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Sample records for linearized muffin-tin orbital

  1. A full-potential linear-muffin-tin-orbital molecular-dynamics study of B{sub 7}, B{sub 10} and B{sub 13} clusters

    Cao Peilin Cao; Zhao Wei; Li Baoxing; Song Bin; Zhou Xuyan [Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang (China)

    2001-06-04

    The structures of B{sub 7}, B{sub 10} and B{sub 13} boron clusters are studied using the full-potential linear-muffin-tin-orbital molecular-dynamics method. Seven stable structures for B{sub 7} and fifteen for B{sub 10} have been obtained. C{sub 2h}-B{sub 10} is the most stable among the 15 structures, but C{sub 2v}-B{sub 10} is not stable. For B{sub 13}, three degenerate ground-state structures have been found. The potential surface near C{sub 2v}-B{sub 7} (ground state) and D{sub 6h}-B{sub 7} is very flat. As a fundamental unit in constructing bigger clusters, C{sub 2v}-B{sub 7} will change its form easily. The most stable structures for B{sub 7}, B{sub 10} and B{sub 13} clusters are two-dimensional (quasi-) planar clusters, rather than the three-dimensional ones. General speaking, these clusters obey the 'Aufbau principle'. (author)

  2. Chaos in a coulombic muffin-tin potential

    Brandis, S.

    1994-04-01

    We study the two-dimensional classical scattering dynamics by a Muffin-Tin potential with 3 Coulomb singularities. A complete symbolic dynamics for the periodic orbits is derivd. The classical trajectories are shown to be hyperbolic everywhere in phase space and to carry no conjugate points. (orig.)

  3. Classical and quantum chaotic scattering in a muffin tin potential

    Brandis, S.

    1995-05-01

    In this paper, we study the classical mechanics, the quantum mechanics and the semi-classical approximation of the 2-dimensional scattering from a muffin tin potential. The classical dynamical system for Coulombic muffin tins is proven to be chaotic by explicit construction of the exponentially increasing number of periodic orbits. These are all shown to be completely unstable (hyperbolic). By methods of the thermodynamic formalism we can determine the Hausdorff dimension, escape rate and Kolmogorov-Sinai-entropy of the system. An extended KKR-method is developed to determine the quantum mechanical S-matrix. We compare a few integrable scattering examples with the results of the muffin tin scattering. Characteristic features of the spectrum of eigenphases turn out to be the level repulsion and long range rigidity as compared to a completely random spectrum. In the semiclassical analysis we can rederive the regularized Gutzwiller trace formula directly from the exact KKR-determinant to prove that no further terms contribute in the case of the muffin tin potential. The periodic orbit sum allows to draw some qualitative conclusions about the effects of classical chaos on the quantum mechanics. In the context of scaling systems the theory of almost periodic functions is discussed as a possible mathematical foundation for the semiclassical periodic orbit sums. Some results that can be obtained from this analysis are developed in the context of autocorrelation functions and distribution functions for chaotic scattering systems. (orig.)

  4. Fermi sea term in the relativistic linear muffin-tin-orbital transport theory for random alloys

    Turek, Ilja; Kudrnovský, Josef; Drchal, Václav

    2014-01-01

    Roč. 89, č. 6 (2014), 064405 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP204/11/1228 Institutional support: RVO:68081723 ; RVO:68378271 Keywords : electron transport * anomalous Hall effect * random alloys Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  5. Generalized KKR-theory for non-muffin-tin potentials

    Molenaar, J.

    1989-01-01

    The author shows that the secular equation in KKR (Korringa, Kohn and Rostoker) theory retains its separable structure also in the case of non-muffin-tin potentials. This generalisation has been extensively discussed recently. During this discussion, in which the possible necessity of so-called near

  6. Variationally-optimized muffin-tin potentials for band calculations

    Pant, M.M.

    1979-09-01

    A method is suggested to determine the best local periodic crystal potential V(r) by minimizing the Hartree-Fock expectation value of the energy. The explicit form of the integral equation for the local exchange potential is obtained for the special case of the Muffin-tin aproximation. (author)

  7. Self-consistent approximation for muffin-tin models of random substitutional alloys with environmental disorder

    Kaplan, T.; Gray, L.J.

    1984-01-01

    The self-consistent approximation of Kaplan, Leath, Gray, and Diehl is applied to models for substitutional random alloys with muffin-tin potentials. The particular advantage of this approximation is that, in addition to including cluster scattering, the muffin-tin potentials in the alloy can depend on the occupation of the surrounding sites (i.e., environmental disorder is included)

  8. FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem

    Levin, Alan R.; Zhang, Deyin; Polizzi, Eric

    2012-11-01

    In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the “black-box” solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

  9. RF measurements of a traveling-wave muffin-tin accelerating structure at 90 GHz

    Chou, P.J.; Bowden, G.B.; Copeland, M.R.; Menegat, A.; Pritzkau, D.P.; Siemann, R.H.

    1997-05-01

    A measuring system at the table-top scale was developed for RF measurements of a muffin-tin accelerating structure operating at 32 times the SLAC frequency (2.856 GHz). Both perturbation and non-perturbation methods are employed to characterize the RF properties of a muffin-tin structure. Conventional bead pull measurements are extended to millimeter wavelengths. Design of the measuring system and preliminary results of RF measurements are presented

  10. F-centers in alkaline-earth fluorides. Inadequacy of the muffin-tin approximation

    Oliveira, L.E.; Oliveira, P.M.; Maffeo, B.

    1977-01-01

    The SCF-MSXα (Self Consisting F-centers-Multiple Scattering Xα) method has been applied in the study of the electronic structure of F centers in CaF 2 , SrF 2 and BaF 2 . The predicted optical transition energies are in disagreement with the experimental data. An explanation for the discrepancy is provided showing the inadequacy of the spherical averaging of the potential within the muffin-tin approximation [pt

  11. Design and fabrication of a traveling-wave muffin-tin accelerating structure at 90 GHz

    Chou, P.J.; Bowden, G.B.; Copeland, M.R.; Menegat, A.; Siemann, R.H.

    1997-05-01

    A prototype of a muffin-tin accelerating structure operating at 32 times the SLAC frequency (2.856 GHz) was built for research in high gradient acceleration. A traveling-wave design with single input and output feeds was chosen for the prototype which was fabricated by wire electrodischarge machining. Features of the mechanical design for the prototype are described. Design improvements are presented including considerations of cooling and vacuum

  12. Position space Green's function and its application to a non-muffin tin band theory

    Brown, R.G.

    1982-01-01

    A new way of applying the non-spherically symmetric phase functional method of Williams and Van Morgan to the band structure problem is derived that results in a generalized (non-muffin tin) multiple scattering band theory that is variationally stationary and exact in the single-electron, local potential Schroedinger theory. The phase functional basis derived arises from considering integral equation solutions to differential equations of the Schroedinger or inhomogeneous Helmholtz type. It is shown to be conditionally complete on any spherical domain. It is applied to the ordinary scattering problem and the general multiple scattering problem, where it is shown that any multiple scattering theory that is muffin tin approximated can probably have the approximation removed. The so-called near field correction that is believed to destroy the separability of KKR-like band theories or multiple scattering problems where the bounding spheres of nearest neighbor domains overlap is shown to be generally absorbed in a convergent fashion into the usual sum over structure constants in the theory. The extension of this theory to a full self-consistent-field calculation is briefly discussed, but the actual derivations are deferred until various numerical tests in progress are completed

  13. Optimized surface-slab excited-state muffin-tin potential and surface core level shifts

    Rundgren, J.

    2003-01-01

    An optimized muffin-tin (MT) potential for surface slabs with preassigned surface core-level shifts (SCLS's) is presented. By using the MT radii as adjustable parameters the model is able to conserve the definition of the SCLS with respect to the bulk and concurrently to generate a potential that is continuous at the MT radii. The model is conceived for elastic electron scattering in a surface slab with exchange-correlation interaction described by the local density approximation. The model employs two data bases for the self-energy of the signal electron (after Hedin and Lundqvist or Sernelius). The potential model is discussed in detail with two surface structures Be(101-bar0), for which SCLS's are available, and Cu(111)p(2x2)Cs, in which the close-packed radii of the atoms are extremely different. It is considered plausible that tensor LEED based on an optimized MT potential can be used for determining SCLS's

  14. Rigid muffin-tin approximation for the electron-phonon interaction in transition metals

    Butler, W.H.

    1980-01-01

    Progress in calculating the electron-phonon parameters of transition metals has been based on either the rigid muffin-tin approximation (RMTA) or the fitted modified tight-binding approximation (FMTBA). The RMTA has been shown to be remarkably accurate for average electron-phonon properties, but there are indications that RMTA matrix elements may be too small at low momentum transfer. An attempt is made to demonstrate these assertions concerning the accuracy of RMTA and the numerous electron-phonon calculations are placed in a broader perspective by a demonstration of how they can be used to explain the trends in the strength of the electron-phonon coupling among the transition metals and the A-15 compounds

  15. Rigid muffin-tin approximation for the electron-phonon interaction in transition metals

    Butler, W.H.

    1980-01-01

    Progress in calculating the electron-phonon parameters of transition metals has been based on either the rigid muffin-tin approximation (RMTA) or the fitted modified tight-binding approximation (FMTBA). The RMTA has been shown to be remarkably accurate for average electron-phonon properties, but there are indications that RMTA matrix elements may be too small at low momentum transfer. An attempt is made to demonstrate these assertions concerning the accuracy of RMTA and the numerous electron-phonon calculations are placed in a broader perspective by a demonstration of how they can be used to explain the trends in the strength of the electron-phonon coupling among the transition metals and the A-15 compounds. (GHT)

  16. Evidence of the correlation between a strong 4d-As/2p-N orbitals coupling and the bowing effect in GaAsN

    Mehnane, N.; Badi, F.; Abid, H.; Reda Aced, M.; Sekkal, N.

    2008-05-01

    By means of a simple physical argumentation, we give the proof that the giant bowing observed in GaAsN is correlated to a strong interaction between 4d-As and 2p-N orbitals. The calculations were carried out within the first principles full potential linear muffin-tin orbitals method (FPLMTO) method in its plane wave approximation (PLW) which enables an accurate treatment of the interstitial regions. The choice of this method ensures our work to be free from adjustable parameters and enables us to perform a microscopic study. (author)

  17. Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

    Wang, C.S.; Freeman, A.J.

    1979-01-01

    We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations

  18. Linear Magnetoelectric Effect by Orbital Magnetism

    Scaramucci, A.; Bousquet, E.; Fechner, M.; Mostovoy, M.; Spaldin, N. A.

    2012-01-01

    We use symmetry analysis and first-principles calculations to show that the linear magnetoelectric effect can originate from the response of orbital magnetic moments to the polar distortions induced by an applied electric field. Using LiFePO4 as a model compound we show that spin-orbit coupling

  19. Quantum Well States in Fe/Nb(001) Multilayers: First Principles Study

    Sliukia, Nitya N; Sen, A; Prasad, R

    2007-01-01

    A first principle study to understand the phenomena of interlayer exchange coupling in Fe/Nb multilayers using the linearized-muffin-tin-orbitals method within the generalized gradient approximation was performed...

  20. Orbit dynamics for unstable linear motion

    Parzen, G.

    1997-01-01

    A treatment is given of the orbit dynamics for linear unstable motion that allows for the zeros in the beta function and makes no assumptions about the realness of the betatron and phase functions. The phase shift per turn is shown to be related to the beta function and the number of zeros the beta function goes through per turn. The solutions of the equations of motion are found in terms of the beta function

  1. Orbit dynamics for unstable linear motion

    Parzen, G.

    1996-04-01

    A treatment is given of the orbit dynamics for linear unstable motion that allows for the zeros in the beta function and makes no assumption about the realness of the betatron and phase functions. The phase shift per turn is shown to be related to the beta function and the number of zeros the beta function goes through per turn. The solutions of the equations of motion are found in terms of the beta function

  2. Effect of spin-orbit interactions on the structural stability, thermodynamic properties, and transport properties of lead under pressure

    Smirnov, N. A.

    2018-03-01

    The paper investigates the role of spin-orbit interaction in the prediction of structural stability, lattice dynamics, elasticity, thermodynamic and transport properties (electrical resistivity and thermal conductivity) of lead under pressure with the FP-LMTO (full-potential linear-muffin-tin orbital) method for the first-principles band structure calculations. Our calculations were carried out for three polymorphous lead modifications (fcc, hcp, and bcc) in generalized gradient approximation with the exchange-correlation functional PBEsol. They suggest that compared to the scalar-relativistic calculation, the account for the SO effects insignificantly influences the compressibility of Pb. At the same time, in the calculation of phonon spectra and transport properties, the role of SO interaction is important, at least, for P ≲150 GPa. At higher pressures, the contribution from SO interaction reduces but not vanishes. As for the relative structural stability, our studies show that SO effects influence weakly the pressure of the fcc →hcp transition and much higher the pressure of the hcp →bcc transition.

  3. Polarized atomic orbitals for linear scaling methods

    Berghold, Gerd; Parrinello, Michele; Hutter, Jürg

    2002-02-01

    We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.

  4. Linear and mass attenuation coefficient for CdTe compound of X-rays from 10 to 100 keV energy range in different phases

    Saim, A., E-mail: saim1989asma@gmail.com; Tebboune, A.; Berkok, H.; Belameiri, N.; Belbachir, A.H.

    2014-07-25

    The Full Potential Linear Muffin Tin Orbitals method within the density functional theory has been utilized to calculate structural and electronic properties of the CdTe compound. We have checked that the CdTe has two phase-transitions from zinc-blend to cinnabar and from cinnabar to rocksalt. We have found that the rigidity, the energy and the nature of the gap change according to the phase change, so we can predict that a CdTe detector may have different behaviors in different phase conditions. In order to investigate this behavior change, the linear and the mass attenuation coefficients of X-ray in rocksalt, zinc-blend and cinnabar structures are calculated from 10 keV to100 keV, using the XCOM data. We have found that when CdTe undergoes a phase transition from zinc-blend to cinnabar, its linear attenuation coefficient decreases down to a value of about 100 times smaller than its initial one, and when it undergoes a transition from cinnabar to rocksalt it increases up to a value about 90 times larger than its initial one.

  5. Orbit Representations from Linear mod 1 Transformations

    Carlos Correia Ramos

    2012-05-01

    Full Text Available We show that every point $x_0in [0,1]$ carries a representationof a $C^*$-algebra that encodes the orbit structure of thelinear mod 1 interval map $f_{eta,alpha}(x=eta x +alpha$. Such $C^*$-algebra is generated by partial isometries arising from the subintervals of monotonicity of the underlying map $f_{eta,alpha}$. Then we prove that such representation is irreducible. Moreover two such of representations are unitarily equivalent if and only if the points belong to the same generalized orbit, for every $alphain [0,1[$ and $etageq 1$.

  6. Linear orbit parameters for the exact equations of motion

    Parzen, G.

    1995-01-01

    This paper defines the beta function and other linear orbit parameters using the exact equations of motion. The β, α and ψ functions are redefined using the exact equations. Expressions are found for the transfer matrix and the emittance. The differential equations for η = x/β 1/2 is found. New relationships between α, β, ψ and ν are derived

  7. Crystal structure from one-electron theory

    Skriver, H. L.

    1985-01-01

    The authors have studied the crystal structure of all the 3d, 4d, and 5d transition metals at zero pressure and temperature by means of the linear muffin-tin orbital method and Andersen's force theorem. They find that, although the structural energy differences seem to be overestimated by the the......The authors have studied the crystal structure of all the 3d, 4d, and 5d transition metals at zero pressure and temperature by means of the linear muffin-tin orbital method and Andersen's force theorem. They find that, although the structural energy differences seem to be overestimated...

  8. Linear and nonlinear stability of periodic orbits in annular billiards

    Dettmann, Carl P.; Fain, Vitaly

    2017-04-01

    An annular billiard is a dynamical system in which a particle moves freely in a disk except for elastic collisions with the boundary and also a circular scatterer in the interior of the disk. We investigate the stability properties of some periodic orbits in annular billiards in which the scatterer is touching or close to the boundary. We analytically show that there exist linearly stable periodic orbits of an arbitrary period for scatterers with decreasing radii that are located near the boundary of the disk. As the position of the scatterer moves away from a symmetry line of a periodic orbit, the stability of periodic orbits changes from elliptic to hyperbolic, corresponding to a saddle-center bifurcation. When the scatterer is tangent to the boundary, the periodic orbit is parabolic. We prove that slightly changing the reflection angle of the orbit in the tangential situation leads to the existence of Kolmogorov-Arnold-Moser islands. Thus, we show that there exists a decreasing to zero sequence of open intervals of scatterer radii, along which the billiard table is not ergodic.

  9. Finite orbit energetic particle linear response to toroidal Alfven eigenmodes

    Berk, H.L.; Ye, Huanchun; Breizman, B.N.

    1991-07-01

    The linear response of energetic particles to the TAE modes is calculated taking into account their finite orbit excursion from the flux surfaces. The general expression reproduces the previously derived theory for small banana width: when the banana width triangle b is much larger than the mode thickness triangle m , we obtain a new compact expression for the linear power transfer. When triangle m /triangle b much-lt 1, the banana orbit effect reduces the power transfer by a factor of triangle m /triangle b from that predicted by the narrow orbit theory. A comparison is made of the contribution to the TAE growth rate of energetic particles with a slowing-down distribution arising from an isotropic source, and a balance-injected beam source when the source speed is close to the Alfven speed. For the same stored energy density, the contribution from the principal resonances (|υ parallel | = υ A is substantially enhanced in the beam case compared to the isotropic case, while the contribution at the higher sidebands (|υ parallel |) = υ A /(2 ell - 1) with ell ≥ 2) is substantially reduced. 10 refs

  10. Finite orbit energetic particle linear response to toroidal Alfven eigenmodes

    Berk, H.L.; Ye Huanchun; Breizman, B.N.

    1992-01-01

    The linear response of energetic particles of the TAE modes is calculated taking into account their finite orbit excursion from the flux surfaces. The general expression reproduces the previously derived theory for small banana width; when the banana width Δ b is much larger than the mode thickness Δ m , we obtain a new compact expression for the linear power transfer. When Δ m /Δ b m /Δ b from that predicted by the narrow orbit theory. A comparison is made of the contribution to the TAE growth rate of energetic particles with a slowing-down distribution arising from an isotropic source, and a balanced-injected beam source when the source speed is close to the Alfven speed. For the same stored energy density, the contribution from the principal resonances (vertical strokev parallel vertical stroke=v A ) is substantially enhanced in the beam case compared to the isotropic case, while the contribution at the higher sidebands (vertical strokev parallel vertical stroke=v A /(2l-1) with l≥2) is substantially reduced. (orig.)

  11. The s-d Transition in Compressed Lanthanum

    McMahan, A.K.; Skriver, Hans Lomholt; Johansson, B.

    1981-01-01

    Calculations of the pressure-volume isotherms for FCC La have been carried out up to pressures of 2 Mbars and temperatures up to 3.4 eV, using the self-consistent linear-muffin-tin-orbital method. The isothermal bulk modulus shows an anomalous stiffening over the pressure range 320-560 kbars, due...

  12. Electronic structure and optical properties of thorium monopnictides

    We have calculated the electronic density of states (DOS) and dielectric function for the ThX (X = P, As and Sb) using the linear muffin tin orbital method within atomic sphere approximation (LMTO–ASA) including the combined correction terms. The calculated electronic DOS of ThSb has been compared with the available ...

  13. Electronic Structure of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta)

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1996-01-01

    The core levels of TIBa(sub 2)CaCu(sub 2)O(sub 7-delta) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin tin orbital band structure method and measured with XPS.

  14. The Electronic Structure of Calcium

    Jan, J.-P.; Skriver, Hans Lomholt

    1981-01-01

    The electronic structure of calcium under pressure is re-examined by means of self-consistent energy band calculations based on the local density approximation and using the linear muffin-tin orbitals (LMTO) method with corrections to the atomic sphere approximation included. At zero pressure...

  15. Positron annihilation and pressure-induced electronic s-d transition

    McMahan, A.K.; Skriver, H.L.

    1985-06-01

    The polycrystalline, partial annihilation rates for positrons in compressed cesium have been calculated using the linear muffin-tin orbitals method. These results suggest that the pressure-induced electronic s-d transition in Cs should be directly observable by momentum sensitive positron annihilation experiments

  16. Ab initio surface core-level shifts and surface segregation energies

    Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

    1993-01-01

    We have calculated the surface core-level energy shifts of the 4d and 5d transition metals by means of local-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method. Final-state effects are included by treating the core-ionized atom as an impurity located in...

  17. Ab initio work function of elemental metals

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    We have used a recently developed self-consistent Green’s-function technique based on tight-binding linear-muffin-tin-orbital theory to calculate the work function for the close-packed surfaces of 37 elemental metals. The results agree with the limited experimental data obtained from single cryst...

  18. Deep layer-resolved core-level shifts in the beryllium surface

    Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

    1993-01-01

    Core-level energy shifts for the beryllium surface region are calculated by means of a Green’s function technique within the tight-binding linear muffin-tin orbitals method. Both initial- and final-state effects in the core-ionization process are fully accounted for. Anomalously large energy shifts...

  19. The Electronic Band Structure of Platinum Oxide (PtO) | Omehe ...

    We have performed the electronic band structure of the bulk and monolayer of PtO using the full potential linear muffin-tin orbital and the projector augmented wave method with the density functional theory. We applied the LDA and LDA+U scheme to both methods. It was found out that the LDA calculation of bulk PtO ...

  20. Electronic structure, cohesive, and magnetic properties of the actinide-iridium Laves phases

    Eriksson, O.; Johansson, B.; Brooks, M. S. S.

    1989-01-01

    The electronic structure of the isostructural AIr2 systems (A=Th, Pa, U, Np, Pu, and Am) has been obtained by means of the scalar relativistic and fully relativistic linear muffin-tin orbital techniques. Ground-state properties such as lattice constants and onset of magnetic order have been calcu...

  1. Electronic and optical properties of lead iodide

    Ahuja, R.; Arwin, H.; Ferreira da Silva, A.

    2002-01-01

    The electronic properties and the optical absorption of lead iodide (PbI2) have been investigated experimentally by means of optical absorption and spectroscopic ellipsometry, and theoretically by a full-potential linear muffin-tin-orbital method. PbI2 has been recognized as a very promising...

  2. Prediction of Fermi-Surface Pressure Dependence in Rb and Cs

    Jan, J. P.; MacDonald, A. H.; Skriver, Hans Lomholt

    1980-01-01

    The linear muffin-tin orbitals method of band-structure calculation, combined with a Gaussian integration technique using special directions in the Brillouin zone, has been used to calculate Fermi radii and extremal cross-sectional areas of the Fermi surface in rubidium and cesium. Band shifts we......-surface pressure dependence agree with the limited experimental data available....

  3. Separated-orbit bisected energy-recovered linear accelerator

    Douglas, David R.

    2015-09-01

    A separated-orbit bisected energy-recovered linear accelerator apparatus and method. The accelerator includes a first linac, a second linac, and a plurality of arcs of differing path lengths, including a plurality of up arcs, a plurality of downgoing arcs, and a full energy arc providing a path independent of the up arcs and downgoing arcs. The up arcs have a path length that is substantially a multiple of the RF wavelength and the full energy arc includes a path length that is substantially an odd half-integer multiple of the RF wavelength. Operation of the accelerator includes accelerating the beam utilizing the linacs and up arcs until the beam is at full energy, at full energy executing a full recirculation to the second linac using a path length that is substantially an odd half-integer of the RF wavelength, and then decelerating the beam using the linacs and downgoing arcs.

