral fermions. We use the CI fermions in the quenched approximation to investigate the excited baryon spectrum and to search for the Θ + pentaquark on the lattice. Furthermore we developed an algorithm for dynamical simulations using the FP action. Using FP fermions we calculate some LECs of chiral perturbation theory applying the epsilon expansion. (orig.)

  1. Chiral Schwinger model and lattice fermionic regularizations

    International Nuclear Information System (INIS)

    Kieu, T.D.; Sen, D.; Xue, S.

    1988-01-01

    The chiral Schwinger model is studied on the lattice with use of Wilson fermions. The arbitrary mass term for the gauge boson is shown to originate from the arbitrariness of the Wilson parameter, which is required to avoid the doubling phenomenon on the lattice. The necessity for such a term is thus demonstrated in contrast to the mere admissibility as indicated by previous continuum calculations

  2. A lattice hierarchy and its continuous limits

    International Nuclear Information System (INIS)

    Fan Engui

    2008-01-01

    By introducing a discrete spectral problem, we derive a lattice hierarchy which is integrable in Liouville's sense and possesses a multi-Hamiltonian structure. It is show that the discrete spectral problem converges to the well-known AKNS spectral problem under a certain continuous limit. In particular, we construct a sequence of equations in the lattice hierarchy which approximates the AKNS hierarchy as a continuous limit

  3. Improved lattice fermion action for heavy quarks

    International Nuclear Information System (INIS)

    Cho, Yong-Gwi; Hashimoto, Shoji; Jüttner, Andreas; Kaneko, Takashi; Marinkovic, Marina; Noaki, Jun-Ichi; Tsang, Justus Tobias

    2015-01-01

    We develop an improved lattice action for heavy quarks based on Brillouin-type fermions, that have excellent energy-momentum dispersion relation. The leading discretization errors of O(a) and O(a"2) are eliminated at tree-level. We carry out a scaling study of this improved Brillouin fermion action on quenched lattices by calculating the charmonium energy-momentum dispersion relation and hyperfine splitting. We present a comparison to standard Wilson fermions and domain-wall fermions.

  4. Lattice Paths and the Constant Term

    International Nuclear Information System (INIS)

    Brak, R; Essam, J; Osborn, J; Owczarek, A L; Rechnitzer, A

    2006-01-01

    We firstly review the constant term method (CTM), illustrating its combinatorial connections and show how it can be used to solve a certain class of lattice path problems. We show the connection between the CTM, the transfer matrix method (eigenvectors and eigenvalues), partial difference equations, the Bethe Ansatz and orthogonal polynomials. Secondly, we solve a lattice path problem first posed in 1971. The model stated in 1971 was only solved for a special case - we solve the full model

  5. 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

  6. 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

  7. 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).

  8. Structural and physical properties of the tetragonal superconductors lanthanum barium alkaline earth copper oxides LaBaACu3O7-d (A = calcium and strontium)

    NARCIS (Netherlands)

    Fu, W.T.; Zandbergen, H.W.; Beek, van der C.J.; Verheijen, A.A.; Jongh, de L.J.; Brabers, V.A.M.

    1989-01-01

    The compounds LaBaACu3O7-d (A = Ca and Sr) have been prepared and characterized by X-ray diffraction and electron microscopy. Their structure is similar to that of YBa2Cu3O7, except that they are tetragonal. Electron diffraction of LaCaBaCu3O7-d reveals the presence of a weak superstructure having

  9. 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...

  10. 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

  11. 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)

  12. 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.

  13. 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 ...

  14. 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.)

  15. 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)

  16. 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.

  17. 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 ...

  18. 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

  19. 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

  20. Structural, Electronic, and Thermodynamic Properties of Tetragonal t-SixGe3−xN4

    Directory of Open Access Journals (Sweden)

    Chenxi Han

    2018-03-01

    Full Text Available The structural, mechanical, anisotropic, electronic, and thermal properties of t-Si3N4, t-Si2GeN4, t-SiGe2N4, and t-Ge3N4 in the tetragonal phase are systematically investigated in the present work. The mechanical stability is proved by the elastic constants of t-Si3N4, t-Si2GeN4, t-SiGe2N4, and t-Ge3N4. Moreover, they all demonstrate brittleness, because B/G < 1.75, and v < 0.26. The elastic anisotropy of t-Si3N4, t-Si2GeN4, t-SiGe2N4, and t-Ge3N4 is characterized by Poisson’s ratio, Young’s modulus, the percentage of elastic anisotropy for bulk modulus AB, the percentage of elastic anisotropy for shear modulus AG, and the universal anisotropic index AU. The electronic structures of t-Si3N4, t-Si2GeN4, t-SiGe2N4, and t-Ge3N4 are all wide band gap semiconductor materials, with band gaps of 4.26 eV, 3.94 eV, 3.83 eV, and 3.25 eV, respectively, when using the Heyd-Scuseria-Ernzerhof (HSE06 hybrid functional. Moreover, t-Ge3N4 is a quasi-direct gap semiconductor material. The thermodynamic properties of t-Si3N4, t-Si2GeN4, t-SiGe2N4, and t-Ge3N4 are investigated utilizing the quasi-harmonic Debye model. The effects of temperature and pressure on the thermal expansion coefficient, heat capacity, Debye temperature, and Grüneisen parameters are discussed in detail.