  4. Natural excitation orbitals from linear response theories : Time-dependent density functional theory, time-dependent Hartree-Fock, and time-dependent natural orbital functional theory

    Van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2017-01-01

    Straightforward interpretation of excitations is possible if they can be described as simple single orbital-to-orbital (or double, etc.) transitions. In linear response time-dependent density functional theory (LR-TDDFT), the (ground state) Kohn-Sham orbitals prove to be such an orbital basis. In

  5. ARPES and NMTO Wannier Orbital Theory of Li{sub 0.9}Mo{sub 6}O{sub 17}

    Dudy, L. [Physikalisches Institut, Universitaet Wuerzburg, D- 97074 Wuerzburg (Germany); Allen, J.W. [University of Michigan, Ann Arbor, MI (United States); Denlinger, J.D. [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); He, J. [Clemson University, Clemson, SC (United States); Greenblatt, M. [Rutgers University, Piscataway, NJ (United States); Haverkort, M.W. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Andersen, O.K.; Nohara, Y. [Max-Planck-Institut fuer Festkoerperphysik, Stuttgart (Germany)

    2015-07-01

    Li{sub 0.9}Mo{sub 6}O{sub 17} displays theoretically interesting metallic quasi-one dimensional (1D) behavior that is unusually robust against 3D crossover with decreasing temperature, and is characterized by a large value of anomalous exponent α∼ 0.6. We present very high resolution, low temperature (T=6K-30K) angle resolved photoemission spectroscopy (ARPES) of its band structure and Fermi surface (FS), analyzed with N-th order muffin tin orbital (NMTO) Wannier function band theory. We confirm a previous conclusion that LDA band theory is unusually successful, implying a small Hubbard U, and find in ARPES the dispersion and FS warping and splitting expected for predicted small and long range hoppings (t {sub perpendicular} {sub to} ∼ 10-15 meV) between chains.

  6. Periodic orbits from Δ-modulation of stable linear systems

    Xia, X.; Zinober, A.

    2004-01-01

    The �-modulated control of a single input, discrete time, linear stable system is investigated. The modulation direction is given by cTx where c �Rn/{0} is a given, otherwise arbitrary, vector. We obtain necessary and sufficient conditions for the existence of periodic points of a finite order. Some concrete results about the existence of a certain order of periodic points are also derived. We also study the relationship between certain polyhedra and the periodicity of the �-modulated orb...

  7. Linear Optics From Closed Orbits (LOCO): An Introduction

    Safranek, James

    2009-01-01

    The LOCO code is used to find and correct errors in the linear optics of storage rings. The original FORTRAN code was written to correct the optics of the NSLS X-Ray ring, and was applied soon thereafter to debug problems with the ALS optics. The ideas used in the code were developed from previous work at SLAC. Several years ago, LOCO was rewritten in MATLAB. As described in this newsletter, the MATLAB version includes a user-friendly interface, with many useful fitting and analysis options. LOCO has been used at many accelerators. Presently, a search for LOCO in the text of papers on the Joint Accelerator Conferences Website yields 107 papers. A comprehensive survey of applications will not be included here. Details of recent results at a few light sources are included in this newsletter. In the past, the quality of LOCO fitting results varied significantly, depending on the storage ring. In particular, the results were mixed for colliding beam facilities, where there tend to be fewer BPMs that in light sources. Fitting rings with less BPM data to constrain the fit optics parameters often led to unreasonably large fit quadrupole gradient variations. Recently, modifications have been made to the LOCO fitting algorithm which leads to much better results when the BPM data does not tightly constrain the fit parameters. The modifications are described in this newsletter, and an example of results with this new algorithm is included.

  8. Noise destroys the coexistence of periodic orbits of a piecewise linear map

    Wang Can-Jun; Yang Ke-Li; Qu Shi-Xian

    2013-01-01

    The effects of Gaussian white noise and Gaussian colored noise on the periodic orbits of period-5 (P-5) and period-6 (P-6) in their coexisting domain of a piecewise linear map are investigated numerically. The probability densities of some orbits are calculated. When the noise intensity is D = 0.0001, only the orbits of P-5 exist, and the coexisting phenomenon is destroyed. On the other hand, the self-correlation time τ of the colored noise also affects the coexisting phenomenon. When τ c c , only the orbits of P-5 appear, and the stability of the orbits of P-5 is enhanced. However, when τ > τ' c (τ c and τ c ' are critical values), only the orbits of P-6 exist, and the stability of the P-6 orbits is enhanced greatly. When τ c , the orbits of P-5 and P-6 coexist, but the stability of the P-5 orbits is enhanced and that of P-6 is weakened with τ increasing

  9. Localization of periodic orbits of polynomial vector fields of even degree by linear functions

    Starkov, Konstantin E. [CITEDI-IPN, Av. del Parque 1310, Mesa de Otay, Tijuana, BC (Mexico)] e-mail: konst@citedi.mx

    2005-08-01

    This paper is concerned with the localization problem of periodic orbits of polynomial vector fields of even degree by using linear functions. Conditions of the localization of all periodic orbits in sets of a simple structure are obtained. Our results are based on the solution of the conditional extremum problem and the application of homogeneous polynomial forms of even degrees. As examples, the Lanford system, the jerky system with one quadratic monomial and a quartically perturbed harmonic oscillator are considered.

  10. Localization of periodic orbits of polynomial vector fields of even degree by linear functions

    Starkov, Konstantin E.

    2005-01-01

    This paper is concerned with the localization problem of periodic orbits of polynomial vector fields of even degree by using linear functions. Conditions of the localization of all periodic orbits in sets of a simple structure are obtained. Our results are based on the solution of the conditional extremum problem and the application of homogeneous polynomial forms of even degrees. As examples, the Lanford system, the jerky system with one quadratic monomial and a quartically perturbed harmonic oscillator are considered

  11. A canonical eight-dimensional formalism for linear and non-linear classical spin-orbit motion in storage rings

    Barber, D.P.; Heinemann, K.; Ripken, G.

    1991-05-01

    In the following report we begin to reformulate work by Derbenev on the behaviour of coupled quantized spin-orbit motion. To this end we present a classical symplectic treatment of linear and non-linear spin-orbit motion for storage rings using a fully coupled eight-dimensional formalism which generalizes earlier investigations of coupled synchro-betatron oscillations by introducing two additional canonical spin variables which behave, in a small-angle limit, like those already used in linearised spin theory. Thus in addition to the usual x-z-s couplings, both the spin to orbit and orbit to spin coupling are described canonically. Since the spin Hamiltonian can be expanded in a Taylor series in canonical variables, the formalism is convenient for use in 8-dimensional symplectic tracking calculations with the help, for example, of Lie algebra or differential algebra for the study of chaotic spin motion, for construction of spin normal forms and for the study of the effect of Stern-Gerlach forces. (orig.)

  12. Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu

    Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt

    1997-01-01

    We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical and exper......We have used a full charge-density technique based on the linear muffin-tin orbitals method in first-principles calculations of the atomic volumes of the light actinides including Fr, Ra, and Ac in their low-temperature crystallographic phases. The good agreement between the theoretical...... and experimental values along the series support the picture of itinerant 5f electronic states in Th to Pu. The increased deviation between theory and experiment found in Np and Pu may be an indication of correlation effects not included in the local density approximation....

  13. Accumulation of unstable periodic orbits and the stickiness in the two-dimensional piecewise linear map.

    Akaishi, A; Shudo, A

    2009-12-01

    We investigate the stickiness of the two-dimensional piecewise linear map with a family of marginal unstable periodic orbits (FMUPOs), and show that a series of unstable periodic orbits accumulating to FMUPOs plays a significant role to give rise to the power law correlation of trajectories. We can explicitly specify the sticky zone in which unstable periodic orbits whose stability increases algebraically exist, and find that there exists a hierarchy in accumulating periodic orbits. In particular, the periodic orbits with linearly increasing stability play the role of fundamental cycles as in the hyperbolic systems, which allows us to apply the method of cycle expansion. We also study the recurrence time distribution, especially discussing the position and size of the recurrence region. Following the definition adopted in one-dimensional maps, we show that the recurrence time distribution has an exponential part in the short time regime and an asymptotic power law part. The analysis on the crossover time T(c)(*) between these two regimes implies T(c)(*) approximately -log[micro(R)] where micro(R) denotes the area of the recurrence region.

  14. A systematic first principle method to study magnetic properties of FeMo, CoMo and NiMo

    Bhattacharjee, Ashis Kumar; Touheed, Md.; Ahmed, Mesbahuddin; Halder, A.; Mookerjee, A.

    2003-06-01

    We use the first principle TB-LMTO (Tight-Binding Linear Muffin Tin Orbital) method combined with the ASM (Augmented Space Method) to take care of disorder beyond the mean field (CPA - Cohetent Potential Approximation) approximation. We analyze binary alloys between magnetic transition metals Fe, Co, Ni and non-magnetic Mo to find out the effect of disorder on electronic structure and consequently magnetic properties of the alloys. (author)

  15. Calculated surface-energy anomaly in the 3d metals

    Aldén, M.; Skriver, Hans Lomholt; Mirbt, S.

    1992-01-01

    Local-spin-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method have been used to calculate the surface energy of the 3d metals. The theory explains the variation of the values derived from measurements of the surface tension of liquid metals including...... the pronounced anomaly occurring between vanadium and nickel in terms of a decrease in the d contribution caused by spin polarization....

  16. A computational study of pressure-induced structural transition in ThSb

    Trinadh, Ch.U.M.; Rajagopalan, M.; Natarajan, S.

    1997-01-01

    The pressure induced phase transition from NaCl-type to CsCl-type structure in ThSb was studied using total energy calculations by tight-binding linear muffin tin orbital (TBLMTO) method within atomic sphere approximation (ASA). The density of states (DOS) at ambient pressure was compared with resonant photoemission studies (PES). The variation in interatomic distances during the transition was found to be in agreement with high pressure x-ray diffraction (HPXRD) studies. (author)

  17. Electronic structure of hcp transition metals

    Jepsen, O.; Andersen, O. Krogh; Mackintosh, A. R.

    1975-01-01

    Using the linear muffin-tin-orbital method described in the previous paper, we have calculated the electronic structures of the hcp transition metals, Zr, Hf, Ru, and Os. We show how the band structures of these metals may be synthesized from the sp and d bands, and illustrate the effects...... of hybridization, relativistic band shifts, and spin-orbit coupling by the example of Os. By making use of parameters derived from the muffin-tin potential, we discuss trends in the positions and widths of the energy bands, especially the d bands, as a function of the location in the periodic table. The densities...... of states of the four metals are presented, and the calculated heat capacities compared with experiment. The Fermi surfaces of both Ru and Os are found to be in excellent quantitative agreement with de Haas-van Alphen measurements, indicating that the calculated d-band position is misplaced by less than 10...

  18. Tangent Orbital Rendezvous Using Linear Relative Motion with J2 Perturbations

    Gang Zhang

    2013-01-01

    Full Text Available The tangent-impulse coplanar orbit rendezvous problem is studied based on the linear relative motion for J2-perturbed elliptic orbits. There are three cases: (1 only the first impulse is tangent; (2 only the second impulse is tangent; (3 both impulses are tangent. For a given initial impulse point, the first two problems can be transformed into finding all roots of a single variable function about the transfer time, which can be done by the secant method. The bitangent rendezvous problem requires the same solution for the first two problems. By considering the initial coasting time, the bitangent rendezvous solution is obtained with a difference function. A numerical example for two coplanar elliptic orbits with J2 perturbations is given to verify the efficiency of these proposed techniques.

  19. Multiple-scattering theory with a truncated basis set

    Zhang, X.; Butler, W.H.

    1992-01-01

    Multiple-scattering theory (MST) is an extremely efficient technique for calculating the electronic structure of an assembly of atoms. The wave function in MST is expanded in terms of spherical waves centered on each atom and indexed by their orbital and azimuthal quantum numbers, l and m. The secular equation which determines the characteristic energies can be truncated at a value of the orbital angular momentum l max , for which the higher angular momentum phase shifts, δ l (l>l max ), are sufficiently small. Generally, the wave-function coefficients which are calculated from the secular equation are also truncated at l max . Here we point out that this truncation of the wave function is not necessary and is in fact inconsistent with the truncation of the secular equation. A consistent procedure is described in which the states with higher orbital angular momenta are retained but with their phase shifts set to zero. We show that this treatment gives smooth, continuous, and correctly normalized wave functions and that the total charge density calculated from the corresponding Green function agrees with the Lloyd formula result. We also show that this augmented wave function can be written as a linear combination of Andersen's muffin-tin orbitals in the case of muffin-tin potentials, and can be used to generalize the muffin-tin orbital idea to full-cell potentals

  20. Non-linear vibrational modes in biomolecules: A periodic orbits description

    Kampanarakis, Alexandros; Farantos, Stavros C.; Daskalakis, Vangelis; Varotsis, Constantinos

    2012-01-01

    Graphical abstract: Vibrational frequency shifts in Fe IV = O species of the active site of cytochrome c oxidase are attributed to changes in the surrounding Coulomb field. Periodic orbits analysis assists to find the most anharmonic modes in model biomolecules. Highlights: ► Periodic orbits are extended to multidimensional potentials of biomolecules. ► Highly anharmonic vibrational modes and center-saddle bifurcations are detected. ► Vibrational frequencies shifts in Oxoferryl species of CcO are observed. - Abstract: The vibrational harmonic normal modes of a molecule, which are valid at energies close to an equilibrium point (a minimum, maximum or saddle of the potential energy surface), are extended by periodic orbits to high energies where anharmonicity and coupling of the degrees of freedom are significant. In this way the assignment of the spectra, and thus the extraction of dynamics in highly excited molecules, can be obtained. New vibrational modes emanating from bifurcations of periodic orbits and long living localized trajectories signal the birth and localization of new quantum states. In this article we review and further study non-linear vibrational modes for model biomolecules such as alanine dipeptide and the active site in the oxoferryl oxidation state of the enzyme cytochrome c oxidase. We locate periodic orbits which exhibit high anhamonicity and lead to center-saddle bifurcations. These modes are associated to an isomerization process in alanine dipeptide and to frequency shifts in the oxoferryl observed by modifying the Coulomb field around the Imidazole–Fe IV = O species.

  1. Ground motion optimized orbit feedback design for the future linear collider

    Pfingstner, J., E-mail: juergen.pfingstner@cern.ch [CERN, Geneva 23, CH-1211 (Switzerland); Vienna University of Technology, Karlsplatz 13, 1040 Wien (Austria); Snuverink, J. [CERN, Geneva 23, CH-1211 (Switzerland); John Adams Institute at Royal Holloway, University of London, Surrey (United Kingdom); Schulte, D. [CERN, Geneva 23, CH-1211 (Switzerland)

    2013-03-01

    The future linear collider has strong stability requirements on the position of the beam along the accelerator and at the interaction point (IP). The beam position will be sensitive to dynamic imperfections in particular ground motion. A number of mitigation techniques have been proposed to be deployed in parallel: active and passive quadrupole stabilization and positioning as well as orbit and IP feedback. This paper presents a novel design of the orbit controller in the main linac and beam delivery system. One global feedback controller is proposed based on an SVD-controller (Singular Value Decomposition) that decouples the large multi-input multi-output system into many independent single-input single-output systems. A semi-automatic procedure is proposed for the controller design of the independent systems by exploiting numerical models of ground motion and measurement noise to minimize a target parameter, e.g. luminosity loss. The novel design for the orbit controller is studied for the case of the Compact Linear Collider (CLIC) in integrated simulations, which include all proposed mitigation methods. The impact of the ground motion on the luminosity performance is examined in detail. It is shown that with the proposed orbit controller the tight luminosity budget for ground motion effects is fulfilled and accordingly, an essential feasibility issue of CLIC has been addressed. The orbit controller design is robust and allows for a relaxed BPM resolution, while still maintaining a strong ground motion suppression performance compared to traditional methods. We believe that the described method could easily be applied to other accelerators and light sources.

  2. Orbits

    Xu, Guochang

    2008-01-01

    This is the first book of the satellite era which describes orbit theory with analytical solutions of the second order with respect to all possible disturbances. Based on such theory, the algorithms of orbits determination are completely revolutionized.

  3. Orbital

    Yourshaw, Matthew Stephen

    2017-01-01

    Orbital is a virtual reality gaming experience designed to explore the use of traditional narrative structure to enhance immersion in virtual reality. The story structure of Orbital was developed based on the developmental steps of 'The Hero's Journey,' a narrative pattern identified by Joseph Campbell. Using this standard narrative pattern, Orbital is capable of immersing the player quickly and completely for the entirety of play time. MFA

  4. α-K2AgF4: Ferromagnetism induced by the weak superexchange of different eg orbitals from the nearest neighbor Ag ions

    Zhang, Xiaoli; Zhang, Guoren; Jia, Ting; Zeng, Zhi; Lin, H. Q.

    2016-05-01

    We study the abnormal ferromagnetism in α-K2AgF4, which is very similar to high-TC parent material La2CuO4 in structure. We find out that the electron correlation is very important in determining the insulating property of α-K2AgF4. The Ag(II) 4d9 in the octahedron crystal field has the t2 g 6 eg 3 electron occupation with eg x2-y2 orbital fully occupied and 3z2-r2 orbital partially occupied. The two eg orbitals are very extended indicating both of them are active in superexchange. Using the Hubbard model combined with Nth-order muffin-tin orbital (NMTO) downfolding technique, it is concluded that the exchange interaction between eg 3z2-r2 and x2-y2 from the first nearest neighbor Ag ions leads to the anomalous ferromagnetism in α-K2AgF4.

  5. α-K2AgF4: Ferromagnetism induced by the weak superexchange of different eg orbitals from the nearest neighbor Ag ions

    Xiaoli Zhang

    2016-05-01

    Full Text Available We study the abnormal ferromagnetism in α-K2AgF4, which is very similar to high-TC parent material La2CuO4 in structure. We find out that the electron correlation is very important in determining the insulating property of α-K2AgF4. The Ag(II 4d9 in the octahedron crystal field has the t 2 g 6 e g 3 electron occupation with eg x2-y2 orbital fully occupied and 3z2-r2 orbital partially occupied. The two eg orbitals are very extended indicating both of them are active in superexchange. Using the Hubbard model combined with Nth-order muffin-tin orbital (NMTO downfolding technique, it is concluded that the exchange interaction between eg 3z2-r2 and x2-y2 from the first nearest neighbor Ag ions leads to the anomalous ferromagnetism in α-K2AgF4.

  6. Dynamics of High-Order Spin-Orbit Couplings about Linear Momenta in Compact Binary Systems*

    Huang Li; Wu Xin; Huang Guo-Qing; Mei Li-Jie

    2017-01-01

    This paper relates to the post-Newtonian Hamiltonian dynamics of spinning compact binaries, consisting of the Newtonian Kepler problem and the leading, next-to-leading and next-to-next-to-leading order spin-orbit couplings as linear functions of spins and momenta. When this Hamiltonian form is transformed to a Lagrangian form, besides the terms corresponding to the same order terms in the Hamiltonian, several additional terms, third post-Newtonian (3PN), 4PN, 5PN, 6PN and 7PN order spin-spin coupling terms, yield in the Lagrangian. That means that the Hamiltonian is nonequivalent to the Lagrangian at the same PN order but is exactly equivalent to the full Lagrangian without any truncations. The full Lagrangian without the spin-spin couplings truncated is integrable and regular. Whereas it is non-integrable and becomes possibly chaotic when any one of the spin-spin terms is dropped. These results are also supported numerically. (paper)

  7. Band Structure and Fermi Surface of Cu2Sb by the LMTO Method

    Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    The linear muffin-tin orbital (LMTO) method of bandstructure calculation has been applied to the simple tetragonal compound Cu2Sb. The d bands of Cu lie substantially below the Fermi level, and the Fermi surface is a recognizable distortion of the free-electron model. The Fermi surface has sheets......-orbit splitting, and of another closed sheet. Earlier de Haas-van Alphen results are explained semiquantitatively by the model, which also accounts for open orbits seen in high-field magnetoresistance experiments....

  8. Approximative analytic eigenvalues for orbital excitations in the case of a coulomb potential plus linear and quadratic radial terms

    Rekab, S.; Zenine, N.

    2006-01-01

    We consider the three dimensional non relativistic eigenvalue problem in the case of a Coulomb potential plus linear and quadratic radial terms. In the framework of the Rayleigh-Schrodinger Perturbation Theory, using a specific choice of the unperturbed Hamiltonian, we obtain approximate analytic expressions for the eigenvalues of orbital excitations. The implications and the range of validity of the obtained analytic expression are discussed

  9. Scaling of the L2,3 circular magnetic x-ray dichroism of Fe nitrides

    Alouani, M.; Wills, J.M.; Wilkins, J.W.

    1998-01-01

    We have implemented the calculation of the x-ray-absorption cross section for left- and right-circularly polarized x-ray beams within the local-density approximation by means of our all-electron full-relativistic and spin-polarized full-potential linear muffin-tin orbital method. We show that the L 2,3 circular magnetic x-ray dichroism of Fe, Fe 3 N, and Fe 4 N compounds scales to a single curve when divided by the local magnetic moment. Sum rules determine the spin and orbital magnetic moment of iron atoms in these ordered iron nitrides. copyright 1998 The American Physical Society

  10. Air-Cored Linear Induction Motor for Earth-to-Orbit Systems

    Zabar, Zivan; Levi, Enrico; Birenbaum, Leo

    1996-01-01

    The need for lowering the cost of Earth-to-Orbit (ETO) launches has prompted consideration of electromagnetic launchers. A preliminary design based on the experience gained in an advanced type of coilgun and on innovative ideas shows that such a launcher is technically feasible with almost off-the-shelf components.

  11. Linear and nonlinear waves with orbital angular momentum in magnetized plasma

    Ali, Shahid; Kant Shukla, Padma; Tito Mendonca, José.

    2009-11-01

    Here we discuss the concept of orbital angular momentum (OAM) for electromagnetic waves in a magnetized plasma. Nonlinear effects of photons with spin and OAM will be considered. In particular, we examine the case of parametric interactions between circularly polarized electromagnetic waves and Langmuir and ion acoustic waves, including the ponderomotive force of light with OAM in magnetized plasma (Shukla & Stenflo, PRA). This will be a generalization of recent results published in PRL by J.T. Mendonca and B. Thide. We also examine the influence of OAM on the magnetic field generation by the inverse Faraday effect.

  12. Structural and electronic properties of thallium compounds

    Paliwal, Neetu; Srivastava, Vipul

    2016-01-01

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a_0), bulk modulus (B_0), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  13. Structural and electronic properties of thallium compounds

    Paliwal, Neetu, E-mail: neetumanish@gmail.com [Department of Physics, AISECT University Bhopal, 464993 (India); Srivastava, Vipul [Department of Engineering Physics, NRI Institute of Research & Technology, Raisen Road, Bhopal, 462021 (India)

    2016-05-06

    The tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA has been used to calculate structural and electronic properties of thallium pnictides TlX (X=Sb, Bi) at high pressure. As a function of volume, the total energy is evaluated. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed metallic behaviour in TlSb and TlBi compounds. The values of equilibrium lattice constants and bulk modulus are agreed well with the available data.

  14. Ab initio pair potentials for FCC metals: An application of the method of Moebius transform

    Mookerjee, A.; Chen Nanxian; Kumar, V.; Satter, M.A.

    1991-10-01

    We use the method of Moebius transform introduced by one of us (Chen, Phys. Rev. Lett. 64, 1193 (1990)) to obtain pair potentials for fcc metals from first principles total energy calculations. The derivation is exact for radial potentials and it converges much faster than the earlier reported method of Carlsson-Gelatt-Ehrenreich. We have tested this formulation for Cu using the tight binding representation of the linear muffin tin orbital method. Our results agree with those obtained by Carlsson et al. and qualitatively with the other Morse-type pair potentials derived from effective medium theories. (author). 18 refs, 3 figs, 3 tabs

  15. Electronic structure of ordered and disordered Fe sub 3 Pt

    Major, Z; Jarlborg, T; Bruno, E; Ginatempo, B; Staunton, J B; Poulter, J

    2003-01-01

    The electronic structure of invar alloys (i.e. materials in which the near absence of thermal expansion is observed) has been the focus of much study, owing both to the technological applications of these materials and interest in the fundamental mechanism that is responsible for the effect. Here, calculations of the magnetic Compton profiles are presented for ordered and disordered Fe sub 3 Pt alloys. Using linear muffin-tin orbital and KKR methods, the latter incorporating the coherent potential approximation to describe the substitutional disorder, the electronic band structure and measurable quantities such as the Fermi surface topology are presented.

  16. Self-consistent electronic structure and segregation profiles of the Cu-Ni (001) random-alloy surface

    Ruban, Andrei; Abrikosov, I. A.; Kats, D. Ya.

    1994-01-01

    We have calculated the electronic structure and segregation profiles of the (001) surface of random Cu-Ni alloys with varying bulk concentrations by means of the coherent potential approximation and the linear muffin-tin-orbitals method. Exchange and correlation were included within the local......-density approximation. Temperature effects were accounted for by means of the cluster-variation method and, for comparison, by mean-field theory. The necessary interaction parameters were calculated by the Connolly-Williams method generalized to the case of a surface of a random alloy. We find the segregation profiles...

  17. Surface segregation energies in transition-metal alloys

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1999-01-01

    We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...... to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple...

  18. Electronic and geometric structures of Ge{sub n}{sup -} and Ge{sub n}{sup +} (n=5-10) clusters in comparison with corresponding Si{sub n} ions

    Li Baoxing; Cao Peilin; Song Bin; Ye Zhezhen

    2003-02-10

    Using full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have studied the geometric and electronic structures of ionic Ge{sub 5-10} clusters. Our calculations show that the ground state structures of some Ge cluster ions are different from those of their corresponding neutral Ge clusters. Furthermore, the positive Ge ions have more severe structural distortion than the negative Ge ions due to Jahn-Teller distortion. In addition, there are differences between the ground state structures of Ge ions and Si ions, although most of the Ge ions have similar geometrical configurations to their corresponding Si ions.

  19. Stable structures for Al{sub 20} clusters

    Yao Changhong [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)]. E-mail: phych@zju.edu.cn; Song Bin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Cao Peilin [Department of Physics and State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2005-06-20

    The low-lying energy structures of Al{sub 20} cluster are obtained by full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method. A set of new low-lying energy structures including a new lowest energy structure, were found in our calculation. The waist-capped double icosahedral structure, which was considered as the global minimum previously, is merely one of the low-lying structures. Comparison and discussion between Al{sub 20} and Si{sub 20} have been made.

  20. The structures of P{sub 8} and P{sub 9} clusters

    Song Bin; Cao Peilin; Zhao Wei; Li Baoxing [Zhejiang Univ., Hangzhou, ZJ (China). Dept. of Physics

    2001-08-01

    Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of P{sub 8} and P{sub 9} clusters. We get fourteen stable structures for P{sub 8} and fifteen stable structures for P{sub 9}. The results confirm that ''cuneane'' structure is the most stable isomer of P{sub 8} clusters. However, the distortion of a D{sub 3h} prism, which has not been reported so far, is the most stable among the fifteen P{sub 9} isomers. (orig.)

  1. Multiplet effects in the electronic structure of intermediate-valence compounds

    Thunström, P.; Di Marco, I.; Grechnev, A.

    2009-01-01

    We present an implementation of the Hubbard-I approximation based on the exact solution of the atomic many-body problem incorporated in a full-potential linear muffin-tin orbital method of density-functional theory. Comparison between calculated and measured x-ray photoemission spectra reveal a g...... a good agreement for intermediate valence systems in open crystal structures such as YbInCu4, SmB6, and YbB12. Spectral features of the unoccupied states of SmB6 are predicted....

  2. Calculated Bulk Properties of the Actinide Metals

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...

  3. Electronic structure of the actinide-Rh3 systems and the 5f localization in UPd3

    Eriksson, Olle; Johansson, Börje; Brooks, M. S. S.

    1989-01-01

    We present electronic-structure calculations for the isostructural (AuCu3-structure) series of intermetallic compounds ARh3 (A=Ac, Th, Pa, U, Np, Pu, Am, and Cm). The calculations were performed using both the scalar relativistic and the fully relativistic linear muffin-tin orbital (LMTO) method........ The localization of the 5f electrons in UPd3 as opposed to the itinerant 5f behavior for the earlier compounds (UMo3, UTc3 , URu3, and URh3) is explained in terms of the variation of the hybridization between 5f and ligand 4d states through the series....

  4. First principle study of cubic ScGaN ternaries

    Adli, W.; Mecheref, R.; Sekkal, N.; Tair, F.; Amrani, B.

    2008-08-01

    The electronic properties of the Sc x Ga1- x N ternary alloy are investigated. The transition from rocksalt (B1) to zinc blende (B3) structure is found to occur rapidly after incorporating just a small fraction (less than 1%) of Ga. In the present paper, the first principles method the full potential linear muffin-tin orbitals method (FPLMTO) in its atomic sphere approximation (ASA) coupled to the technique of the empty spheres is employed. Our results concerning the electronic properties are different from those reported in literature. (author)

  5. One-Electron Theory of Metals. Cohesive and Structural Properties

    Skriver, Hans Lomholt

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

  6. Self-consistent Green’s-function technique for surfaces and interfaces

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1991-01-01

    We have implemented an efficient self-consistent Green’s-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short...... ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find...

  7. A mm-wave planar microcavity structure for electron linear accelerator system

    Kang, Y.W.; Kustom, R.; Mills, F.; Mavrogenes, G.; Henke, H.

    1993-01-01

    The muffin-tin cavity structure is planar and well suited for mm-wave accelerator with silicon etching techniques. A constant impedance traveling-wave structure is considered for design simplicity. The RF parameters are calculated and the shunt impedance is compared with the shunt impedance of a disk loaded cylindrical structure

  8. Stability Analysis of Periodic Orbits in a Class of Duffing-Like Piecewise Linear Vibrators

    El Aroudi, A.

    2014-09-01

    In this paper, we study the dynamical behavior of a Duffing-like piecewise linear (PWL) springmass-damper system for vibration-based energy harvesting applications. First, we present a continuous time single degree of freedom PWL dynamical model of the system. From this PWL model, numerical simulations are carried out by computing frequency response and bifurcation diagram under a deterministic harmonic excitation for different sets of system parameter values. Stability analysis is performed using Floquet theory combined with Fillipov method.

  9. Stability Analysis of Periodic Orbits in a Class of Duffing-Like Piecewise Linear Vibrators

    El Aroudi, A.; Benadero, L.; Ouakad, H.; Younis, Mohammad I.

    2014-01-01

    In this paper, we study the dynamical behavior of a Duffing-like piecewise linear (PWL) springmass-damper system for vibration-based energy harvesting applications. First, we present a continuous time single degree of freedom PWL dynamical model of the system. From this PWL model, numerical simulations are carried out by computing frequency response and bifurcation diagram under a deterministic harmonic excitation for different sets of system parameter values. Stability analysis is performed using Floquet theory combined with Fillipov method.

  10. Stability Analysis of Periodic Orbits in a Class of Duffing-Like Piecewise Linear Vibrators

    El Aroudi A.

    2014-01-01

    Full Text Available In this paper, we study the dynamical behavior of a Duffing-like piecewise linear (PWL springmass-damper system for vibration-based energy harvesting applications. First, we present a continuous time single degree of freedom PWL dynamical model of the system. From this PWL model, numerical simulations are carried out by computing frequency response and bifurcation diagram under a deterministic harmonic excitation for different sets of system parameter values. Stability analysis is performed using Floquet theory combined with Fillipov method.

  11. A novel approach for epipolar resampling of cross-track linear pushbroom imagery using orbital parameters model

    Jannati, Mojtaba; Valadan Zoej, Mohammad Javad; Mokhtarzade, Mehdi

    2018-03-01

    This paper presents a novel approach to epipolar resampling of cross-track linear pushbroom imagery using orbital parameters model (OPM). The backbone of the proposed method relies on modification of attitude parameters of linear array stereo imagery in such a way to parallelize the approximate conjugate epipolar lines (ACELs) with the instantaneous base line (IBL) of the conjugate image points (CIPs). Afterward, a complementary rotation is applied in order to parallelize all the ACELs throughout the stereo imagery. The new estimated attitude parameters are evaluated based on the direction of the IBL and the ACELs. Due to the spatial and temporal variability of the IBL (respectively changes in column and row numbers of the CIPs) and nonparallel nature of the epipolar lines in the stereo linear images, some polynomials in the both column and row numbers of the CIPs are used to model new attitude parameters. As the instantaneous position of sensors remains fix, the digital elevation model (DEM) of the area of interest is not required in the resampling process. According to the experimental results obtained from two pairs of SPOT and RapidEye stereo imagery with a high elevation relief, the average absolute values of remained vertical parallaxes of CIPs in the normalized images were obtained 0.19 and 0.28 pixels respectively, which confirm the high accuracy and applicability of the proposed method.

  12. Simultaneous effects of hydrostatic pressure and spin–orbit coupling on linear and nonlinear intraband optical absorption coefficients in a GaAs quantum ring

    Mughnetsyan, V.N.; Manaselyan, A.Kh.; Barseghyan, M.G.; Kirakosyan, A.A.

    2013-01-01

    In this paper the simultaneous effect of hydrostatic pressure and Rashba spin–orbit interaction on intraband linear and nonlinear light absorption has been investigated in cylindrical quantum ring. The one electron energy spectrum has been found using the effective mass approximation and diagonalization procedure. We have found that the Rashba interaction can lead both to the blue- or to the red-shift of the absorption spectrum depending on the transitions character, while the only red-shift is observed due to the hydrostatic pressure. - Highlights: ► The effects of hydrostatic pressure and spin–orbit coupling are investigated for quantum ring. ► The non-linear absorption coefficient is calculated. ► The hydrostatic pressure leads to the decrease in the absorption coefficient. ► Spin–orbit coupling weakens some transitions and strengthens others.

  13. Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

    Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.

    2010-12-01

    Orbital-free density functional theory (OFDFT) is a first principles quantum mechanics method to find the ground-state energy of a system by variationally minimizing with respect to the electron density. No orbitals are used in the evaluation of the kinetic energy (unlike Kohn-Sham DFT), and the method scales nearly linearly with the size of the system. The PRinceton Orbital-Free Electronic Structure Software (PROFESS) uses OFDFT to model materials from the atomic scale to the mesoscale. This new version of PROFESS allows the study of larger systems with two significant changes: PROFESS is now parallelized, and the ion-electron and ion-ion terms scale quasilinearly, instead of quadratically as in PROFESS v1 (L. Hung and E.A. Carter, Chem. Phys. Lett. 475 (2009) 163). At the start of a run, PROFESS reads the various input files that describe the geometry of the system (ion positions and cell dimensions), the type of elements (defined by electron-ion pseudopotentials), the actions you want it to perform (minimize with respect to electron density and/or ion positions and/or cell lattice vectors), and the various options for the computation (such as which functionals you want it to use). Based on these inputs, PROFESS sets up a computation and performs the appropriate optimizations. Energies, forces, stresses, material geometries, and electron density configurations are some of the values that can be output throughout the optimization. New version program summaryProgram Title: PROFESS Catalogue identifier: AEBN_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBN_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 68 721 No. of bytes in distributed program, including test data, etc.: 1 708 547 Distribution format: tar.gz Programming language: Fortran 90 Computer

  14. Testing of advanced technique for linear lattice and closed orbit correction by modeling its application for iota ring at Fermilab

    Romanov, A. [Fermilab

    2016-10-09

    Many modern and most future accelerators rely on precise configuration of lattice and trajectory. The Integrable Optics Test Accelerator (IOTA) at Fermilab that is coming to final stages of construction will be used to test advanced approaches of control over particles dynamics. Various experiments planned at IOTA require high flexibility of lattice configuration as well as high precision of lattice and closed orbit control. Dense element placement does not allow to have ideal configuration of diagnostics and correctors for all planned experiments. To overcome this limitations advanced method of lattice an beneficial for other machines. Developed algorithm is based on LOCO approach, extended with various sets of other experimental data, such as dispersion, BPM BPM phase advances, beam shape information from synchrotron light monitors, responses of closed orbit bumps to variations of focusing elements and other. Extensive modeling of corrections for a big number of random seed errors is used to illustrate benefits from developed approach.

  15. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

    Riplinger, Christoph; Pinski, Peter; Becker, Ute; Neese, Frank; Valeev, Edward F.

    2016-01-01

    Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate

  16. Topological and homological properties of the orbit space of a compact linear Lie group with commutative connected component

    Styrt, O. G.

    2016-01-01

    The problem in question is whether the quotient space of a compact linear group is a topological manifold and whether it is a homological manifold. In the paper, the case of an infinite group with commutative connected component is considered.

  17. Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

    Schurkus, Henry F.; Ochsenfeld, Christian

    2016-01-01

    An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. 

  18. A pair natural orbital based implementation of CCSD excitation energies within the framework of linear response theory

    Frank, Marius S.; Hättig, Christof

    2018-04-01

    We present a pair natural orbital (PNO)-based implementation of coupled cluster singles and doubles (CCSD) excitation energies that builds upon the previously proposed state-specific PNO approach to the excited state eigenvalue problem. We construct the excited state PNOs for each state separately in a truncated orbital specific virtual basis and use a local density-fitting approximation to achieve an at most quadratic scaling of the computational costs for the PNO construction. The earlier reported excited state PNO construction is generalized such that a smooth convergence of the results for charge transfer states is ensured for general coupled cluster methods. We investigate the accuracy of our implementation by applying it to a large and diverse test set comprising 153 singlet excitations in organic molecules. Already moderate PNO thresholds yield mean absolute errors below 0.01 eV. The performance of the implementation is investigated through the calculations on alkene chains and reveals an at most cubic cost-scaling for the CCSD iterations with the system size.

  19. Energy band theory of heterometal superposed film and relevant comments on superconductivity in heterometal systems

    Zhang, L.; Yin, D.

    1981-08-01

    A method for calculating the electronic structure of a heterogeneous metal-metal interface is discussed. It combines a series of well-defined interface plane-wave orbitals and the muffin-tin orbitals. The problem of high-Tsub(c) superconductivity in systems containing metal-metal interfaces and the related problem in compounds is addressed

  20. Probing the CuO planes with positrons in high Tc cuprates: theoretical predictions

    Barbiellini, B.; Jarlborg, T.; Massidda, S.; Peter, M.

    1995-01-01

    Positron annihilation spectroscopy is a useful tool to investigate the Fermi surface in high T c superconductors. To study the physics of the copper-oxygen subsystem that forms the Cu-O layers, it is important to provide theoretical predictions, on materials where there is a large overlap between the positron and the interesting Cu-O planes. We have performed first-principle electronic structure calculations obtained using the linear muffin-tin orbital and the full-potential linearized augmented plane wave methods. The positron charge distributions and their sensitivity to different potentials are calculated. Secondly, we have computed the annihilation rates and the electron-positron momentum density in order to give predictions of the Fermi surface signals. (orig.)

  1. Structural and electronic properties of GaAsBi

    Achour, H.; Louhibi, S.; Amrani, B.; Tebboune, A.; Sekkal, N.

    2008-05-01

    The structural and electronic properties of the GaAs 1-x Bi x ternary alloy are investigated by means of two first principles and full potential methods, the linear augmented plane waves (FPLAPW) method and a recent version of the full potential linear muffin-tin orbitals method (FPLMTO) which enables an accurate treatment of the interstitial regions. In particular, we have found that the maximal GaBi mole fraction x for which GaBixAs 1-x remains a semiconductor is probably around x = 0.5. The electronic properties of (GaAs) m /(GaBi) n quantum well superlattices (SLs) have also been calculated and it is found that such SLs are semiconductors when m is larger or equal to n. (author)

  2. Introduction to First-Principles Electronic Structure Methods: Application to Actinide Materials

    Klepeis, J E

    2006-01-01

    This paper provides an introduction for non-experts to first-principles electronic structure methods that are widely used in condensed-matter physics. Particular emphasis is placed on giving the appropriate background information needed to better appreciate the use of these methods to study actinide and other materials. Specifically, I describe the underlying theory sufficiently to enable an understanding of the relative strengths and weaknesses of the methods. I also explain the meaning of commonly used terminology, including density functional theory (DFT), local density approximation (LDA), and generalized gradient approximation (GGA), as well as linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods. I also briefly discuss methodologies that extend the basic theory to address specific limitations. Finally, I describe a few illustrative applications, including quantum molecular dynamics (QMD) simulations and studies of surfaces, impurities, and defects. I conclude by addressing the current controversy regarding magnetic calculations for actinide materials

  3. Electronic structure of Chevrel-phase high-critical-field superconductors

    Andersen, Ole Krogh; Klose, W.; Nohl, H.

    1978-01-01

    Using muffin-tin orbitals and the atomic-sphere approximation, we have studied the band structures of Chevrel-phase molybdenum chalcogenides, MmMo6X8-x. Generally, these compounds exist for a broad variety of elements, M=Pb,Sn,Ag,Cu and X=S,Se,Te. m may be between 0 and 2, depending on the elemen...

  4. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)

    Guo, Yang

    2018-01-04

    In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

  5. Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)

    Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G.; Minenkov, Yury; Cavallo, Luigi; Neese, Frank

    2018-01-01

    In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

  6. Multiple collinear magnetic arrangements in thin Mn films supported on Fe(001). Antiferromagnetic versus ferromagnetic behavior

    Martinez, E.; Vega, A.; Robles, R.; Vazquez de Parga, A.L.

    2005-01-01

    We present a theoretical study of the magnetic properties of thin Mn films of 6 and 7 monolayers supported on Fe(001). The ab-initio tight binding linear muffin tin orbital (TB-LMTO) method was used to investigate the competition between ferromagnetic (F) and antiferromagnetic (AF) couplings within the system. We found several collinear magnetic solutions that may coexist at room temperature. The most stable configurations are characterized by AF coupling between the surface and subsurface Mn layers together with F coupling between Mn and Fe at the interface. The ground state arrangements for the 6 and 7 Mn films display opposite sign of the surface magnetic moment relative to the Fe substrate. The implications of these results in the possible onset of non-collinear magnetism when a step is present at the interface are discussed in comparison with Cr/Fe systems where non-collinear magnetism has been recently reported

  7. Calculations of hyperfine parameters in antimony compounds

    Svane, A.

    2003-01-01

    The electron contact density and electric-field gradient on the Sb nuclear position is calculated in a series of 22 Sb compounds, comprising metallic, covalent as well as ionic Sb(III) and Sb(V) systems. The full-potential linear-muffin-tin-orbitals method is used with the local-density-approximation for exchange and correlation effects. By comparison with experimental 121 Sb and 123 Sb nuclear quadrupole resonance data and 121 Sb Moessbauer data, the calibration constants relating measured quadrupole coupling constants and isomer shifts to the electric-field gradient and the electron contact density, respectively, are derived. This leads to an accurate determination of the quadrupole moment of the 121 Sb nuclear ground state as Q=-66.9 fm 2 . The difference between the mean-square radius of the 121 Sb nucleus in its excited isomeric and ground states is found to be Δ 2 >=-0.0521 fm 2

  8. Generalized augmented space theorem for correlated disorder and cluster coherent potential approximation

    Mookerjee, A.; Prasad, R.

    1993-09-01

    We present a method for calculating the electronic structure of disordered alloys with short range order (SRO) which guarantees positive density of states for all values of the SRO parameter. The method is based on the generalized augmented space theorem which is valid for alloys with SRO. This theorem is applied to alloys with SRO in the tight-binding linear muffin-tin orbital (TB-LMTO) framework. This is done by using the augmented space formulation of Mookerjee and cluster coherent potential approximation. As an illustration, the method is applied to a single band mode TB-LMTO Hamiltonian. We find that the SRO can induce substantial changes in the density of states. (author). 22 refs, 2 figs

  9. The calculation of the electron structure and optical properties of TiNi martensite

    Kul'kova, S.E.; Beketov, K.A.; Egorushkin, V.E.; Muryzhnikova, O.N.

    1995-01-01

    The self-consistent calculation of NiTi B2 and B19' phases have been performed by the linear muffin-tin orbital method in atomic sphere approximation (LMTO-ASA). Two approaches for calculation of B2-phase band structure have been used and the essential differences in the Fermi surface have been pointed out. The alterations of NiTi electron characteristics at the martensitic transition have been analyzed. The optical spectra and their peculiarities in B2 and monoclinic B19' phases have been discussed. In the frames of first principles method electron-positron annihilation characteristics in B2-NiTi have been investigated too. It was shown that a rather satisfactory agreement with experimental results for NiTi was achieved. (orig.)

  10. Full charge-density calculation of the surface energy of metals

    Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

    1994-01-01

    of a spherically symmetrized charge density, while the Coulomb and exchange-correlation contributions are calculated by means of the complete, nonspherically symmetric charge density within nonoverlapping, space-filling Wigner-Seitz cells. The functional is used to assess the convergence and the accuracy......We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by means...... of the linear-muffin-tin-orbitals (LMTO) method and the ASA in surface calculations. We find that the full charge-density functional improves the agreement with recent full-potential LMTO calculations to a level where the average deviation in surface energy over the 4d series is down to 10%....

  11. Self-consistent, relativistic, ferromagnetic band structure of gadolinium

    Harmon, B.N.; Schirber, J.; Koelling, D.D.

    1977-01-01

    An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed

  12. Theoretical study of structures of Ga5N5 cluster

    Song Bin; Cao Peilin

    2002-01-01

    The structures and energies of a Ga 5 N 5 cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga 5 N 5 cluster have been obtained. The most stable structure is a C 1 planar structure with a N 3 subunit. The Ga 5 N 5 clusters show a preference for a N 3 subunit, revealing the same behavior as in the Ga 3 N 3 and Ga 4 N 4 clusters. The existence of strong N-N bonds dominates the structure of a Ga 5 N 5 cluster. Through the calculation of the density of states we found that the most stable structure of Ga 5 N 5 clusters presented semiconductor-like properties

  13. Ab-initio study of the magneto-optical properties of the ultrathin films of Fe{sub n}/Au(001)

    Boukelkoul, Mebarek, E-mail: boukelkoul_mebarek@yahoo.fr [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); Haroun, Mohamed Fahim [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); Haroun, Abdelhalim [Laboratoire de Physique Quantique et Systèmes Dynamiques, Faculté des sciences, Université Sétif1, Sétif, 19000 Algeria (Algeria); IPCMS, UMR 7504 CNRS-UNISTRA, 23 Rue du Loess, Strasbourg, 67034 France (France)

    2016-12-15

    With the aim of understand the microscopic origin of the magneto-optical response in the Fe ultrathin films, we used the first principle full-relativistic Spin-Polarized Relativistic Linear Muffin-Tin Orbitals with Atomic Sphere Approximation. We performed an ab-initio study of the structural, magnetic and magneto-optical properties of Fe deposited on semi-infinite Au(001). The structure and growth of the film leads to a pseudomorphic body centered tetragonal structure with tetragonality ratio c/a=1.62, and the pseudomorphic growth is found to be larger than 3 monolayers. The magnetic study revealed a ferromagnetic phase with a large magnetic moment compared to the bulk one. The magneto-optical response is calculated via the polar magneto-optical Kerr effect over a photon energy range up to 10 eV. The most important features of the Kerr rotation spectra are interpreted trough the interband transitions between localized states.

  14. First principles electronic and thermal properties of some AlRE intermetallics

    Srivastava, Vipul; Sanyal, Sankar P.; Rajagopalan, M.

    2008-01-01

    A study on structural and electronic properties of non-magnetic cubic B 2 -type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grueneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grueneisen model and compared with the others' theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics

  15. Comparative study of electronic structure and charge transport in isostructural cuprates YBa2Cu3O7 and PrBa2Cu3O7

    Kormilets, V.I.

    1997-01-01

    The self-consistent calculations of electronic structure and charge distribution in YBa 2 Cu 3 O 7 and PrBa 2 Cu 3 O 7 crystals were performed by the method of linear muffin-tin orbitals with full potentials (FP-LMTO). It is revealed that the substitution of Pr for Y results in the charge transfer from a CuO chain to a CuO 2 plane. In its turn, this results in partial innihilation of holes responsible for superconductivity. The effect is analogous to that arisen from the removal of oxygen atoms from CuO chains. It is shown that the degree of covalence of 1-2-3 compounds being considered constitutes and essential value and decreases with pr substitution for Y

  16. First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure

    LIU Zhong-Li; CHENG Yan; TAN Ni-Na; GOU Qing-Quan

    2006-01-01

    The thermodynamic properties of LiBC are investigated by using the full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio (c/a)/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions (Li-B bonds or Li-C bonds) are more sensitive to temperature and pressure than intralayer ones (B-C bonds), as gives rise to the extreme lattice anisotropy in the bulk hcp LiBC.

  17. Spin injection and filtering in halfmetal/semiconductor (CrAs/GaAs) heterostructures

    Stickler, B. A.; Ertler, C.; Pötz, W.; Chioncel, L.; Arrigoni, E.

    2013-01-01

    Theoretical investigations of spin-dependent transport in GaAS/CrAs/GaAs halfmetal-semiconductor heterostructures indicate that this system is a candidate for an efficient room temperature spin injector and filter. The spin dependent electronic structure of zincblende CrAs and the band offset between GaAs and CrAs are determined by ab-initio calculations within the method of linear muffin tin orbitals (LMTO). This band structure is mapped onto an effective sp 3 d 5 s* nearest neighbor tight-binding (TB) Hamiltonian and the steady-state transport characteristic is calculated within a non-equilibrium Green’s function approach. Even at room temperature we find current spin polarizations up to 97%

  18. Geometric and electronic structures of small GaN clusters

    Song Bin; Cao Peilin

    2004-08-02

    The geometric and electronic structures of Ga{sub x}N{sub y} (x+y{<=}8) clusters have been calculated using a full-potential linear-muffin-tin-orbital method, combined with molecular dynamics and simulated annealing techniques. It is found that the structures, binding energies and HOMO-LUMO gaps of these clusters strongly depend on their size and composition. The lowest energy structures of these clusters are obtained, and the trends in the geometries are discussed. The binding energy of the cluster increases as the size of cluster increases. N-rich cluster has larger binding energy than Ga-rich ones. The HOMO-LUMO gaps of these clusters are evaluated.

  19. Theoretical study of the structure of a Ga{sub 6}N{sub 6} cluster

    Song Bin; Cao Peilin; Li Baoxing

    2003-08-25

    The structures and energies of a Ga{sub 6}N{sub 6} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics and simulated annealing techniques. We obtained 19 structures for a Ga{sub 6}N{sub 6} cluster. The most stable structure we obtained is a C{sub s} three-dimensional structure with a N{sub 2} and N{sub 3} subunits. The calculated results show that the existence of strong N-N bonds still dominates the structure of a Ga{sub 6}N{sub 6} cluster, supporting the previous result made by Kandalam et al. [J. Phys. Chem. B 106 (2002) 1945]. Through the calculation of the density of states we found that the most stable structure of Ga{sub 6}N{sub 6} clusters presented semiconductor-like properties.

  20. Surface shift of the occupied and unoccupied 4f levels of the rare-earth metals

    Aldén, Magnus; Johansson, Börje; Skriver, Hans Lomholt

    1995-01-01

    The surface energy shifts of the occupied and unoccupied 4f levels for the lanthanide metals have been calculated from first principles by means of a Green’s-function technique within the tight-binding linear muffin-tin orbitals method. We use the concept of complete screening to identify...... the occupied and unoccupied 4f energy level shifts as the surface segregation energy of a 4fn-1 and 4fn+1 impurity atom, respectively, in a 4fn host metal. The calculations include both initial- and final-state effects and give values that are considerably lower than those measured on polycrystalline samples...... as well as those found in previous initial-state model calculations. The present theory agrees well with very recent high-resolution, single-crystal film measurements for Gd, Tb, Dy, Ho, Er, Tm, and Lu. We furthermore utilize the unique possibility offered by the lanthanide metals to clarify the roles...

  1. Electronic topological transitions in Zn under compression

    Kechin, Vladimir V.

    2001-01-01

    The electronic structure of hcp Zn under pressure up to 10 GPa has been calculated self-consistently by means of the scalar relativistic tight-binding linear muffin-tin orbital method. The calculations show that three electronic topological transitions (ETT's) occur in Zn when the c/a axial ratio diminishes under compression. One transition occurs at c/a~=1.82 when the ``needles'' appear around the symmetry point K of the Brillouin zone. The other two transitions occur at c/a~=3, when the ``butterfly'' and ``cigar'' appear simultaneously both around the L point. It has been shown that these ETT's are responsible for a number of anomalies observed in Zn at compression.

  2. Ab initio study of mechanical and thermo-acoustic properties of tough ceramics: applications to HfO2 in its cubic and orthorhombic phase

    Ponce, C A; Casali, R A; Caravaca, M A

    2008-01-01

    By means of the ab initio all-electron new full-potential linear-muffin-tin orbitals method, calculations were made for elastic constants C 11 , C 12 and C 44 for Si, ZrO 2 and HfO 2 in their cubic phase, and constants C 11 , C 22 , C 33 , C 12 , C 13 , C 23 , C 44 , C 55 and C 66 for HfO 2 in its orthorhombic phase. Using the Voigt and Reuss theory, estimations were made for polycrystals of their bulk, shear and Young moduli, and Poisson coefficients. The speed of elastic wave propagations and Debye temperatures were estimated for polycrystals built from Si and the above mentioned compounds. The semicore 4f 14 electrons should be included in the valence set of Hf atom in this all-electron approach if accurate results for elastic properties under pressures are looked for

  3. Scheme for ab initio calculation of the Green function in large disordered systems with application to transport properties

    Tanaka, Hiroshi

    1998-01-01

    A real-space scheme is developed to calculate matrix elements of the Green function from first principles for large disordered systems. The scheme is an extension of the particle source method, combined with the tight-binding linear muffin-tin orbitals and has the following advantages: (i) It is possible to evaluate both the diagonal and off-diagonal parts of the Green function and also their products with other quantum operators, (ii) it allows for an explicit control of the numerical accuracy and clear-cut physical interpretations of the results on the basis of the definition of the Green function, and (iii) the scheme is suitable for both vector and parallel processing and requires CPU time and memory size proportional only to the system size. The method is applied to the densities of states of bcc and amorphous Fe. The dc conductivity is also evaluated for the latter from the Kubo-Greenwood formula.

  4. Surface energy and work function of elemental metals

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    and noble metals, as derived from the surface tension of liquid metals. In addition, they give work functions which agree with the limited experimental data obtained from single crystals to within 15%, and explain the smooth behavior of the experimental work functions of polycrystalline samples......We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...

  5. Electronic structure, superconductivity, and spin fluctuations in the A15 compounds A3B: A = V, Nb; B = Ir,Pt,Au

    Jarlborg, T.; Junod, A.; Peter, M.

    1983-01-01

    The electronic structure of six A15 compounds V 3 Ir, V 3 Pt, V 3 Au, Nb 3 Ir, Nb 3 Pt, and Nb 3 Au has been determined by means of self-consistent semirelativistic linear muffin-tin orbital band calculations. Parameters related to superconductivity such as electron-phonon coupling, transition temperature, electronic specific heat, and magnetic exchange enhancement are derived from the electronic-structure results. Generally the results obtained agree well with experimental values, with the exception of Nb 3 Pt and V 3 Au. In the former compound the density of states (DOS) has a sharp increase at E/sub F/ making the exact DOS value uncertain. In V 3 Au the high calculated T/sub c/ and the Stoner factor indicate that spin fluctuations may be limiting the T/sub c/. .AE

  6. Fourier transform of momentum distribution in vanadium

    Singh, A.K.; Manuel, A.A.; Peter, M.; Singru, R.M.

    1985-01-01

    Experimental Compton profile and 2D-angular correlation of positron annihilation radiation data from vanadium are analyzed by the mean of their Fourier transform. They are compared with the functions calculated with the help of both the linear muffin-tin orbital and the Hubbard-Mijnarends band structure methods. The results show that the functions are influenced by the positron wave function, by the e + -e - many-body correlations and by the differences in the electron wave functions used for the band structure calculations. It is concluded that Fourier analysis is a sensitive approach to investigate the momentum distributions in transition metals and to understnad the effects of the positron. (Auth.)

  7. Half-metallic ferromagnetism in nitrogen - doped ionic insulator (Li2O): a DFT study

    Eithiraj, R.D.; Kalpana, G.

    2010-01-01

    The tight binding linear muffin-tin orbital (TB-LMTO) method, is used to study the electronic structure and magnetism in nitrogen - doped Li 2 O (antifluorite - CaF 2 structure). Total energy calculations show that the antifluorite ferromagnetic state is more stable than the antifluorite non-magnetic state at equilibrium volume. Ground state properties such as equilibrium lattice constant and bulk modulus were calculated. The calculations reveal that non-magnetic impurities can induce stable half-metallic ferromagnetic ground state in Li 2 O. The magnetic moment of nitrogen doped Li 2 O can be tuned over a range between 1.00 μ B and 3.00 μ B by changing the concentration of nitrogen from 25% to 75%. (author)

  8. One-electron theory of metals

    Skriver, H.L.

    1984-12-01

    The work described in the report and the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from self-consistent electronic-structure calculations performed by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth metals, and the localization of 3d, 4f, and 5f electrons in the 3d metal monoxides, the light lanthanides, and the actinides, respectively, as well as the cohesive properties of metals in general. (orig.)

  9. First-principles real-space tight-binding LMTO calculation of electronic structures for atomic clusters

    Xie, Z.L.; Dy, K.S.; Wu, S.Y.

    1997-01-01

    A real-space scheme has been developed for a first-principles calculation of electronic structures and total energies of atomic clusters. The scheme is based on the combination of the tight-binding linear muffin-tin orbital (TBLMTO) method and the method of real-space Green close-quote s function. With this approach, the local electronic density of states can be conveniently determined from the real-space Green close-quote s function. Furthermore, the full electron density of a cluster can be directly calculated in real space. The scheme has been shown to be very efficient due to the incorporation of the method of real-space Green close-quote s function and Delley close-quote s method of evaluating multicenter integrals. copyright 1996 The American Physical Society

  10. Application of a general self-consistency scheme in the linear combination of atomic orbitals formalism to the electronic and structural properties of Si and W

    Chan, C.T.; Vanderbilt, D.; Louie, S.G.; Materials and Molecular Research Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720)

    1986-01-01

    We present a general self-consistency procedure formulated in momentum space for electronic structure and total-energy calculations of crystalline solids. It is shown that both the charge density and the change in the Hamiltonian matrix elements in each iteration can be calculated in a straight-forward fashion once a set of overlap matrices is computed. The present formulation has the merit of bringing the self-consistency problem for different basis sets to the same footing. The scheme is used to extend a first-principles pseudopotential linear combination of Gaussian orbitals method to full point-by-point self-consistency, without refitting of potentials. It is shown that the set of overlap matrices can be calculated very efficiently if we exploit the translational and space-group symmetries of the system under consideration. This scheme has been applied to study the structural and electronic properties of Si and W, prototypical systems of very different bonding properties. The results agree well with experiment and other calculations. The fully self-consistent results are compared with those obtained by a variational procedure [J. R. Chelikowsky and S. G. Louie, Phys. Rev. B 29, 3470 (1984)]. We find that the structural properties for bulk Si and W (both systems have no interatomic charge transfer) can be treated accurately by the variational procedure. However, full self-consistency is needed for an accurate description of the band energies

  11. Electronic structure and magnetic properties of Pd sub(3)Fe

    Kuhnen, C.A.

    1988-01-01

    In this work we study the electronic and magnetic properties of the Pd sub(3)Fe alloy. For the ordered phase of Pd sub(3)Fe we employed the Linear Muffin-Tin Orbitals Method, with the atomic sphere approximation, which is a first principles method and includes spin polarization. The theoretical results for the thermal and magnetic properties show good agreement with experience. Here we explain the formation of the localized magnetic moments from completely itinerant electrons. We investigate the influence of the hydrogen in the physical properties of the compound Pd sub(3)Fe, where we obtain a drastic reduction in the magnetic moments at the Pd and Fe sites. This reduction is confirmed by experience. The self consistent potentials of the Pd sub(3)Fe compound were used for an analysis of the influence of the disorder in the electronic structure of Pd sub(3)Fe alloy. To this end, we employ a spin polarized version of the Green's Function Method with the Coherent Potential Approximation (or KKR-CPA). The results obtained show that in random ferromagnetic alloys different degrees of disorder occurs for the different spin directions. The formation of the magnetic moments in these alloys were explained from the existence of 'virtual crystal' states for spin up electrons and 'split band' states for spin down electrons. Finally we employ the muffin-tin orbitals to calculate the X-ray photoemission spectra of the Pd sub(3)Fe and Pd sub(3)FeH compounds, which allows us a direct comparison between theory and experiment. (author)

  12. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

    Guo, Yang; Sivalingam, Kantharuban; Neese, Frank, E-mail: Frank.Neese@cec.mpg.de [Max Planck Institut für Chemische Energiekonversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr (Germany); Valeev, Edward F. [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24014 (United States)

    2016-03-07

    Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling “partially contracted” NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient “electron pair prescreening” that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed

  13. Incorporation of star measurements for the determination of orbit and attitude parameters of a geosynchronous satellite: An iterative application of linear regression

    Phillips, D.

    1980-01-01

    Currently on NOAA/NESS's VIRGS system at the World Weather Building star images are being ingested on a daily basis. The image coordinates of the star locations are measured and stored. Subsequently, the information is used to determine the attitude, the misalignment angles between the spin axis and the principal axis of the satellite, and the precession rate and direction. This is done for both the 'East' and 'West' operational geosynchronous satellites. This orientation information is then combined with image measurements of earth based landmarks to determine the orbit of each satellite. The method for determining the orbit is simple. For each landmark measurement one determines a nominal position vector for the satellite by extending a ray from the landmark's position towards the satellite and intersecting the ray with a sphere with center coinciding with the Earth's center and with radius equal to the nominal height for a geosynchronous satellite. The apparent motion of the satellite around the Earth's center is then approximated with a Keplerian model. In turn the variations of the satellite's height, as a function of time found by using this model, are used to redetermine the successive satellite positions by again using the Earth based landmark measurements and intersecting rays from these landmarks with the newly determined spheres. This process is performed iteratively until convergence is achieved. Only three iterations are required.

  14. On the statistics of the minimal solution of a linear Diophantine equation and uniform distribution of the real part of orbits in hyperbolic spaces

    Risager, Morten S.; Rudnick, Zeev

    We study a variant of a problem considered by Dinaburg and Sinai on the statistics of the minimal solution to a linear Diophantine equation. We show that the signed ratio between the Euclidean norms of the minimal solution and the coefficient vector is uniformly distributed modulo one. We reduce ...

  15. Electron spin polarization induced by spin Hall effect in semiconductors with a linear in the momentum spin-orbit splitting of conduction band

    Korenev, V. L.

    2005-01-01

    It is shown that spin Hall effect creates uniform spin polarization of electrons in semiconductor with a linear in the momentum spin splitting of conduction band. In turn, the profile of the non-uniform spin polarization accumulated at the edge of the sample oscillates in space even in the absence of an external magnetic field.

  16. Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals

    Pinski, Peter; Riplinger, Christoph; Neese, Frank, E-mail: evaleev@vt.edu, E-mail: frank.neese@cec.mpg.de [Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr (Germany); Valeev, Edward F., E-mail: evaleev@vt.edu, E-mail: frank.neese@cec.mpg.de [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2015-07-21

    In this work, a systematic infrastructure is described that formalizes concepts implicit in previous work and greatly simplifies computer implementation of reduced-scaling electronic structure methods. The key concept is sparse representation of tensors using chains of sparse maps between two index sets. Sparse map representation can be viewed as a generalization of compressed sparse row, a common representation of a sparse matrix, to tensor data. By combining few elementary operations on sparse maps (inversion, chaining, intersection, etc.), complex algorithms can be developed, illustrated here by a linear-scaling transformation of three-center Coulomb integrals based on our compact code library that implements sparse maps and operations on them. The sparsity of the three-center integrals arises from spatial locality of the basis functions and domain density fitting approximation. A novel feature of our approach is the use of differential overlap integrals computed in linear-scaling fashion for screening products of basis functions. Finally, a robust linear scaling domain based local pair natural orbital second-order Möller-Plesset (DLPNO-MP2) method is described based on the sparse map infrastructure that only depends on a minimal number of cutoff parameters that can be systematically tightened to approach 100% of the canonical MP2 correlation energy. With default truncation thresholds, DLPNO-MP2 recovers more than 99.9% of the canonical resolution of the identity MP2 (RI-MP2) energy while still showing a very early crossover with respect to the computational effort. Based on extensive benchmark calculations, relative energies are reproduced with an error of typically <0.2 kcal/mol. The efficiency of the local MP2 (LMP2) method can be drastically improved by carrying out the LMP2 iterations in a basis of pair natural orbitals. While the present work focuses on local electron correlation, it is of much broader applicability to computation with sparse tensors in

  17. Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

    Zuehlsdorff, T. J., E-mail: tjz21@cam.ac.uk; Payne, M. C. [Cavendish Laboratory, J. J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Hine, N. D. M. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Haynes, P. D. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

    2015-11-28

    We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.

  18. Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform

    Nagy, Péter R.; Kállay, Mihály

    2017-06-01

    An improved algorithm is presented for the evaluation of the (T) correction as a part of our local natural orbital (LNO) coupled-cluster singles and doubles with perturbative triples [LNO-CCSD(T)] scheme [Z. Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The new algorithm is an order of magnitude faster than our previous one and removes the bottleneck related to the calculation of the (T) contribution. First, a numerical Laplace transformed expression for the (T) fragment energy is introduced, which requires on average 3 to 4 times fewer floating point operations with negligible compromise in accuracy eliminating the redundancy among the evaluated triples amplitudes. Second, an additional speedup factor of 3 is achieved by the optimization of our canonical (T) algorithm, which is also executed in the local case. These developments can also be integrated into canonical as well as alternative fragmentation-based local CCSD(T) approaches with minor modifications. As it is demonstrated by our benchmark calculations, the evaluation of the new Laplace transformed (T) correction can always be performed if the preceding CCSD iterations are feasible, and the new scheme enables the computation of LNO-CCSD(T) correlation energies with at least triple-zeta quality basis sets for realistic three-dimensional molecules with more than 600 atoms and 12 000 basis functions in a matter of days on a single processor.

  19. Orbit Functions

    Anatoliy Klimyk

    2006-01-01

    Full Text Available In the paper, properties of orbit functions are reviewed and further developed. Orbit functions on the Euclidean space E_n are symmetrized exponential functions. The symmetrization is fulfilled by a Weyl group corresponding to a Coxeter-Dynkin diagram. Properties of such functions will be described. An orbit function is the contribution to an irreducible character of a compact semisimple Lie group G of rank n from one of its Weyl group orbits. It is shown that values of orbit functions are repeated on copies of the fundamental domain F of the affine Weyl group (determined by the initial Weyl group in the entire Euclidean space E_n. Orbit functions are solutions of the corresponding Laplace equation in E_n, satisfying the Neumann condition on the boundary of F. Orbit functions determine a symmetrized Fourier transform and a transform on a finite set of points.

  20. Proton channeling in Au at low energies

    Valdes, J.E.; Vargas, P.

    1996-01-01

    The electronic energy loss for low velocity protons channeled in the direction single crystal Au is calculated. The spatial distribution of valence electronic density in Au is calculated using Tight Binding Linear Muffin Tin Method. The proton trajectories are determined by numerical integration of the classical motion equation, and the energy loss is evaluated using the calculated valence electronic density in the friction term. The results allow to describe qualitatively the non linear behavior of energy loss with ion velocity observed experimentally. (author)

  1. ORBITAL INJURIES

    Andrej Kansky

    2002-12-01

    Full Text Available Background. Orbit is involved in 40% of all facial fractures. There is considerable variety in severity, ranging from simple nondisplaced to complex comminuted fractures. Complex comminuted fractures (up to 20% are responsible for the majority of complications and unfavorable results. Orbital fractures are classified as internal orbital fractures, zygomatico-orbital fractures, naso-orbito-ethmoidal fractures and combined fractures. The ophtalmic sequelae of midfacial fractures are usually edema and ecchymosis of the soft tissues, subconjuctival hemorrhage, diplopia, iritis, retinal edema, ptosis, enophthalmos, ocular muscle paresis, mechanical restriction of ocular movement and nasolacrimal disturbances. More severe injuries such as optic nerve trauma and retinal detachments have also been reported. Within the wide range of orbital fractures small group of complex fractures causes most of the sequelae. Therefore identification of severe injuries and adequate treatment is of major importance. The introduction of craniofacial techniques made possible a wide exposure even of large orbital wall defects and their reconstruction by bone grafts. In spite of significant progress, repair of complex orbital wall defects remains a problem even for the experienced surgeons.Results. In 1999 121 facial injuries were treated at our department (Clinical Centre Ljubljana Dept. Of Maxillofacial and Oral Surgery. Orbit was involved in 65% of cases. Isolated inner orbital fractures presented 4% of all fractures. 17 (14% complex cases were treated, 5 of them being NOE, 5 orbital (frame and inner walls, 3 zygomatico-orbital, 2 FNO and 2 maxillo-orbital fractures.Conclusions. Final result of the surgical treatment depends on severity of maxillofacial trauma. Complex comminuted fractures are responsable for most of the unfavorable results and ocular function is often permanently damaged (up to 75% in these fractures.

  2. [Orbital inflammation].

    Mouriaux, F; Coffin-Pichonnet, S; Robert, P-Y; Abad, S; Martin-Silva, N

    2014-12-01

    Orbital inflammation is a generic term encompassing inflammatory pathologies affecting all structures within the orbit : anterior (involvement up to the posterior aspect of the globe), diffuse (involvement of intra- and/or extraconal fat), apical (involvement of the posterior orbit), myositis (involvement of only the extraocular muscles), dacryoadenitis (involvement of the lacrimal gland). We distinguish between specific inflammation and non-specific inflammation, commonly referred to as idiopathic inflammation. Specific orbital inflammation corresponds to a secondary localization of a "generalized" disease (systemic or auto-immune). Idiopathic orbital inflammation corresponds to uniquely orbital inflammation without generalized disease, and thus an unknown etiology. At the top of the differential diagnosis for specific or idiopathic orbital inflammation are malignant tumors, represented most commonly in the adult by lympho-proliferative syndromes and metastases. Treatment of specific orbital inflammation begins with treatment of the underlying disease. For idiopathic orbital inflammation, treatment (most often corticosteroids) is indicated above all in cases of visual loss due to optic neuropathy, in the presence of pain or oculomotor palsy. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  3. A ''quadratized'' augmented plane wave method

    Smrcka, L.

    1982-02-01

    The exact radial solution inside the muffin-tin sphere is replaced by its Taylor expansion with respect to the energy, truncated after the quadratic term. Making use of it the energy independent augmented plane waves are formed which lead to the secular equations linear in energy. The method resembles the currently used linearized APW method but yields higher accuracy. The analysis of solution inside one muffin-tin sphere shows that the eigenvalue error is proportional to (E-E 0 ) 6 as compared with (E-E 0 ) 4 for LAPW. The error of eigenfunctions is (E-E 0 ) 3 ((E-E 0 ) 2 for LAPW). These conclusions are confirmed by direct numerical calculation of band structure of Cu and Al. (author)

  4. Linear Discriminant Analysis for the in Silico Discovery of Mechanism-Based Reversible Covalent Inhibitors of a Serine Protease: Application of Hydration Thermodynamics Analysis and Semi-empirical Molecular Orbital Calculation.

    Masuda, Yosuke; Yoshida, Tomoki; Yamaotsu, Noriyuki; Hirono, Shuichi

    2018-01-01

    We recently reported that the Gibbs free energy of hydrolytic water molecules (ΔG wat ) in acyl-trypsin intermediates calculated by hydration thermodynamics analysis could be a useful metric for estimating the catalytic rate constants (k cat ) of mechanism-based reversible covalent inhibitors. For thorough evaluation, the proposed method was tested with an increased number of covalent ligands that have no corresponding crystal structures. After modeling acyl-trypsin intermediate structures using flexible molecular superposition, ΔG wat values were calculated according to the proposed method. The orbital energies of antibonding π* molecular orbitals (MOs) of carbonyl C=O in covalently modified catalytic serine (E orb ) were also calculated by semi-empirical MO calculations. Then, linear discriminant analysis (LDA) was performed to build a model that can discriminate covalent inhibitor candidates from substrate-like ligands using ΔG wat and E orb . The model was built using a training set (10 compounds) and then validated by a test set (4 compounds). As a result, the training set and test set ligands were perfectly discriminated by the model. Hydrolysis was slower when (1) the hydrolytic water molecule has lower ΔG wat ; (2) the covalent ligand presents higher E orb (higher reaction barrier). Results also showed that the entropic term of hydrolytic water molecule (-TΔS wat ) could be used for estimating k cat and for covalent inhibitor optimization; when the rotational freedom of the hydrolytic water molecule is limited, the chance for favorable interaction with the electrophilic acyl group would also be limited. The method proposed in this study would be useful for screening and optimizing the mechanism-based reversible covalent inhibitors.

  5. Orbit Propagation and Determination of Low Earth Orbit Satellites

    Ho-Nien Shou

    2014-01-01

    Full Text Available This paper represents orbit propagation and determination of low Earth orbit (LEO satellites. Satellite global positioning system (GPS configured receiver provides position and velocity measures by navigating filter to get the coordinates of the orbit propagation (OP. The main contradictions in real-time orbit which is determined by the problem are orbit positioning accuracy and the amount of calculating two indicators. This paper is dedicated to solving the problem of tradeoffs. To plan to use a nonlinear filtering method for immediate orbit tasks requires more precise satellite orbit state parameters in a short time. Although the traditional extended Kalman filter (EKF method is widely used, its linear approximation of the drawbacks in dealing with nonlinear problems was especially evident, without compromising Kalman filter (unscented Kalman Filter, UKF. As a new nonlinear estimation method, it is measured at the estimated measurements on more and more applications. This paper will be the first study on UKF microsatellites in LEO orbit in real time, trying to explore the real-time precision orbit determination techniques. Through the preliminary simulation results, they show that, based on orbit mission requirements and conditions using UKF, they can satisfy the positioning accuracy and compute two indicators.

  6. Rietveld analysis and electronic bands structure on Tc superconductors systems

    Aldea, N.; Tiusan, C. V.; Sandu, V.

    1999-01-01

    A procedure for simultaneous refinement of structural and micro-structural disorder parameters for polycrystalline YBa 2 Cu 3 O 7-x system is proposed. It is based on Rietveld method combined with Fourier analysis for broadened peaks Another purpose of this paper consists in electronic structure determination studied by using the self-consistent Tight Binding Linear Muffin-Tin Orbital Atomic Spheres Approximation TB-LMTO-ASA methods. The Rietveld method uses an analytical function that describes the profiles, usually pseudo-Voigt (pV) or Pearson VII (PVII). The parameters of the analytical profiles describe its amplitude, position and peak shape. The full width at half maximum (FWHM) is supposed to vary with the diffraction angle in agreement with the Caglioti, Paoletti and Ricci's relationship. The best structural parameters are determined in the least squares sense by the minimisation a classical residual using the Marquardt method. In this case, the peak profiles were modelled by the pseudo-Voigt function corrected by the instrumental asymmetry. The physical information obtained are: scale factor, lattice parameters, atomic position and displacements, atomic occupation numbers, temperature factor (isotropy or anisotropy), preferred orientation parameter, crystalline size and micro-strain along different crystallographic directions, distributions of crystallite size and micro-strain functions. This procedure was implemented on computer code and it has a friendly graphical interface based on pull down menus technique. From the experimental point of view the X-ray diffraction data were collected using a horizontal powder diffractometer in the Bragg-Brentano (BB) geometry with a Ni filtered CuKα, λ = 1.54178 A, at room temperature using a DRON 2 set-up. The diffraction profiles were measured with a proportional gas detector, a single channel pulse-height discrimination and a standard associated counting circuit. The electronic band calculations are based on the TB

  7. Orbital transport

    Oertel, H. Jr.; Koerner, H.

    1993-01-01

    The Third Aerospace Symposium in Braunschweig presented, for the first time, the possibility of bringing together the classical disciplines of aerospace engineering and the natural science disciplines of meteorology and air chemistry in a european setting. In this way, aspects of environmental impact on the atmosphere could be examined quantitatively. An essential finding of the european conference, is the unrestricted agreement of the experts that the given launch frequencies of the present orbital transport result in a negligible amount of pollutants being released in the atmosphere. The symposium does, however, call attention to the increasing need to consider the effect of orbital and atmospheric environmental impact of a future increase in launch frequencies of orbital transport in connection with future space stations. The Third Aerospace Symposium, 'Orbital Transport, Technical, Meteorological and Chemical Aspects', constituted a first forum of discussion for engineers and scientists. Questions of new orbital transport technologies and their environmental impact were to be discussed towards a first consensus. Through the 34 reports and articles, the general problems of space transportation and environmental protection were addressed, as well as particular aspects of high temperatures during reentry in the atmosphere of the earth, precision navigation of flight vehicles or flow behavior and air chemistry in the stratosphere. (orig./CT). 342 figs

  8. Band-Structure of Thallium by the LMTO Method

    Holtham, P. M.; Jan, J. P.; Skriver, Hans Lomholt

    1977-01-01

    by an energy gap. The 6d and 7s bands were found to be far above the Fermi level and the 5d states were found to be far below it. Fermi surface properties and the electronic specific heat are computed and compared with experiment. The joint density of states has also been computed and is in reasonable...... and p bands for the HCP structure. Energy bands have been evaluated both with and without spin-orbit coupling which is particularly large in thallium. Energy bands close to the Fermi level were found to be mainly 6p like in character. The 6s states lay below the 6p bands and were separated from them......The relativistic band structure of thallium has been calculated using the linear muffin-tin orbital (LMTO) method. The positions and extents of the bands were found to follow the Wigner-Seitz rule approximately, and the origin of the dispersion of the bands was established from the canonical s...

  9. Electronic structures and magnetic properties of 3d and 4d transition-metal impurities in ferromagnetic Fe

    Park, J H; Min, B I; Cho, H S

    2000-01-01

    Employing the self-consistent local approach, the tight-binding linear-muffin-tin orbital recursion method, we have investigated the electronic structures and the magnetic properties of 3d and 4d transition-metal (TM) impurities in ferromagnetic bcc Fe. In both 3d and 4d TM impurities, virtual bound states appear and are characterized by a high density of states in the energy spectrum. The characters of the states are studied by calculating the bond order between interaction orbitals. For early TM impurities, the states at the impurity sites have more antibonding characters, while the states at neighboring Fe sites have more bonding characters. For late TM impurities, the situation is reversed. late TM impurities of both the 3d and the 4d TM series have the same magnetic ordering as the host Fe atoms whereas early TM impurities have magnetic moments antiparallel to that of the host. As for the Mn impurity, an inward relaxation of neighboring Fe atoms stabilizes the antiferromagnetic ordering with respect to t...

  10. Density functional theory study on the electronic structure of UAl3 and USn3

    Tan Mingqiu; Tao Xiangming; Xu Xiaojun; Cai Jianqiu

    2003-01-01

    Authors report an ab initio study on the electronic properties of 5f states in U X 3 (X=Al, Sn) by full-potential linear muffin-tin orbitals L(S)DA calculations. The relativistic effects which are quite remarkable for heavy atoms such as U, have been treated by using scalar relativistic and spin-orbital coupling corrections. The calculations presented in this article have addressed following issues: firstly, the numerical results illustrates the different U 5f itineracy in UAl 3 and USn 3 qualitatively, and then the heavy fermion behavior of USn 3 ; secondly, using Stuttgart-fatband analysis, authors have confirmed the above conclusion quantitatively. In addition to the above results, the calculation involved in this research has resolved the discrepancy between previous density functional theory studies on these compounds, especially the band structure dispersion in M-X direction of simple cubic USn 3 . In conclusion, this study has approached a more precise description for these uranium compounds on the basis of modern density functional theory calculation and described USn 3 as a heavy fermion system due to its localized U 5f electronic states theoretically

  11. Ground state searches in fcc intermetallics

    Wolverton, C.; de Fontaine, D.; Ceder, G.; Dreysse, H.

    1991-12-01

    A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration

  12. Introduction to First-Principles Electronic Structure Methods: Application to Actinide Materials

    Klepeis, J E

    2005-01-01

    The purpose of this paper is to provide an introduction for non-experts to first-principles electronic structure methods that are widely used in the field of condensed-matter physics, including applications to actinide materials. The methods I describe are based on density functional theory (DFT) within the local density approximation (LDA) and the generalized gradient approximation (GGA). In addition to explaining the meaning of this terminology I also describe the underlying theory itself in some detail in order to enable a better understanding of the relative strengths and weaknesses of the methods. I briefly mention some particular numerical implementations of DFT, including the linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods, as well as general methodologies that go beyond DFT and specifically address some of the weaknesses of the theory. The last third of the paper is devoted to a few selected applications that illustrate the ideas discussed in the first two-thirds. In particular, I conclude by addressing the current controversy regarding magnetic DFT calculations for actinide materials. Throughout this paper particular emphasis is placed on providing the appropriate background to enable the non-expert to gain a better appreciation of the application of first-principles electronic structure methods to the study of actinide and other materials

  13. Effect of random vacancies on the electronic properties of graphene and T graphene: a theoretical approach

    Sadhukhan, B.; Nayak, A.; Mookerjee, A.

    2017-12-01

    In this communication we present together four distinct techniques for the study of electronic structure of solids: the tight-binding linear muffin-tin orbitals, the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from π and π* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, τ (ěc {q}) of ěc {q} labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.

  14. AlxGa1--xN/GaN band offsets determined by deep-level emission

    Hang, D. R.; Chen, C. H.; Chen, Y. F.; Jiang, H. X.; Lin, J. Y.

    2001-01-01

    We present studies of the compositional dependence of the optical properties of Al x Ga 1-x N(0 x Ga 1-x N. As aluminum concentration increases, the color of the band changes from yellow (2.2 eV) to blue (2.6 eV). The shift was less than that of the band gap. Together with previously published studies, it implies that the deep acceptor level is pinned to a common reference level to both materials, thus the deep level responsible for the yellow emission is used as a common reference level to determine the band alignment in Al x Ga 1-x N/GaN heterojunctions. Combining with the near-band-edge modulation spectra, the estimated ratio of conduction-to-valence band discontinuity is 65:35. Our results are close to the values obtained from PL measurements on Al 0.14 Ga 0.86 N/GaN quantum wells and those calculated by linear muffin-tin orbital method and linearized augmented plane wave method. copyright 2001 American Institute of Physics

  15. Structural and electronic properties of ScxAl1−xN: First principles study

    Berkok, Houria; Tebboune, Abdelghani; Saim, Asmaa; Belbachir, Ahmed H

    2013-01-01

    The structural and electronic properties of Sc x Al 1−x N ternary semiconductor alloys are investigated in the rocksalt, zinc blend and wurtzite structures using the full potential linear muffin tin orbitals (FP-LMTO) method. The local density approximation (LDA) was used for the exchange and correlation energy density functional. In particular, the lattice constant, bulk modulus and band gap energies of ScN and AlN compounds and their ternary alloys Sc x Al 1−x N are calculated in rocksalt, zinc blend and wurtzite structures and discussed. A linear relationship has obtained for equilibrium lattice constants versus Sc concentration for rocksalt and zinc blend structures. The band gap is decreased with the increasing of Sc concentration in the rocksalt phase. For ZB-Sc x Al 1−x N, the band gap is the largest one at x=0.25 and changes from indirect to direct when x is more than 0.25

  16. Orbit analysis

    Michelotti, L.

    1995-01-01

    The past fifteen years have witnessed a remarkable development of methods for analyzing single particle orbit dynamics in accelerators. Unlike their more classic counterparts, which act upon differential equations, these methods proceed by manipulating Poincare maps directly. This attribute makes them well matched for studying accelerators whose physics is most naturally modelled in terms of maps, an observation that has been championed most vigorously by Forest. In the following sections the author sketchs a little background, explains some of the physics underlying these techniques, and discusses the best computing strategy for implementing them in conjunction with modeling accelerators

  17. Brane orbits

    Bergshoeff, Eric A; Riccioni, Fabio

    2012-01-01

    We complete the classification of half-supersymmetric branes in toroidally compactified IIA/IIB string theory in terms of representations of the T-duality group. As a by-product we derive a last wrapping rule for the space-filling branes. We find examples of T-duality representations of branes in lower dimensions, suggested by supergravity, of which none of the component branes follow from the reduction of any brane in ten-dimensional IIA/IIB string theory. We discuss the constraints on the charges of half-supersymmetric branes, determining the corresponding T-duality and U-duality orbits.

  18. Orbit analysis

    Michelotti, L.

    1995-01-01

    The past fifteen years have witnessed a remarkable development of methods for analyzing single particle orbit dynamics in accelerators. Unlike their more classic counterparts, which act upon differential equations, these methods proceed by manipulating Poincare maps directly. This attribute makes them well matched for studying accelerators whose physics is most naturally modelled in terms of maps, an observation that has been championed most vigorously by Forest. In the following sections the author sketchs a little background, explains some of the physics underlying these techniques, and discusses the best computing strategy for implementing them in conjunction with modeling accelerators.

  19. Linear methods in band theory

    Andersen, O. Krogh

    1975-01-01

    of Korringa-Kohn-Rostoker, linear-combination-of-atomic-orbitals, and cellular methods; the secular matrix is linear in energy, the overlap integrals factorize as potential parameters and structure constants, the latter are canonical in the sense that they neither depend on the energy nor the cell volume...

  20. Ab initio study of mechanical and thermo-acoustic properties of tough ceramics: applications to HfO{sub 2} in its cubic and orthorhombic phase

    Ponce, C A [Departamento de Fisica, Facultad de Ciencias Exactas, y Naturales y Agrimensura, UNNE, Campus Universitario, Avenida Libertad 5600, CP 3400, Corrientes (Argentina); Casali, R A [Departamento de Fisica, Facultad de Ciencias Exactas, y Naturales y Agrimensura, UNNE, Campus Universitario, Avenida Libertad 5600, CP 3400, Corrientes (Argentina); Caravaca, M A [Departamento de Fisico, Quimica, Facultad de Ingenieria, UNNE, Avenida Las Heras 727, CP 3500, Resistencia (Argentina)

    2008-01-30

    By means of the ab initio all-electron new full-potential linear-muffin-tin orbitals method, calculations were made for elastic constants C{sub 11}, C{sub 12} and C{sub 44} for Si, ZrO{sub 2} and HfO{sub 2} in their cubic phase, and constants C{sub 11}, C{sub 22}, C{sub 33}, C{sub 12}, C{sub 13}, C{sub 23}, C{sub 44}, C{sub 55} and C{sub 66} for HfO{sub 2} in its orthorhombic phase. Using the Voigt and Reuss theory, estimations were made for polycrystals of their bulk, shear and Young moduli, and Poisson coefficients. The speed of elastic wave propagations and Debye temperatures were estimated for polycrystals built from Si and the above mentioned compounds. The semicore 4f{sup 14} electrons should be included in the valence set of Hf atom in this all-electron approach if accurate results for elastic properties under pressures are looked for.

  1. Spin-disorder resistivity of heavy rare-earth metals from Gd to Tm: An ab-initio study

    Glasbrenner, James; Belashchenko, Kirill

    2010-03-01

    Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin disorder scattering. In the paramagnetic state, this spin-disorder resistivity (SDR) decreases through the Gd-Tm series. Models based on the assumption of fully localized 4f states treated as S or J multiplets predict that SDR is proportional to S^2 (S is the 4f shell spin) times a quantum correction (S+1)/S or (J+1)/J. The interpretation of this correction using experimental results is ambiguous. Since the 4f bandwidth is not small compared to the multiplet splitting, it is not clear whether the 4f shells in rare-earth metals behave as if they were fully localized and have a good quantum number S or J. To address this issue, in this work we calculate the paramagnetic SDR of the rare-earth metal Gd-Tm series using a non-collinear implementation of the tight-binding linear muffin-tin orbital method. The conductance is found using the Landauer-B"uttiker approach applied to the active region of a varying size, averaging the conductance over random spin-disorder configurations and fitting its size dependence to Ohm's law. The results are compared with experiment and discussed. The sensitivity to basis set and the treatment of the 4f electrons, as well as the role of exchange enhancement in the conduction band is considered. The issue of the quantum correction is examined in light of the new results.

  2. Magnetic, transport and electronic structure properties of U2RuGa8

    Troc, R.; Bukowski, Z.; SuIkowski, C.; Morkowski, J.A.; Szajek, A.; CheIkowska, G.

    2005-01-01

    A single crystal of uranium ternary intermetallic of U 2 RuGa 8 was grown by the Ga self-flux method. This compound crystallizes in the tetragonal unit cell of space group P4/mmm. Despite the fairly large U-U shortest distance of 4.22A, this compound shows no signs of any magnetic ordering down to 1.9K. Instead, the susceptibility measured along the a and c axes, goes through a broad maximum at T max =220K showing a distinct anisotropy. For j||a there is a weak temperature dependence of the electrical resistivity with a large value of ρ 0 =117μΩcm, while for j||c the ρ(T) curve goes through a maximum at about 130K. The magnetoresistivity measured along two crystallographic directions is small and positive. The thermopower S for the two directions studied is positive and larger along the a-axis. It goes through a broad maximum at 175K reaching a value of 45μV/K. The electronic structure has been calculated by the tight-binding linear muffin-tin orbital method (TB-LMTO) and the results were used in calculation of the valence band near the Fermi level compared next to that found in photoemission experiment. The core 4f spectra are also presented. All the above properties are discussed in view of mixed valence behaviour of uranium atom in this compound

  3. Microscopic theory of magnetization processes in Y (Co sub 1 sub - sub x Al sub x) sub 2

    Khmelevskyi, S; Mohn, P

    2002-01-01

    Employing ab initio electronic structure calculations we study the development of the magnetic properties in Y (Co sub 1 sub - sub x Al sub x) sub 2 for varying Al concentration. The effect of substitutional disorder is treated in the coherent-potential approximation implemented within a tight-binding linear muffin-tin orbital method. The experimentally observed reduction of the critical field of the itinerant electron metamagnetic phase transition with increasing content of non-magnetic Al is explained. It is shown, on the basis of a T = 0 K Stoner type itinerant magnetism theory, that the alloying-induced changes in the shape of the calculated density of states, caused by the Al substitution, lead to (i) a stabilization of the magnetic state, (ii) a smoothening of the first-order metamagnetic transition and (iii) a subsequent suppression of the metamagnetic transition around x 0.15. Analysing the magnetization processes in Y (Co sub 1 sub - sub x Al sub x) sub 2 by varying the strength of the exchange inter...

  4. Structural, dynamical & electronic properties of CaCuO{sub 2}

    Agrawal, B.K.; Agrawal, S. [Allahabad Univ. (India)

    1994-12-31

    The scalar relativistic version of an accurate first principles full potential self- consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-Tc oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO-ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO-ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of pure CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(.86)Sr(.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it as the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.

  5. Several new phases in RE-Mg-Ge systems (RE = rare earth metal) - syntheses, structures, and chemical bonding

    Suen, Nian-Tzu; Bobev, Svilen

    2012-01-01

    Reported are the synthesis and structural characterization of Ce_5Mg_8Ge_8 (its own structure type), CeMg_2_-_xGe_2_+_x (BaAl_4-type structure), RE_4Mg_7Ge_6 (RE = Ce-Nd, Sm; La_4Mg_7Ge_6-type structure), and RE_4Mg_5Ge_6 (RE = Ce, Pr; Tm_4Zn_5Ge_6-type structure). The structures of these compounds have been established by single-crystal and powder X-ray diffraction. These compounds are closely related to each other not only in their chemical compositions but also in their structures. A common structural feature of all are MgGe_4 tetrahedra, which are connected by corner- and/or edge-sharing into complex polyanionic frameworks with the rare-earth metal atoms filling the ''empty'' space. The structures are compared to known types of structures, and we have investigated the chemical bonding in Ce_5Mg_8Ge_8 with electronic structure calculations, which were carried out by the tight-bonding linear muffin-tin orbital (TB-LMTO) method. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Structural phase stability of ThSb and ThAs under pressure

    Venkatasubramaniam, K.; Rajagopalan, M.; Palanivel, B.; Kalpana, G.

    1997-01-01

    The high-pressure behaviour of thorium monopnictides is of considerable interest as these systems exhibit structural phase transitions under pressure. At ambient conditions these compounds crystallize in the NaCl-type(B1) structure. Experiments show that with the application of pressure these compounds transform to the CsCl-type (B2) structure. ThSb and ThAs are found to exhibit B1-B2 transition in the pressure range between 9-12 GPa and 1826 GPa respectively. In this work, we present the electronic and high-pressure behaviour of ThAs and ThSb performed using the tight-binding linear muffin-tin orbital method. The total energies within the atomic sphere approximation were calculated as a function of volume for both the B1 and B2 structures. The total energy calculations reveal that both ThSb and ThAs are stable in the B1 structure at ambient conditions and undergo structural transition to the B2 structure at pressures 78 and 240 kbar respectively, which are in good agreement with the experimental values. The calculated values of equilibrium lattice parameter and the transition pressure are found to be in good agreement with the experimental results. (author)

  7. Structural and electronic properties of Er-monopnictides under high pressure

    Pandit, Premlata, E-mail: lataprem29@gmail.co [Department of Physics, Barkatullah University, Bhopal, Madhya Pradesh 462026 (India); Srivastava, Vipul [Department of Physics, Oriental Institute of Science and Technology, Thakral Nagar, Bhopal (India); Rajagopalan, M. [Crystal Growth Centre, Anna University, Chennai 600 025 (India); Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, Madhya Pradesh 462026 (India)

    2010-05-01

    We present the results of theoretical calculations on the structural, magnetic and electronic properties of Er-monopnictides using self-consistent first principles tight-binding linear-muffin-tin-orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Both spin-polarized and non-spin-polarized calculations are performed to check the magnetic stability of these compounds. We find that ErN, ErP and ErAs are metallic in ferromagnetic (FM) phase in both the spin channels and stable in NaCl-type (B{sub 1}) structure at ambient pressure. We predict NaCl-type (B{sub 1}) to CsCl-type (B{sub 2}) structural phase transition in ErN, ErP and ErAs at pressures of 146.1, 60.2 and 53.2 GPa, respectively and remain metallic ferromagnetic at high pressure. We calculate equilibrium lattice constants (a), bulk modulus (B), magnetic moments (mu{sub B}) and electronic properties of these compounds in B{sub 1} and B{sub 2} phases and compare with available experimental and theoretical results.

  8. Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

    Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

    2018-03-01

    We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

  9. Crystal structure and chemical bonding analysis of BaPtCd{sub 2}

    Gulo, Fakhili [Department of Chemical Education, Sriwijaya University, Inderalaya 30662, South Sumatra (Indonesia); Koehler, Juergen [Max Planck Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany)

    2015-03-15

    The new ternary intermetallic phase, BaPtCd{sub 2}, was synthesized by solid-state reaction from direct combination of the elements in a stoichiometric mixture. The reaction was done at 850 C for 15 h, followed by an equilibration at 600 C for 4 d. The crystal structure was determined by X-ray diffraction method on a single crystal. BaPtCd{sub 2} is isotypic to MgCuAl{sub 2} and crystallizes in the orthorhombic space group Cmcm [a = 4.467(2), b = 11.143(4), c = 8.240(3) Aa, V = 410.2(3) Aa{sup 3}, and Z = 4]. Barium atoms are linked together forming zigzag chains. Cadmium atoms are bonded to each other forming six-membered rings of platinum centered boat and anti-boat conformations. BaPtCd{sub 2} contains 16 electrons per formula unit and belongs to the electron poorest compounds with MgCuAl{sub 2} type structure. Calculations based on the linear muffin-tin orbitals method in the atomic spheres approximation show that significant bonding states in BaPtCd{sub 2} are unoccupied. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Angular forces and melting in bcc transition metals: A case study of molybdenum

    Moriarty, J.A.

    1994-01-01

    Both the multi-ion and effective pair potentials also permit a large amount of supercooling of the liquid before the onset of freezing. With v 2 eff a bcc structure is nucleated at freezing, while with the multi-ion potentials an amorphous glasslike structure is obtained, which appears to be related to the energetically competitive A15 structure. In our second approach to melting, the multi-ion potentials have been used to obtain accurate solid and liquid free energies from quasiharmonic lattice dynamics and MD calculations of thermal energies and pressures. The resulting ion-thermal melting curve exactly overlaps the dynamically observed melting point, indicating that no superheating of the solid occurred in our MD simulations. To obtain a full melting curve, electron-thermal contributions to the solid and liquid free energies are added in terms of the density of electronic states at the Fermi level, ρ(E F ). Here the density of states for the solid has been calculated with the linear-muffin-tin-orbital method, while for the liquid tight-binding calculations have been used to justify a simple model. In the liquid ρ(E F ) is increased dramatically over the bcc solid, and the net effect of the electron-thermal contributions is to lower the calculated melting temperatures by about a factor of 2. A full melting curve to 2 Mbar has thereby been obtained and the calculated melting properties near zero pressure are in generally good agreement with experiment

  11. Ab initio screening methodology applied to the search for new permanent magnetic materials

    Drebov, Nedko; Gumbsch, Peter; Elsässer, Christian; Martinez-Limia, Alberto; Kunz, Lothar; Gola, Adrien; Eckl, Thomas; Shigematsu, Takashi

    2013-01-01

    In this paper a computational high-throughput screening (HTS) approach to the search for alternative permanent magnetic materials is presented. Systems considered for a start are binary intermetallic compounds composed of rare-earth (RE) and transition metal (TM) elements. With the tight-binding-linear muffin-tin-orbital-atomic-sphere-approximation (TB-LMTO-ASA) method of density functional theory (DFT) a variety of RE–TM intermetallic phases is investigated and their magnetic properties are obtained at rather low computational costs. Next, interstitial elements such as boron, carbon and nitrogen in these phases are considered. For promising candidate phases with high and stable spontaneous ferromagnetic polarization, the calculated local magnetic moments and exchange coupling parameters, as obtained from TB-LMTO-ASA calculations, are then used for Monte Carlo simulations to identify candidates with sufficiently high Curie temperatures (T c ). Finally, magnetocrystalline anisotropy constants (K 1 ) of the most promising candidate phases are calculated with accurate, potential-shape-unrestricted DFT calculations using the Vienna ab initio simulation package. The computational HTS procedure is illustrated by results for a selection of hard-magnetic RE–TM phases like RETM 5 , RE 2 TM 17 and RE 2 TM 14 B. (paper)

  12. Structural and electronic properties of Er-monopnictides under high pressure

    Pandit, Premlata; Srivastava, Vipul; Rajagopalan, M.; Sanyal, Sankar P.

    2010-01-01

    We present the results of theoretical calculations on the structural, magnetic and electronic properties of Er-monopnictides using self-consistent first principles tight-binding linear-muffin-tin-orbital (TB-LMTO) method within the atomic-sphere approximation (ASA). Both spin-polarized and non-spin-polarized calculations are performed to check the magnetic stability of these compounds. We find that ErN, ErP and ErAs are metallic in ferromagnetic (FM) phase in both the spin channels and stable in NaCl-type (B 1 ) structure at ambient pressure. We predict NaCl-type (B 1 ) to CsCl-type (B 2 ) structural phase transition in ErN, ErP and ErAs at pressures of 146.1, 60.2 and 53.2 GPa, respectively and remain metallic ferromagnetic at high pressure. We calculate equilibrium lattice constants (a), bulk modulus (B), magnetic moments (μ B ) and electronic properties of these compounds in B 1 and B 2 phases and compare with available experimental and theoretical results.

  13. Band structure of the quaternary Heusler alloys ScMnFeSn and ScFeCoAl

    Shanthi, N.; Teja, Y. N.; Shaji, Shephine M.; Hosamani, Shashikala; Divya, H. S.

    2018-04-01

    In our quest for materials with specific applications, a theoretical study plays an important role in predicting the properties of compounds. Heusler alloys or compounds are the most studied in this context. More recently, a lot of quaternary Heusler compounds are investigated for potential applications in fields like Spintronics. We report here our preliminary study of the alloys ScMnFeSn and ScFeCoAl, using the ab-initio linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The alloy ScMnFeSn shows perfect half-metallicity, namely, one of the spins shows a metallic behaviour and the other spin shows semi-conducting behaviour. Such materials find application in devices such as the spin-transfer torque random access memory (STT-MRAM). In addition, the alloy ScMnFeSn is found to have an integral magnetic moment of 4 µB, as predicted by the Slater-Pauling rule. The alloy ScFeCoAl does not show half-metallicity.

  14. Structural phase transition and electronic properties in samarium chalcogenides

    Panwar, Y. S., E-mail: yspanwar2011@gmail.com [Department of Physics, Govt. New Science College Dewas-455001 (India); Aynyas, Mahendra [Department of Physics, C.S.A. Govt. P.G. College, Sehore, 466001 (India); Pataiya, J.; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Bhopal, 462026 (India)

    2016-05-06

    The electronic structure and high pressure properties of samarium monochalcogenides SmS, SmSe and SmTe have been reported by using tight binding linear muffin-tin-orbital (TB-LMTO) method within the local density approximation (LDA). The total energy as a function of volume is evaluated. It is found that these monochalcogenides are stable in NaCl-type structure under ambient pressure. We predict a structural phase transition from NaCl-type (B{sub 1}-phase) structure to CsCl-type (B{sub 2}-type) structure for these compounds. Phase transition pressures were found to be 1.7, 4.4 and 6.6 GPa, for SmS, SmSe and SmTe respectively. Apart from this, the lattice parameter (a{sub 0}), bulk modulus (B{sub 0}), band structure (BS) and density of states (DOS) are calculated. From energy band diagram we observed that these compounds exhibit metallic character. The calculated values of equilibrium lattice parameter and phase transition pressure are in general good agreement with available data.

  15. Structural and elastic properties of Ni2+xMn1-xGa alloys

    Ghosh, Subhradip; Vitos, Levente; Sanyal, Biplab

    2011-01-01

    The structural parameters and the energetics of the Ni 2+x Mn 1-x Ga alloys have been investigated by the first-principles Exact Muffin Tin Orbital-Coherent Potential Approximation (EMTO-CPA) for 0.10 m . The qualitative behavior of δE with variation of x has been found to be in agreement with the experimentally observed variation of T m with x. The elastic constants for the entire range of x have also been calculated and the determination of a relationship between δE and the elastic shear modulus has been attempted. It is seen that δE varies linearly with elastic shear modulus C', qualitatively similar to the relation between T m and C'. The energetics calculated with the EMTO method agrees quite well with the all-electron full-potential results ensuring the accuracy of the method. These results show that the EMTO-CPA method is one of the most reliable and accurate first-principles methods, in the context of off-stoichiometric alloys which undergo martensitic phase transformations.

  16. Effects of temperature and pressure on thermodynamic properties of Cd0.50 Zn0.50 Se alloy

    Aarifeen, Najm ul; Afaq, A.

    2017-09-01

    Thermodynamic properties of \\text{C}{{\\text{d}}0.50} \\text{Z}{{\\text{n}}0.50} Se alloy are studied using quasi harmonic model for pressure range 0-10 GPa and temperature range 0-1000 K. The structural optimization is obtained by self consistent field calculations and full-potential linear muffin-tin orbital method with GGA+U as an exchange correlation functional where U=2.3427 eV is the hubbard potential. The effects of temperature and pressure on the bulk modulus, Helmholtz free energy, internal energy, entropy, Debye temperature, Grüneisen parameter, thermal expansion coefficient and heat capacities of the material are observed and discussed. The bulk modulus, Helmholtz free energy and Debye temperature are found to decrease with increasing temperature while there is an increasing behavior when the pressure rises. Whereas internal energy has increasing trend with rises in temperature and it almost remains insensitive to pressure. The entropy of the system increases (decreases) with a rise of pressure (temperature).

  17. First principles electronic and thermal properties of some AlRE intermetallics

    Srivastava, Vipul; Sanyal, Sankar P.; Rajagopalan, M.

    2008-10-01

    A study on structural and electronic properties of non-magnetic cubic B 2-type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grüneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grüneisen model and compared with the others’ theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics.

  18. First principles electronic and thermal properties of some AlRE intermetallics

    Srivastava, Vipul [Department of Physics, Barkatullah University, Hoshangabad Road, Bhopal, Madhya Pradesh 462 026 (India)], E-mail: vips73@yahoo.com; Sanyal, Sankar P. [Department of Physics, Barkatullah University, Hoshangabad Road, Bhopal, Madhya Pradesh 462 026 (India); Rajagopalan, M. [Department of Physics, Anna University, Chennai-600 025 (India)

    2008-10-01

    A study on structural and electronic properties of non-magnetic cubic B{sub 2}-type AlRE (RE=Sc, Y, La, Ce, Pr and Lu) intermetallics has been done theoretically. The self-consistent tight binding linear muffin tin orbital method is used to describe the electronic properties of these intermetallics at ambient and at high pressure. These compounds show metallic behavior under ambient conditions. The variation of density of states under compression indicates some possibility of structural phase transformation in AlLa, AlCe and AlPr. Thermal properties like Debye temperature and Grueneisen constant are calculated at T=0 K and at ambient pressure within the Debye-Grueneisen model and compared with the others' theoretical results. Our results are in good agreement. We have also performed a pressure-induced variation of Debye temperature and have found a decrease in Debye temperature around 40 kbar in AlRE (RE=La, Ce, Pr) intermetallics.

  19. Theoretical studies of defects in insulators within the framework of the local density approximation

    Pederson, M.R.; Klein, B.M.

    1989-01-01

    The muffin-tin Green's function method and a linear combination of atomic orbitals cluster method for defect studies are discussed. These methods have been used to carry out calculations on F-like centers in MgO, CaO and LiF. Although the local density approximation leads to qualitatively correct information pertaining to the occupied states, in addition to the usual perfect-crystal band gap problem, the unoccupied defect levels are found to lie above the onset of the conducting band, in disagreement with the experimental measurements. Results using two methods for incorporating many-electron corrections into an LDA-like computational algorithm are discussed. These methods are the 'scissor-operator' approach to the band gap problem, and the self-interaction-correction (SIC) framework for improving the local spin density approximation. SIC results for the defect excitation spectra are in very good agreement with experiment. This method, when fully developed, should give an excellent ab initio description of defects in insulators. (author) 29 refs., 3 figs., 1 tab

  20. Toward a better understanding of the magnetocaloric effect: An experimental and theoretical study of MnFe{sub 4}Si{sub 3}

    Gourdon, Olivier, E-mail: gourdono@lanl.gov [Los Alamos Neutron Scattering Center, National Laboratory, Los Alamos, NM 87545 (United States); Gottschlich, Michael; Persson, Joerg [Jülich Center for Neutron Science JCNS-2 and Peter Grünberg Institut PGI-4, JARA-FIT, Forschungszentrum Jülich 52425 Jülich (Germany); Cruz, Clarina de la [Quantum Condensed Matter Division, Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Petricek, Vaclav [Institute of Physics ASCR v.v.i., Na Slovance 2, 182 21 Prague (Czech Republic); McGuire, Michael A. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Brückel, Thomas [Jülich Center for Neutron Science JCNS-2 and Peter Grünberg Institut PGI-4, JARA-FIT, Forschungszentrum Jülich 52425 Jülich (Germany)

    2014-08-15

    The intermetallic compound MnFe{sub 4}Si{sub 3} has been studied by high-resolution Time of Flight (TOF) neutron powder diffraction. MnFe{sub 4}Si{sub 3} crystallizes in the hexagonal space group P6{sub 3}/mcm with lattice constants of a=b=6.8043(4) Å and c=4.7254(2) Å at 310 K. Magnetic susceptibility measurements show clearly the magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. Magnetic structure refinements based on neutron powder diffraction data with and without external magnetic field reveal strong evidence on the origin of the large magnetocaloric effect (MCE) in this material as a partial reordering of the spins between ∼270 K and 300 K. In addition, electronic structure calculations using the self-consistent, spin-polarized Tight Binding-Linear MuffinTin Orbital (TB-LMTO) method were also accomplished to address the “coloring problem” (Mn/Fe site preference) as well as the unique ferromagnetic behavior of this intermetallic compound. - Graphical abstract: Theoretical and experimental reinvestigation of the magnetic structure of MnFe{sub 4}Si{sub 3} for a better understanding of its large magnetocaloric effect (MCE). - Highlights: • Strong magnetic transition from paramagnetism to ferromagnetism at about 302(2) K. • MCE associated to a partial reordering of the spins between ∼270 K and 300 K. • DFT calculations show strong relation between MCE and spintronic materials.

  1. Li{sub 12}Cu{sub 12.60}Al{sub 14.37}. A new ternary derivative of the binary Laves phases

    Pavlyuk, Volodymyr [Ivan Franko Lviv National Univ. (Ukraine). Dept. of Inorganic Chemistry; Jan Dlugosz Univ., Czestochowa (Poland). Inst. of Chemistry, Environment Protection and Biotechnology; Dmytriv, Grygoriy; Tarasiuk, Ivan [Ivan Franko Lviv National Univ. (Ukraine). Dept. of Inorganic Chemistry; Chumak, Ihor [IFW Dresden (Germany); Ehrenberg, Helmut [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany). Inorganic Chemistry

    2011-12-15

    New ternary dodecalithium dodecacopper tetradecaaluminium, Li{sub 12}Cu{sub 12.60}Al{sub 14.37} (trigonal, R anti 3m, hR39), crystallizes as a new structure type and belongs to the structural family that derives from binary Laves phases. The Li atoms are enclosed in 15- and 16-vertex and the Al3 atom in 14-vertex pseudo-Frank-Kasper polyhedra. The polyhedra around the statistical mixtures of (Cu,Al)1 and (Al,Cu)2 are distorted icosahedra. The electronic structure was calculated by the TB- LMTO-ASA (tight-binding linear muffin-tin orbital atomic spheres approximation) method. The electron localization function, which indicates bond formation, is mostly located at the Al atoms. Thus, Al-Al bonding is much stronger than Li-Al or Cu-Al bonding. This indicates that, besides metallic bonding which is dominant in this compound, weak covalent Al-Al interactions also exist. (orig.)

  2. Positron confinement in embedded lithium nanoclusters

    van Huis, M. A.; van Veen, A.; Schut, H.; Falub, C. V.; Eijt, S. W.; Mijnarends, P. E.; Kuriplach, J.

    2002-02-01

    Quantum confinement of positrons in nanoclusters offers the opportunity to obtain detailed information on the electronic structure of nanoclusters by application of positron annihilation spectroscopy techniques. In this work, positron confinement is investigated in lithium nanoclusters embedded in monocrystalline MgO. These nanoclusters were created by means of ion implantation and subsequent annealing. It was found from the results of Doppler broadening positron beam analysis that approximately 92% of the implanted positrons annihilate in lithium nanoclusters rather than in the embedding MgO, while the local fraction of lithium at the implantation depth is only 1.3 at. %. The results of two-dimensional angular correlation of annihilation radiation confirm the presence of crystalline bulk lithium. The confinement of positrons is ascribed to the difference in positron affinity between lithium and MgO. The nanocluster acts as a potential well for positrons, where the depth of the potential well is equal to the difference in the positron affinities of lithium and MgO. These affinities were calculated using the linear muffin-tin orbital atomic sphere approximation method. This yields a positronic potential step at the MgO||Li interface of 1.8 eV using the generalized gradient approximation and 2.8 eV using the insulator model.

  3. Valence electronic structure of Ni in Ni Si alloys from relative K X-ray intensity studies

    Kalayci, Y.; Aydinuraz, A.; Tugluoglu, B.; Mutlu, R. H.

    2007-02-01

    The Kβ-to-Kα X-ray intensity ratio of Ni in Ni 3Si, Ni 2Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni 2Si and then increases from Ni 2Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

  4. Theoretical investigation of spin-filtering in CrAs/GaAs heterostructures

    Stickler, B. A.; Ertler, C.; Pötz, W.; Chioncel, L.

    2013-01-01

    The electronic structure of bulk zinc-blende GaAs, zinc-blende and tetragonal CrAs, and CrAs/GaAs supercells, computed within linear muffin-tin orbital (LMTO) local spin-density functional theory, is used to extract the band alignment for the [1,0,0] GaAs/CrAs interface in dependence of the spin orientation. With the lateral lattice constant fixed to the experimental bulk GaAs value, a local energy minimum is found for a tetragonal CrAs unit cell with a longitudinal ([1,0,0]) lattice constant reduced by ≈2%. Due to the identified spin-dependent band alignment, half-metallicity of CrAs no longer is a key requirement for spin-filtering. Based on these findings, we study the spin-dependent tunneling current in [1,0,0] GaAs/CrAs/GaAs heterostructures within the non-equilibrium Green's function approach for an effective tight-binding Hamiltonian derived from the LMTO electronic structure. Results indicate that these heterostructures are promising candidates for efficient room-temperature all-semiconductor spin-filtering devices

  5. Electronic structure and phase equilibria in ternary substitutional alloys

    Traiber, A.J.S.; Allen, S.M.; Waterstrat, R.M.

    1996-01-01

    A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate abinitio calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr 0.5 (Ru, Pd) 0.5

  6. A first principle study of phase stability, electronic structure and magnetic properties for Co{sub 2−x}Cr{sub x}MnAl Heusler alloys

    Rached, H. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière, (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); Abidri, B.; Rabah, M.; Benkhettou, N. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Omran, S. Bin [Department of Physics and Astronomy, College of Science, King Saud University, P.O.Box 2455, Riyadh 11451 (Saudi Arabia)

    2015-04-01

    The structural stabilities, electronic and magnetic properties of Co{sub 2−x}Cr{sub x}MnAl alloys with (x=0,1 and 2) were investigated using the full-potential linear muffin-tin orbital (FP-LMTO) method, in the framework of the density functional theory (DFT) within the generalized gradient approximation (GGA) for the exchange correlation functional. The ground state properties including lattice parameter, bulk modulus for the two considered crystal structures Hg{sub 2}CuTi-Type (X-Type) and Cu{sub 2}MnAl-Type (L2{sub 1}-Type) are calculated. The half-metallicity within ferromagnetic ground state starts to appear in CoCrMnAl and Cr2MnAl. In the objective for the proposition of the new HM-FM in the Full-Heusler alloys, our results classified CoCrMnAl as new HM-FM material with high spin polarization. - Highlights: • Based on DFT calculations, Co2-xCrxMnAl Heusler alloys have been investigated. • The magnetic phase stability was determined from the total energy calculations. • The LMTO calculations have classified CoCrMnAl as new HM-FM material with high spin polarization.

  7. Theoretical study of structures of Ga{sub 5}N{sub 5} cluster

    Song Bin; Cao Peilin

    2002-12-23

    The structures and energies of a Ga{sub 5}N{sub 5} cluster have been calculated using a full-potential linear-muffin-tin-orbital (FP-LMTO) method, combined with molecular dynamics technique. Twenty-four structures for a Ga{sub 5}N{sub 5} cluster have been obtained. The most stable structure is a C{sub 1} planar structure with a N{sub 3} subunit. The Ga{sub 5}N{sub 5} clusters show a preference for a N{sub 3} subunit, revealing the same behavior as in the Ga{sub 3}N{sub 3} and Ga{sub 4}N{sub 4} clusters. The existence of strong N-N bonds dominates the structure of a Ga{sub 5}N{sub 5} cluster. Through the calculation of the density of states we found that the most stable structure of Ga{sub 5}N{sub 5} clusters presented semiconductor-like properties.

  8. Electronic structure investigation of oxidized aluminium films with electron momentum spectroscopy

    Guo, X.; Canney, S.; Kheifets, A.S.; Vos, M.; Fang, Z.; Utteridge, S.; McCarthy, I.E.; Weigold, E.

    1996-09-01

    Electron momentum spectroscopy (EMS) of (e, 2e) measurements with oxidized aluminium thin films have been performed. Due to the surface sensitive mature of the EMS spectrometer employed the measured (e, 2e) events come from the front oxidized layer as viewed by the electron detectors. The measurements show clearly two major features in the spectral momentum density distribution and they are related to the upper valence band and the lower valence band of aluminum oxide. The first is a 'dual parabola' energy-momentum dispersion pattern spanning about 8 eV in the upper valence band. This 'dual parabola' pattern has been qualitatively reproduced by a linear muffin-tin orbital (LMTO) calculation on spherically averaged α-A1 2 O 3 with nearly the same energy span. In the lower valence band, the LMTO calculation indicates a dispersion spanning about 5 eV, and the measured spectral momentum density plot shows a similar 'bowl' shape but with less dispersion. The possible causes which blur the dispersion in the lower valence band are discussed. Other features in the spectral momentum density distribution are also discussed and compared with the LMTO calculation. 45 refs., 1 tab., 10 figs

  9. Ab-initio electronic band structure calculations for beryllium chalcogenides

    Kalpana, G.; Pari, G.; Yousuf, Mohammad

    1997-01-01

    The first principle tight-binding linear muffin-tin orbital method within the local density approximation (LDA) has been used to calculate the ground state properties, structural phase transition and pressure dependence of band gap of BeS, BeSe and BeTe. We have calculated the energy-volume relations for these compounds in the B3 and B8 phases. The calculated lattice parameters, bulk modulus and the pressure-volume relation were found to be in good agreement with the recent experimental results. The calculated B3→B8 structural transition pressure for BeS, BeSe and BeTe agree well with the recent experimental results. Our calculations show that these compounds are indirect band gap (Γ-X) semiconductors at ambient conditions. The calculated band gap values are found to be underestimated by 20-30% which is due to the usage of LDA. After the structural transition to the B8 phase, BeS continues to be indirect band gap semiconductors and ultimately above 100 GPa it metallises, BeSe and BeTe are metallic at the B3→B8 structural transition. (author)

  10. Surface shift of the occupied and unoccupied 4f levels of the rare-earth metals

    Aldén, M.; Johansson, B.; Skriver, H. L.

    1995-02-01

    The surface energy shifts of the occupied and unoccupied 4f levels for the lanthanide metals have been calculated from first principles by means of a Green's-function technique within the tight-binding linear muffin-tin orbitals method. We use the concept of complete screening to identify the occupied and unoccupied 4f energy level shifts as the surface segregation energy of a 4fn-1 and 4fn+1 impurity atom, respectively, in a 4fn host metal. The calculations include both initial- and final-state effects and give values that are considerably lower than those measured on polycrystalline samples as well as those found in previous initial-state model calculations. The present theory agrees well with very recent high-resolution, single-crystal film measurements for Gd, Tb, Dy, Ho, Er, Tm, and Lu. We furthermore utilize the unique possibility offered by the lanthanide metals to clarify the roles played by the initial and the different final states of the core-excitation process, permitted by the fact that the so-called initial-state effect is identical upon 4f removal and 4f addition. Surface energy and work function calculations are also reported.

  11. Thermoelasticity at High Temperatures and Pressures for Ta

    Orlikowski, D; Soderlind, P; Moriarty, J A

    2004-01-01

    A new methodology for calculating high temperature and pressure elastic moduli in metals has been developed accounting for both the electron-thermal and ion-thermal contributions. Anharmonic and quasi-harmonic thermoelasticity for bcc tantalum have thereby been calculated and compared as a function of temperature (<12,000 K) and pressure (<10 Mbar). In this approach, the full potential linear muffin-tin orbital (FP-LMTO) method for the cold and electron-thermal contributions is closely coupled with ion-thermal contributions obtained via multi-ion, quantum-based interatomic potentials derived from model generalized pseudopotential theory (MGPT). For the later contributions two separate approaches are used. In one approach, the quasi-harmonic ion-thermal contribution is obtained through a Brillouin zone sum of the strain derivatives of the phonons, and in the other the anharmonic ion-thermal contribution is obtained directly through Monte Carlo (MC) canonical distribution averages of strain derivatives on the multi-ion potentials themselves. The resulting elastic moduli compare well in each method and to available ultrasonic measurements and diamond-anvil-cell compression experiments indicating minimal anharmonic effects in bcc tantalum over the considered pressure range

  12. Electronic and optical properties of defect CdIn_2Te_4 chalcopyrite semiconductor: A first principle approach

    Mishra, S.; Ganguli, B.

    2016-01-01

    We present detailed study of structural, electronic and optical properties of CdIn_2Te_4 compound. The calculations are carried out using Density Functional theory based Tight Binding Linear Muffin Tin Orbital method. The compound is found to be direct band gap semiconductor with a band gap of 1.03 eV. The band gap is within the limit of LDA underestimation. The calculated structural parameters agree well with the available experimental values. We find a decrements of 9.6% in band gap and significant effects on overall electronic and optical properties due to structural distortions. These effects on optical properties come mainly from the change in transition probability. An-isotropic nature of optical properties get enhanced due to structural distortion. The Calculated real & imaginary parts of dielectric constant and static dielectric constant agree well with the available experimental result. - Highlights: • We present ab-initio calculations of electronic & optical properties of CdIn_2Te_4. • Band gap get reduced by 9.6% due to structural distortion. • Structural distortion has significant effects on optical properties. • Anisotropic nature of optical response functions get enhanced by structural distortion. • Calculated dielectric constant agrees with experimental value.

  13. Electronic structure of PrBa2Cu3O7: A local-spin-density approximation with on-site Coulomb interaction

    Biagini, M.; Calandra, C.; Ossicini, S.

    1995-01-01

    Electronic structure calculations based on the local-spin-density approximation (LSDA) fail to reproduce the antiferromagnetic ground state of PrBa 2 Cu 3 O 7 (PBCO). We have performed linear muffin-tin orbital--atomic sphere approximation calculations, based on the local-spin-density approximation with on-site Coulomb correlation applied to Cu(1) and Cu(2) 3d states. We have found that inclusion of the on-site Coulomb interaction modifies qualitatively the electronic structure of PBCO with respect to the LSDA results, and gives Cu spin moments in good agreement with the experimental values. The Cu(2) upper Hubbard band lies about 1 eV above the Fermi energy, indicating a Cu II oxidation state. On the other hand, the Cu(1) upper Hubbard band is located across the Fermi level, which implies an intermediate oxidation state for the Cu(1) ion, between Cu I and Cu II . The metallic character of the CuO chains is preserved, in agreement with optical reflectivity [K. Takenaka et al., Phys. Rev. B 46, 5833 (1992)] and positron annihilation experiments [L. Hoffmann et al., Phys. Rev. Lett. 71, 4047 (1993)]. These results support the view of an extrinsic origin of the insulating character of PrBa 2 Cu 3 O 7

  14. Theoretical investigation of the Fermi surfaces of La2-xSrxCuO4 and YBa2Cu3O7

    Antonov, V.N.; Antonov, Vl.N.; Bar'yakhtar, V.G.; Baglyuk, A.I.; Maksimov, E.G.; Nemoshkalenko, V.V.; Perlov, A.Ya.; Savrasov, S.Yu.; Uspenskii, Yu.A.

    1989-01-01

    A theoretical investigation is made of the shape of the Fermi surface and of the constant-energy surfaces near the Fermi energy of the La 2-x Sr x CuO 4 and YBa 2 Cu 3 O 7 oxides by a self-consistent linear muffin-tin orbital method in the atomic sphere approximation (OMTO-ASA). It is shown that the Fermi surfaces of these compounds are strongly two-dimensional. The Fermi surface of La 2-x Sr x CuO 4 is a corrugated rounded box centered at the point Λ. The Fermi surface of YBa 2 Cu 3 O 7 consists of four sheets: an electron cushion at the point Λ and three nested hole surfaces centered at the point S. The electron cushion and one of the hole surfaces are strongly corrugated along the z direction. The theoretically calculated Fermi surfaces of La 2 CuO 4 and YBa 2 Cu 3 O 7 are compared with the experimental data on electron-positron annihilation

  15. Optical and magneto-optical properties of single crystals of RFe{sub 2} (R = Gd, Tb, Ho, and Lu) and GdCo{sub 2} intermetallic compounds

    Lee, S.J.

    1999-02-12

    The author has studied the diagonal and off-diagonal optical conductivity of RFe{sub 2}(R = Gd, Tb, Ho, Lu) and GdCo{sub 2} single crystals grown by the flux method. Using spectroscopic ellipsometry the author has measured the dielectric function from 1.5 to 5.5 eV. The magneto-optical Kerr spectrometer at temperatures between 7 and 295 K and applied magnetic fields between 0.5 to 1.6 T. The apparatus and calibration method are described in detail. Using magneto-optical data and optical constants he derives the experimental value of the off-diagonal conductivity components. Theoretical calculations of optical conductivities and magneto-optical parameters were performed using the tight binding-linear muffin tin orbitals method within the local spin density approximation. He applied this TB-LMTO method to LuFe{sub 2}. The theoretical results obtained agree well with the experimental data. The oxidation effects on the diagonal part of the optical conductivity were considered using a three-phase model. The oxidation effects on the magneto-optical parameters were also considered by treating the oxide layer as a nonmagnetic thin transparent layer. These corrections change not only the magnitude but also the shape of the optical conductivity and the magneto-optical parameters.

  16. A hybrid numerical method for orbit correction

    White, G.; Himel, T.; Shoaee, H.

    1997-09-01

    The authors describe a simple hybrid numerical method for beam orbit correction in particle accelerators. The method overcomes both degeneracy in the linear system being solved and respects boundaries on the solution. It uses the Singular Value Decomposition (SVD) to find and remove the null-space in the system, followed by a bounded Linear Least Squares analysis of the remaining recast problem. It was developed for correcting orbit and dispersion in the B-factory rings

  17. Linear algebra

    Shilov, Georgi E

    1977-01-01

    Covers determinants, linear spaces, systems of linear equations, linear functions of a vector argument, coordinate transformations, the canonical form of the matrix of a linear operator, bilinear and quadratic forms, Euclidean spaces, unitary spaces, quadratic forms in Euclidean and unitary spaces, finite-dimensional space. Problems with hints and answers.

  18. ERS orbit control

    Rosengren, Mats

    1991-12-01

    The European remote sensing mission orbit control is addressed. For the commissioning phase, the orbit is defined by the following requirements: Sun synchronous, local time of descending node 10:30; three days repeat cycle with 43 orbital revolutions; overhead Venice tower (12.508206 deg east, 45.314222 deg north). The launch, maneuvers for the initial acquisition of the operational orbit, orbit maintenance maneuvers, evaluation of the orbit control, and the drift of the inclination are summarized.

  19. Periodic orbits around areostationary points in the Martian gravity field

    Liu Xiaodong; Baoyin Hexi; Ma Xingrui

    2012-01-01

    This study investigates the problem of areostationary orbits around Mars in three-dimensional space. Areostationary orbits are expected to be used to establish a future telecommunication network for the exploration of Mars. However, no artificial satellites have been placed in these orbits thus far. The characteristics of the Martian gravity field are presented, and areostationary points and their linear stability are calculated. By taking linearized solutions in the planar case as the initial guesses and utilizing the Levenberg-Marquardt method, families of periodic orbits around areostationary points are shown to exist. Short-period orbits and long-period orbits are found around linearly stable areostationary points, but only short-period orbits are found around unstable areostationary points. Vertical periodic orbits around both linearly stable and unstable areostationary points are also examined. Satellites in these periodic orbits could depart from areostationary points by a few degrees in longitude, which would facilitate observation of the Martian topography. Based on the eigenvalues of the monodromy matrix, the evolution of the stability index of periodic orbits is determined. Finally, heteroclinic orbits connecting the two unstable areostationary points are found, providing the possibility for orbital transfer with minimal energy consumption.

  20. Nucleon molecular orbitals and the transition mechanism between molecular orbitals in nucleus-nucleus collisions

    Imanishi, B.; Misono, S.; von Oertzen, W.; Voit, H.

    1988-08-01

    The molecular orbitals of the nucleon(s) in nucleus-nucleus collisions are dynamically defined as a linear combination of nucleon single-particle orbits (LCNO) in a rotating frame by using the coupled-reaction-channel (CRC) theory. Nucleon molecular orbitals and the promotions of nucleon, - especially due to the Landau-Zener radial coupling are discussed with the method above mentioned. (author)

  1. Theory of orbital magnetoelectric response

    Malashevich, Andrei; Souza, Ivo; Coh, Sinisa; Vanderbilt, David

    2010-01-01

    We extend the recently developed theory of bulk orbital magnetization to finite electric fields, and use it to calculate the orbital magnetoelectric (ME) response of periodic insulators. Working in the independent-particle framework, we find that the finite-field orbital magnetization can be written as a sum of three gauge-invariant contributions, one of which has no counterpart at zero field. The extra contribution is collinear with and explicitly dependent on the electric field. The expression for the orbital magnetization is suitable for first-principles implementations, allowing one to calculate the ME response coefficients by numerical differentiation. Alternatively, perturbation-theory techniques may be used, and for that purpose we derive an expression directly for the linear ME tensor by taking the first field-derivative analytically. Two types of terms are obtained. One, the 'Chern-Simons' term, depends only on the unperturbed occupied orbitals and is purely isotropic. The other, 'Kubo' terms, involve the first-order change in the orbitals and give isotropic as well as anisotropic contributions to the response. In ordinary ME insulators all terms are generally present, while in strong Z 2 topological insulators only the Chern-Simons term is allowed, and is quantized. In order to validate the theory, we have calculated under periodic boundary conditions the linear ME susceptibility for a 3D tight-binding model of an ordinary ME insulator, using both the finite-field and perturbation-theory expressions. The results are in excellent agreement with calculations on bounded samples.

  2. Validation of Galileo orbits using SLR with a focus on satellites launched into incorrect orbital planes

    Sośnica, Krzysztof; Prange, Lars; Kaźmierski, Kamil; Bury, Grzegorz; Drożdżewski, Mateusz; Zajdel, Radosław; Hadas, Tomasz

    2018-02-01

    The space segment of the European Global Navigation Satellite System (GNSS) Galileo consists of In-Orbit Validation (IOV) and Full Operational Capability (FOC) spacecraft. The first pair of FOC satellites was launched into an incorrect, highly eccentric orbital plane with a lower than nominal inclination angle. All Galileo satellites are equipped with satellite laser ranging (SLR) retroreflectors which allow, for example, for the assessment of the orbit quality or for the SLR-GNSS co-location in space. The number of SLR observations to Galileo satellites has been continuously increasing thanks to a series of intensive campaigns devoted to SLR tracking of GNSS satellites initiated by the International Laser Ranging Service. This paper assesses systematic effects and quality of Galileo orbits using SLR data with a main focus on Galileo satellites launched into incorrect orbits. We compare the SLR observations with respect to microwave-based Galileo orbits generated by the Center for Orbit Determination in Europe (CODE) in the framework of the International GNSS Service Multi-GNSS Experiment for the period 2014.0-2016.5. We analyze the SLR signature effect, which is characterized by the dependency of SLR residuals with respect to various incidence angles of laser beams for stations equipped with single-photon and multi-photon detectors. Surprisingly, the CODE orbit quality of satellites in the incorrect orbital planes is not worse than that of nominal FOC and IOV orbits. The RMS of SLR residuals is even lower by 5.0 and 1.5 mm for satellites in the incorrect orbital planes than for FOC and IOV satellites, respectively. The mean SLR offsets equal -44.9, -35.0, and -22.4 mm for IOV, FOC, and satellites in the incorrect orbital plane. Finally, we found that the empirical orbit models, which were originally designed for precise orbit determination of GNSS satellites in circular orbits, provide fully appropriate results also for highly eccentric orbits with variable linear

  3. CONGENITAL ORBITAL TERATOMA

    was done without contrast and 3mm/5mm/10mm slices were obtained to cover the orbit, skull base and brain. The findings included a soft tissue mass arising from the orbit. The left eye ball was extra orbital. There was no defect .... love's Short Practice of Surgery. 7 Edition,. Levis London, 1997; 45-64. 2. Orbital tumor Part 1, ...

  4. Radiovolumetry of the orbit

    Abujamra, S.

    1983-01-01

    The authors present a method called ''Radiovolumetry of the orbit'' that permits the evaluation of the orbital volume from anteroposterior skull X-Rays (CALDWELL 30 0 position). The research was based in the determination of the orbital volume with lead spheres, in 1010 orbits of 505 dry skulls of Anatomy Museums. After the dry skulls was X-rayed six frontal orbital diameters were made, with care to correct the radiographic amplification. PEARSON correlation coeficient test was applied between the mean orbital diameter and the orbital volume. The result was r = 0,8 with P [pt

  5. Linear gate

    Suwono.

    1978-01-01

    A linear gate providing a variable gate duration from 0,40μsec to 4μsec was developed. The electronic circuity consists of a linear circuit and an enable circuit. The input signal can be either unipolar or bipolar. If the input signal is bipolar, the negative portion will be filtered. The operation of the linear gate is controlled by the application of a positive enable pulse. (author)

  6. Linear Accelerators

    Vretenar, M

    2014-01-01

    The main features of radio-frequency linear accelerators are introduced, reviewing the different types of accelerating structures and presenting the main characteristics aspects of linac beam dynamics

  7. Linearization Method and Linear Complexity

    Tanaka, Hidema

    We focus on the relationship between the linearization method and linear complexity and show that the linearization method is another effective technique for calculating linear complexity. We analyze its effectiveness by comparing with the logic circuit method. We compare the relevant conditions and necessary computational cost with those of the Berlekamp-Massey algorithm and the Games-Chan algorithm. The significant property of a linearization method is that it needs no output sequence from a pseudo-random number generator (PRNG) because it calculates linear complexity using the algebraic expression of its algorithm. When a PRNG has n [bit] stages (registers or internal states), the necessary computational cost is smaller than O(2n). On the other hand, the Berlekamp-Massey algorithm needs O(N2) where N(≅2n) denotes period. Since existing methods calculate using the output sequence, an initial value of PRNG influences a resultant value of linear complexity. Therefore, a linear complexity is generally given as an estimate value. On the other hand, a linearization method calculates from an algorithm of PRNG, it can determine the lower bound of linear complexity.

  8. Linear algebra

    Said-Houari, Belkacem

    2017-01-01

    This self-contained, clearly written textbook on linear algebra is easily accessible for students. It begins with the simple linear equation and generalizes several notions from this equation for the system of linear equations and introduces the main ideas using matrices. It then offers a detailed chapter on determinants and introduces the main ideas with detailed proofs. The third chapter introduces the Euclidean spaces using very simple geometric ideas and discusses various major inequalities and identities. These ideas offer a solid basis for understanding general Hilbert spaces in functional analysis. The following two chapters address general vector spaces, including some rigorous proofs to all the main results, and linear transformation: areas that are ignored or are poorly explained in many textbooks. Chapter 6 introduces the idea of matrices using linear transformation, which is easier to understand than the usual theory of matrices approach. The final two chapters are more advanced, introducing t...

  9. Proton channeling in Au at low energies; Canalizacion de protones en Au a bajas energias

    Valdes, J E; Vargas, P [Chile Univ., Santiago (Chile). Dept. de Fisica

    1997-12-31

    The electronic energy loss for low velocity protons channeled in the <100> direction single crystal Au is calculated. The spatial distribution of valence electronic density in Au is calculated using Tight Binding Linear Muffin Tin Method. The proton trajectories are determined by numerical integration of the classical motion equation, and the energy loss is evaluated using the calculated valence electronic density in the friction term. The results allow to describe qualitatively the non linear behavior of energy loss with ion velocity observed experimentally. (author). 14 refs., 4 figs.

  10. Methods of orbit correction system optimization

    Chao, Yu-Chiu.

    1997-01-01

    Extracting optimal performance out of an orbit correction system is an important component of accelerator design and evaluation. The question of effectiveness vs. economy, however, is not always easily tractable. This is especially true in cases where betatron function magnitude and phase advance do not have smooth or periodic dependencies on the physical distance. In this report a program is presented using linear algebraic techniques to address this problem. A systematic recipe is given, supported with quantitative criteria, for arriving at an orbit correction system design with the optimal balance between performance and economy. The orbit referred to in this context can be generalized to include angle, path length, orbit effects on the optical transfer matrix, and simultaneous effects on multiple pass orbits

  11. Linear algebra

    Stoll, R R

    1968-01-01

    Linear Algebra is intended to be used as a text for a one-semester course in linear algebra at the undergraduate level. The treatment of the subject will be both useful to students of mathematics and those interested primarily in applications of the theory. The major prerequisite for mastering the material is the readiness of the student to reason abstractly. Specifically, this calls for an understanding of the fact that axioms are assumptions and that theorems are logical consequences of one or more axioms. Familiarity with calculus and linear differential equations is required for understand

  12. Linear programming

    Solow, Daniel

    2014-01-01

    This text covers the basic theory and computation for a first course in linear programming, including substantial material on mathematical proof techniques and sophisticated computation methods. Includes Appendix on using Excel. 1984 edition.

  13. Linear algebra

    Liesen, Jörg

    2015-01-01

    This self-contained textbook takes a matrix-oriented approach to linear algebra and presents a complete theory, including all details and proofs, culminating in the Jordan canonical form and its proof. Throughout the development, the applicability of the results is highlighted. Additionally, the book presents special topics from applied linear algebra including matrix functions, the singular value decomposition, the Kronecker product and linear matrix equations. The matrix-oriented approach to linear algebra leads to a better intuition and a deeper understanding of the abstract concepts, and therefore simplifies their use in real world applications. Some of these applications are presented in detailed examples. In several ‘MATLAB-Minutes’ students can comprehend the concepts and results using computational experiments. Necessary basics for the use of MATLAB are presented in a short introduction. Students can also actively work with the material and practice their mathematical skills in more than 300 exerc...

  14. Linear algebra

    Berberian, Sterling K

    2014-01-01

    Introductory treatment covers basic theory of vector spaces and linear maps - dimension, determinants, eigenvalues, and eigenvectors - plus more advanced topics such as the study of canonical forms for matrices. 1992 edition.

  15. Linear Models

    Searle, Shayle R

    2012-01-01

    This 1971 classic on linear models is once again available--as a Wiley Classics Library Edition. It features material that can be understood by any statistician who understands matrix algebra and basic statistical methods.

  16. Traumatic orbital CSF leak

    Borumandi, Farzad

    2013-01-01

    Compared to the cerebrospinalfluid (CSF) leak through the nose and ear, the orbital CSF leak is a rare and underreported condition following head trauma. We present the case of a 49-year-old woman with oedematous eyelid swelling and ecchymosis after a seemingly trivial fall onto the right orbit. Apart from the above, she was clinically unremarkable. The CT scan revealed a minimally displaced fracture of the orbital roof with no emphysema or intracranial bleeding. The fractured orbital roof in combination with the oedematous eyelid swelling raised the suspicion for orbital CSF leak. The MRI of the neurocranium demonstrated a small-sized CSF fistula extending from the anterior cranial fossa to the right orbit. The patient was treated conservatively and the lid swelling resolved completely after 5 days. Although rare, orbital CSF leak needs to be included in the differential diagnosis of periorbital swelling following orbital trauma. PMID:24323381

  17. LINEAR ACCELERATOR

    Christofilos, N.C.; Polk, I.J.

    1959-02-17

    Improvements in linear particle accelerators are described. A drift tube system for a linear ion accelerator reduces gap capacity between adjacent drift tube ends. This is accomplished by reducing the ratio of the diameter of the drift tube to the diameter of the resonant cavity. Concentration of magnetic field intensity at the longitudinal midpoint of the external sunface of each drift tube is reduced by increasing the external drift tube diameter at the longitudinal center region.

  18. Tailoring spin-orbit torque in diluted magnetic semiconductors

    Li, Hang; Wang, Xuhui; Doǧan, Fatih; Manchon, Aurelien

    2013-01-01

    We study the spin orbit torque arising from an intrinsic linear Dresselhaus spin-orbit coupling in a single layer III-V diluted magnetic semiconductor. We investigate the transport properties and spin torque using the linear response theory, and we report here: (1) a strong correlation exists between the angular dependence of the torque and the anisotropy of the Fermi surface; (2) the spin orbit torque depends nonlinearly on the exchange coupling. Our findings suggest the possibility to tailor the spin orbit torque magnitude and angular dependence by structural design.

  19. Tailoring spin-orbit torque in diluted magnetic semiconductors

    Li, Hang

    2013-05-16

    We study the spin orbit torque arising from an intrinsic linear Dresselhaus spin-orbit coupling in a single layer III-V diluted magnetic semiconductor. We investigate the transport properties and spin torque using the linear response theory, and we report here: (1) a strong correlation exists between the angular dependence of the torque and the anisotropy of the Fermi surface; (2) the spin orbit torque depends nonlinearly on the exchange coupling. Our findings suggest the possibility to tailor the spin orbit torque magnitude and angular dependence by structural design.

  20. Eye and orbital cavity

    Panfilova, G.V.; Koval', G.Yu.

    1984-01-01

    Radioanatomy of eyes and orbit is described. Diseases of the orbit (developmental anomalies, inflammatory diseases, lacrimal apparatus deseases, toxoplasmosis, tumors and cysts et al.), methods of foreign body localization in the eye are considered. Roentgenograms of the orbit and calculation table for foreign body localization in spherical eyes of dissimilar diameter are presented

  1. Introducing Earth's Orbital Eccentricity

    Oostra, Benjamin

    2015-01-01

    Most students know that planetary orbits, including Earth's, are elliptical; that is Kepler's first law, and it is found in many science textbooks. But quite a few are mistaken about the details, thinking that the orbit is very eccentric, or that this effect is somehow responsible for the seasons. In fact, the Earth's orbital eccentricity is…

  2. Space station orbit maintenance

    Kaplan, D. I.; Jones, R. M.

    1983-01-01

    The orbit maintenance problem is examined for two low-earth-orbiting space station concepts - the large, manned Space Operations Center (SOC) and the smaller, unmanned Science and Applications Space Platform (SASP). Atmospheric drag forces are calculated, and circular orbit altitudes are selected to assure a 90 day decay period in the event of catastrophic propulsion system failure. Several thrusting strategies for orbit maintenance are discussed. Various chemical and electric propulsion systems for orbit maintenance are compared on the basis of propellant resupply requirements, power requirements, Shuttle launch costs, and technology readiness.

  3. Nontraumatic orbital roof encephalocele.

    Hoang, Amber; Maugans, Todd; Ngo, Thang; Ikeda, Jamie

    2017-02-01

    Intraorbital meningoencephaloceles occur most commonly as a complication of traumatic orbital roof fractures. Nontraumatic congenital orbital meningoncephaloceles are very rare, with most secondary to destructive processes affecting the orbit and primary skull defects. Treatment for intraorbital meningoencephaloceles is surgical repair, involving the excision of herniated brain parenchyma and meninges and reconstruction of the osseous defect. Most congenital lesions present in infancy with obvious globe and orbital deformities; we report an orbital meningoencephalocele in a 3-year-old girl who presented with ptosis. Copyright © 2017 American Association for Pediatric Ophthalmology and Strabismus. Published by Elsevier Inc. All rights reserved.

  4. Self-consistent electronic structure of the contracted tungsten (001) surface

    Posternak, M.; Krakauer, H.; Freeman, A.J.

    1982-01-01

    Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures

  5. Linear regression

    Olive, David J

    2017-01-01

    This text covers both multiple linear regression and some experimental design models. The text uses the response plot to visualize the model and to detect outliers, does not assume that the error distribution has a known parametric distribution, develops prediction intervals that work when the error distribution is unknown, suggests bootstrap hypothesis tests that may be useful for inference after variable selection, and develops prediction regions and large sample theory for the multivariate linear regression model that has m response variables. A relationship between multivariate prediction regions and confidence regions provides a simple way to bootstrap confidence regions. These confidence regions often provide a practical method for testing hypotheses. There is also a chapter on generalized linear models and generalized additive models. There are many R functions to produce response and residual plots, to simulate prediction intervals and hypothesis tests, to detect outliers, and to choose response trans...

  6. Linear Colliders

    Alcaraz, J.

    2001-01-01

    After several years of study e''+ e''- linear colliders in the TeV range have emerged as the major and optimal high-energy physics projects for the post-LHC era. These notes summarize the present status form the main accelerator and detector features to their physics potential. The LHC era. These notes summarize the present status, from the main accelerator and detector features to their physics potential. The LHC is expected to provide first discoveries in the new energy domain, whereas an e''+ e''- linear collider in the 500 GeV-1 TeV will be able to complement it to an unprecedented level of precision in any possible areas: Higgs, signals beyond the SM and electroweak measurements. It is evident that the Linear Collider program will constitute a major step in the understanding of the nature of the new physics beyond the Standard Model. (Author) 22 refs

  7. Linear algebra

    Edwards, Harold M

    1995-01-01

    In his new undergraduate textbook, Harold M Edwards proposes a radically new and thoroughly algorithmic approach to linear algebra Originally inspired by the constructive philosophy of mathematics championed in the 19th century by Leopold Kronecker, the approach is well suited to students in the computer-dominated late 20th century Each proof is an algorithm described in English that can be translated into the computer language the class is using and put to work solving problems and generating new examples, making the study of linear algebra a truly interactive experience Designed for a one-semester course, this text adopts an algorithmic approach to linear algebra giving the student many examples to work through and copious exercises to test their skills and extend their knowledge of the subject Students at all levels will find much interactive instruction in this text while teachers will find stimulating examples and methods of approach to the subject

  8. Deadly Sunflower Orbits

    Hamilton, Douglas P.

    2018-04-01

    Solar radiation pressure is usually very effective at removing hazardous millimeter-sized debris from distant orbits around asteroidsand other small solar system bodies (Hamilton and Burns 1992). Theprimary loss mechanism, driven by the azimuthal component of radiationpressure, is eccentricity growth followed by a forced collision withthe central body. One large class of orbits, however, neatly sidestepsthis fate. Orbits oriented nearly perpendicular to the solar directioncan maintain their face-on geometry, oscillating slowly around a stableequilibrium orbit. These orbits, designated sunflower orbits, arerelated to terminator orbits studied by spacecraft mission designers(Broschart etal. 2014).Destabilization of sunflower orbits occurs only for particles smallenough that radiation pressure is some tens of percent the strength ofthe central body's direct gravity. This greatly enhanced stability,which follows from the inability of radiation incident normal to theorbit to efficiently drive eccentricities, presents a threat tospacecraft missions, as numerous dangerous projectiles are potentiallyretained in orbit. We have investigated sunflower orbits insupport of the New Horizons, Aida, and Lucy missions and find thatthese orbits are stable for hazardous particle sizes at asteroids,comets, and Kuiper belt objects of differing dimensions. Weinvestigate the sources and sinks for debris that might populate suchorbits, estimate timescales and equilibrium populations, and willreport on our findings.

  9. Orbital fractures: a review

    Jeffrey M Joseph

    2011-01-01

    Full Text Available Jeffrey M Joseph, Ioannis P GlavasDivision of Ophthalmic Plastic and Reconstructive Surgery, Department of Ophthalmology, School of Medicine, New York University, New York, NY, USA; Manhattan Eye, Ear, and Throat Hospital, New York, NY, USAAbstract: This review of orbital fractures has three goals: 1 to understand the clinically relevant orbital anatomy with regard to periorbital trauma and orbital fractures, 2 to explain how to assess and examine a patient after periorbital trauma, and 3 to understand the medical and surgical management of orbital fractures. The article aims to summarize the evaluation and management of commonly encountered orbital fractures from the ophthalmologic perspective and to provide an overview for all practicing ophthalmologists and ophthalmologists in training.Keywords: orbit, trauma, fracture, orbital floor, medial wall, zygomatic, zygomatic complex, zmc fracture, zygomaticomaxillary complex fractures 

  10. Dealing with Uncertainties in Initial Orbit Determination

    Armellin, Roberto; Di Lizia, Pierluigi; Zanetti, Renato

    2015-01-01

    A method to deal with uncertainties in initial orbit determination (IOD) is presented. This is based on the use of Taylor differential algebra (DA) to nonlinearly map the observation uncertainties from the observation space to the state space. When a minimum set of observations is available DA is used to expand the solution of the IOD problem in Taylor series with respect to measurement errors. When more observations are available high order inversion tools are exploited to obtain full state pseudo-observations at a common epoch. The mean and covariance of these pseudo-observations are nonlinearly computed by evaluating the expectation of high order Taylor polynomials. Finally, a linear scheme is employed to update the current knowledge of the orbit. Angles-only observations are considered and simplified Keplerian dynamics adopted to ease the explanation. Three test cases of orbit determination of artificial satellites in different orbital regimes are presented to discuss the feature and performances of the proposed methodology.

  11. Asteroid orbital error analysis: Theory and application

    Muinonen, K.; Bowell, Edward

    1992-01-01

    We present a rigorous Bayesian theory for asteroid orbital error estimation in which the probability density of the orbital elements is derived from the noise statistics of the observations. For Gaussian noise in a linearized approximation the probability density is also Gaussian, and the errors of the orbital elements at a given epoch are fully described by the covariance matrix. The law of error propagation can then be applied to calculate past and future positional uncertainty ellipsoids (Cappellari et al. 1976, Yeomans et al. 1987, Whipple et al. 1991). To our knowledge, this is the first time a Bayesian approach has been formulated for orbital element estimation. In contrast to the classical Fisherian school of statistics, the Bayesian school allows a priori information to be formally present in the final estimation. However, Bayesian estimation does give the same results as Fisherian estimation when no priori information is assumed (Lehtinen 1988, and reference therein).

  12. Satellite orbits in Levi-Civita space

    Humi, Mayer

    2018-03-01

    In this paper we consider satellite orbits in central force field with quadratic drag using two formalisms. The first using polar coordinates in which the satellite angular momentum plays a dominant role. The second is in Levi-Civita coordinates in which the energy plays a central role. We then merge these two formalisms by introducing polar coordinates in Levi-Civita space and derive a new equation for satellite orbits which unifies these two paradigms. In this equation energy and angular momentum appear on equal footing and thus characterize the orbit by its two invariants. Using this formalism we show that equatorial orbits around oblate spheroids can be expressed analytically in terms of Elliptic functions. In the second part of the paper we derive in Levi-Civita coordinates a linearized equation for the relative motion of two spacecrafts whose trajectories are in the same plane. We carry out also a numerical verification of these equations.

  13. Density functional theory for calculation of elastic properties of orthorhombic crystals: Application to TiSi2

    Ravindran, P.; Fast, L.; Korzhavyi, P.A.; Johansson, B.; Wills, J.; Eriksson, O.

    1998-01-01

    A theoretical formalism to calculate the single crystal elastic constants for orthorhombic crystals from first principle calculations is described. This is applied for TiSi 2 and we calculate the elastic constants using a full potential linear muffin-tin orbital method using the local density approximation (LDA) and generalized gradient approximation (GGA). The calculated values compare favorably with recent experimental results. An expression to calculate the bulk modulus along crystallographic axes of single crystals, using elastic constants, has been derived. From this the calculated linear bulk moduli are found to be in good agreement with the experiments. The shear modulus, Young's modulus, and Poisson's ratio for ideal polycrystalline TiSi 2 are also calculated and compared with corresponding experimental values. The directional bulk modulus and the Young's modulus for single crystal TiSi 2 are estimated from the elastic constants obtained from LDA as well as GGA calculations and are compared with the experimental results. The shear anisotropic factors and anisotropy in the linear bulk modulus are obtained from the single crystal elastic constants. From the site and angular momentum decomposed density of states combined with a charge density analysis and the elastic anisotropies, the chemical bonding nature between the constituents in TiSi 2 is analyzed. The Debye temperature is calculated from the average elastic wave velocity obtained from shear and bulk modulus as well as the integration of elastic wave velocities in different directions of the single crystal. The calculated elastic properties are found to be in good agreement with experimental values when the generalized gradient approximation is used for the exchange and correlation potential. copyright 1998 American Institute of Physics

  14. Linear programming

    Karloff, Howard

    1991-01-01

    To this reviewer’s knowledge, this is the first book accessible to the upper division undergraduate or beginning graduate student that surveys linear programming from the Simplex Method…via the Ellipsoid algorithm to Karmarkar’s algorithm. Moreover, its point of view is algorithmic and thus it provides both a history and a case history of work in complexity theory. The presentation is admirable; Karloff's style is informal (even humorous at times) without sacrificing anything necessary for understanding. Diagrams (including horizontal brackets that group terms) aid in providing clarity. The end-of-chapter notes are helpful...Recommended highly for acquisition, since it is not only a textbook, but can also be used for independent reading and study. —Choice Reviews The reader will be well served by reading the monograph from cover to cover. The author succeeds in providing a concise, readable, understandable introduction to modern linear programming. —Mathematics of Computing This is a textbook intend...

  15. Evaluation of the global orbit correction algorithm for the APS real-time orbit feedback system

    Carwardine, J.; Evans, K. Jr.

    1997-01-01

    The APS real-time orbit feedback system uses 38 correctors per plane and has available up to 320 rf beam position monitors. Orbit correction is implemented using multiple digital signal processors. Singular value decomposition is used to generate a correction matrix from a linear response matrix model of the storage ring lattice. This paper evaluates the performance of the APS system in terms of its ability to correct localized and distributed sources of orbit motion. The impact of regulator gain and bandwidth, choice of beam position monitors, and corrector dynamics are discussed. The weighted least-squares algorithm is reviewed in the context of local feedback

  16. Congenital orbital teratoma

    Aiyub, Shereen; Chan, Weng Onn; Szetu, John; Sullivan, Laurence J; Pater, John; Cooper, Peter; Selva, Dinesh

    2013-01-01

    We present a case of mature congenital orbital teratoma managed with lid-sparing exenteration and dermis fat graft. This is a case report on the management of congenital orbital teratoma. A full-term baby was born in Fiji with prolapsed right globe which was surrounded by a nonpulsatile, cystic mass. Clinical and imaging features were consistent with congenital orbital teratoma. Due to limited surgical expertise, the patient was transferred to Adelaide, Australia for further management. The p...

  17. Pictorial essay: Orbital tuberculosis

    Narula, Mahender K; Chaudhary, Vikas; Baruah, Dhiraj; Kathuria, Manoj; Anand, Rama

    2010-01-01

    Tuberculosis of the orbit is rare, even in places where tuberculosis is endemic. The disease may involve soft tissue, the lacrimal gland, or the periosteum or bones of the orbital wall. Intracranial extension, in the form of extradural abscess, and infratemporal fossa extension has been described. This pictorial essay illustrates the imaging findings of nine histopathologically confirmed cases of orbital tuberculosis. All these patients responded to antituberculous treatment

  18. Radiology of orbital trauma

    Kelly, J.K.; Lazo, A.; Metes, J.J.

    1988-01-01

    Computed tomography has become the gold standard against which to measure orbital imaging modalities. The simultaneous display of bone, soft tissues, paranasal sinuses, and intracranial structures is a unique advantage. Radiation dose and cost have been cited as disadvantages. These would suggest that CT be reserved for the patient with significant orbital injury or difficult diagnostic problems. Magnetic resonance is limited in the investigation of orbital trauma

  19. Neonatal orbital abscess

    Khalil M Al-Salem

    2014-01-01

    Full Text Available Orbital complications due to ethmoiditis are rare in neonates. A case of orbital abscess due to acute ethmoiditis in a 28-day-old girl is presented. A Successful outcome was achieved following antimicrobial therapy alone; spontaneous drainage of the abscess occurred from the lower lid without the need for surgery. From this case report, we intend to emphasize on eyelid retraction as a sign of neonatal orbital abscess, and to review all the available literature of similar cases.

  20. The Coupled Orbit-Attitude Dynamics and Control of Electric Sail in Displaced Solar Orbits

    Mingying Huo

    2017-01-01

    Full Text Available Displaced solar orbits for spacecraft propelled by electric sails are investigated. Since the propulsive thrust is induced by the sail attitude, the orbital and attitude dynamics of electric-sail-based spacecraft are coupled and required to be investigated together. However, the coupled dynamics and control of electric sails have not been discussed in most published literatures. In this paper, the equilibrium point of the coupled dynamical system in displaced orbit is obtained, and its stability is analyzed through a linearization. The results of stability analysis show that only some of the orbits are marginally stable. For unstable displaced orbits, linear quadratic regulator is employed to control the coupled attitude-orbit system. Numerical simulations show that the proposed strategy can control the coupled system and a small torque can stabilize both the attitude and orbit. In order to generate the control force and torque, the voltage distribution problem is studied in an optimal framework. The numerical results show that the control force and torque of electric sail can be realized by adjusting the voltage distribution of charged tethers.

  1. Orbital glass in HTSC

    Kusmartsev, F.V.

    1992-10-01

    The physical reasons why the orbital glass may exist in granular high-temperature superconductors and the existing experimental data appeared recently are discussed. The orbital glass is characterized by the coexistence of the orbital paramagnetic state with the superconducting state and occurs at small magnetic fields H c0 c1 . The transition in orbital glass arises at the critical field H c0 which is inversely proportional to the surface cross-area S of an average grain. In connection with theoretical predictions the possible experiments are proposed. (author). 10 refs

  2. Isomorphism of Intransitive Linear Lie Equations

    Jose Miguel Martins Veloso

    2009-11-01

    Full Text Available We show that formal isomorphism of intransitive linear Lie equations along transversal to the orbits can be extended to neighborhoods of these transversal. In analytic cases, the word formal is dropped from theorems. Also, we associate an intransitive Lie algebra with each intransitive linear Lie equation, and from the intransitive Lie algebra we recover the linear Lie equation, unless of formal isomorphism. The intransitive Lie algebra gives the structure functions introduced by É. Cartan.

  3. Magnetic instability with increasing hybridization in cerium compounds

    Kioussis, N.; Cooper, B.R.; Wills, J.M.

    1991-01-01

    A synthesis of a phenomenological theory of orbitally driven magnetic ordering of moderately delocalized light rare-earth systems and ab initio electronic structure calculations has been applied to investigate the change in magnetic behavior on going from CeSb to CeTe, both of which have rocksalt structure with a small decrease in lattice parameter. The hybridization-potential matrix elements and the band energies entering the Anderson-lattice Hamiltonian are obtained from linear-muffin-tin-orbital (LMTO) electronic-structure calculations with the Ce 4f states treated as core states. The position of the Ce 4f energy level relative to the Fermi energy and the intra-atomic Coulomb energy U are obtained by use of a sequence of three total-energy supercell calculations with one out of four Ce sites constrained to f n occupation with n=0,1,2, successively. The calculations elucidate the origins, in the electronic structure, of the variation of the f-state resonance width and hybridization potential on going from CeSb to CeTe, and the resultant sensitivity of the hybridization dressing of the crystal-field splitting and the hybridization-induced exchange interactions to chemical environment. The effect of opening up successive angular momentum scattering channels of the ab initio calculated two-ion exchange-interaction matrix on the nature of the magnetic ordering is examined. The calculated magnitude and range dependence of the two-ion exchange interactions changes sharply from CeSb to CeTe, yielding a change in magnetic behavior in qualitative agreement with experiment. The nonlinear hybridization effects on the hybridization dressing of the crystal-field splitting have been examined

  4. The complex metal-rich boride Ti1+xRh2-x+yIr3-yB3 (x=0.68, y=1.06) with a new structure type containing B4 zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    Goerens, Christian; Fokwa, Boniface P. T.

    2012-08-01

    Polycrystalline samples and single crystals of the new complex boride Ti1+xRh2-x+yIr3-yB3 (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B4 fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) Å, b=14.995(2) Å and c=3.234(1) Å. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B4 fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior.

  5. V{sub 1+x}Nb{sub 1-x}IrB{sub 2} (x ∼ 0.1), the first quaternary metal-rich -boride adopting the Mo{sub 2}IrB{sub 2}-type structure: Synthesis, crystal and electronic structure and bonding analysis

    Goerens, Christian; Fokwa, Boniface P.T. [Institute of Inorganic Chemistry, RWTH Aachen University (Germany)

    2013-02-15

    Polycrystalline samples and single crystals of the new metal-rich boride V{sub 1+x}Nb{sub 1-x}IrB{sub 2} (x ∼ 0.1), were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-ray diffraction and EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase adopts the Mo{sub 2}IrB{sub 2}-type structure (space group Pnnm, no. 58) with the lattice parameters a = 7.301(7) Aa, b = 9.388(9) Aa and c = 3.206(5) Aa. It is the first quaternary representative of Mo{sub 2}IrB{sub 2}-type structure. The structure contains zigzag B{sub 4}-fragments with boron-boron distances of 1.83-1.85 Aa. The electronic density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the zigzag B{sub 4}-fragment and two significantly different Ir-B interactions are observed in the new phase and the prototype Mo{sub 2}IrB{sub 2}. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Interfacial electronic charge transfer and density of states in short period Cu/Cr multilayers; TOPICAL

    Barbee, T W; Bello, A F; Klepeis, J E; Van Buuren, T

    1999-01-01

    Nanometer period metallic multilayers are ideal structures to investigate electronic phenomena at interfaces between metal films since interfacial atoms comprise a large atomic fraction of the samples. The Cu/Cr binary pair is especially suited to study the interfaces in metals since these elements are mutually insoluble, thus eliminating mixing effects and compound formation and the lattice mismatch is very small. This allows the fabrication of high structural quality Cu/Cr multilayers that have a structure which can be approximated in calculations based on idealized atomic arrangements. The electronic structure of the Cu and the Cr layers in several samples of thin Cu/Cr multilayers were studied using x-ray absorption spectroscopy (XAS). Total electron yield was measured and used to study the white lines at the Cu L(sub 2) and L(sub 3) absorption edges. The white lines at the Cu absorption edges are strongly related to the unoccupied d-orbitals and are used to calculate the amount of charge transfer between the Cr and Cu atoms in interfaces. Analysis of the Cu white lines show a charge transfer of 0.026 electrons/interfacial Cu atom to the interfacial Cr atoms. In the Cu XAS spectra we also observe a van Hove singularity between the L(sub 2) and L(sub 3) absorption edges as expected from the structural analysis. The absorption spectra are compared to partial density of states obtained from a full-potential linear muffin-tin orbital calculation. The calculations support the presence of charge transfer and indicate that it is localized to the first two interfacial layers in both Cu and Cr

  7. Electronic structure and X-ray spectroscopic properties of YbNi{sub 2}P{sub 2}

    Shcherba, I.D., E-mail: ishcherba@gmail.com [Institute of Technology, University of Pedagogy, Podchorazych 2, 30-084 Krakow (Poland); Lviv National University by Ivan Franko, Lviv (Ukraine); Bekenov, L.V.; Antonov, V.N. [Institute for Metal Physics, 36 Vernadsky Street, 03142 Kiev (Ukraine); Noga, H. [Institute of Technology, University of Pedagogy, Podchorazych 2, 30-084 Krakow (Poland); Uskokovic, D. [Institute of Technical Sciences, SASA, Belgrade (Serbia); Zhak, O.; Kovalska, M.V. [Lviv National University by Ivan Franko, Lviv (Ukraine)

    2016-10-15

    Highlights: • We present new experimental and theoretical data for YbNi{sub 2}P{sub 2}. • The presence of divalent and trivalent Yb ion found in YbNi{sub 2}P{sub 2}. • The calculation show good agreement with the experimental measurements. - Abstract: X-ray absorption spectrum at the Yb L{sub 3} edge and X-ray emission spectra of Ni and P at the K and L{sub 2,3} edges have been studied experimentally and theoretically in the mixed valent compound YbNi{sub 2}P{sub 2} with ThCr{sub 2}Si{sub 2} type crystal structure. The electronic structure of YbNi{sub 2}P{sub 2} is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi{sub 2}P{sub 2} is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E{sub 2} transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi{sub 2}P{sub 2} are reflected in the experimentally measured Yb L{sub 3} X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb{sup 2+} and Yb{sup 3+} spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.

  8. Electronic structure and X-ray spectroscopic properties of YbNi_2P_2

    Shcherba, I.D.; Bekenov, L.V.; Antonov, V.N.; Noga, H.; Uskokovic, D.; Zhak, O.; Kovalska, M.V.

    2016-01-01

    Highlights: • We present new experimental and theoretical data for YbNi_2P_2. • The presence of divalent and trivalent Yb ion found in YbNi_2P_2. • The calculation show good agreement with the experimental measurements. - Abstract: X-ray absorption spectrum at the Yb L_3 edge and X-ray emission spectra of Ni and P at the K and L_2_,_3 edges have been studied experimentally and theoretically in the mixed valent compound YbNi_2P_2 with ThCr_2Si_2 type crystal structure. The electronic structure of YbNi_2P_2 is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi_2P_2 is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E_2 transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi_2P_2 are reflected in the experimentally measured Yb L_3 X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb"2"+ and Yb"3"+ spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.

  9. 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.

    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.

  10. Congenital orbital encephalocele, orbital dystopia, and exophthalmos.

    Hwang, Kun; Kim, Han Joon

    2012-07-01

    We present here an exceedingly rare variant of a nonmidline basal encephalocele of the spheno-orbital type, and this was accompanied with orbital dystopia in a 56-year-old man. On examination, his left eye was located more inferolaterally than his right eye, and the patient said this had been this way since his birth. The protrusion of his left eye was aggravated when he is tired. His naked visual acuity was 0.7/0.3, and the ocular pressure was 14/12 mm Hg. The exophthalmometry was 10/14 to 16 mm. His eyeball motion was not restricted, yet diplopia was present in all directions. The distance from the midline to the medial canthus was 20/15 mm. The distance from the midline to the midpupillary line was 35/22 mm. The vertical dimension of the palpebral fissure was 12/9 mm. The height difference of the upper eyelid margin was 11 mm, and the height difference of the lower eyelid margin was 8 mm. Facial computed tomography and magnetic resonance imaging showed left sphenoid wing hypoplasia and herniation of the left anterior temporal pole and dura mater into the orbit, and this resulted into left exophthalmos and encephalomalacia in the left anterior temporal pole. To the best of our knowledge, our case is the second case of basal encephalocele and orbital dystopia.

  11. Relative Stabilities and Reactivities of Isolated Versus Conjugated Alkenes: Reconciliation Via a Molecular Orbital Approach

    Sotiriou-Leventis, Chariklia; Hanna, Samir B.; Leventis, Nicholas

    1996-04-01

    The well-accepted practice of generating a pair of molecular orbitals, one of lower energy and another of higher energy than the original pair of overlapping atomic orbitals, and the concept of a particle in a one-dimensional box are implemented in a simplified, nonmathematical method that explains the relative stabilities and reactivities of alkenes with conjugated versus isolated double bonds. In this method, Huckel-type MO's of higher polyenes are constructed by energy rules of linear combination of atomic orbitals. One additional rule is obeyed: bonding molecular orbitals overlap only with bonding molecular orbitals, and antibonding molecular orbitals overlap only with antibonding molecular orbitals.

  12. Titan Orbiter Aerorover Mission

    Sittler Jr., E. C.; Acuna, M.; Burchell, M. J.; Coates, A.; Farrell, W.; Flasar, M.; Goldstein, B. E.; Gorevan, S.; Hartle, R. E.; Johnson, W. T. K.

    2001-01-01

    We propose a combined Titan orbiter and Titan Aerorover mission with an emphasis on both in situ and remote sensing measurements of Titan's surface, atmosphere, ionosphere, and magnetospheric interaction. The biological aspect of the Titan environment will be emphasized by the mission (i.e., search for organic materials which may include simple organics to 'amono' analogues of amino acids and possibly more complex, lightening detection and infrared, ultraviolet, and charged particle interactions with Titan's surface and atmosphere). An international mission is assumed to control costs. NASA will provide the orbiter, launch vehicle, DSN coverage and operations, while international partners will provide the Aerorover and up to 30% of the cost for the scientific instruments through collaborative efforts. To further reduce costs we propose a single PI for orbiter science instruments and a single PI for Aerorover science instruments. This approach will provide single command/data and power interface between spacecraft and orbiter instruments that will have redundant central DPU and power converter for their instruments. A similar approach could be used for the Aerorover. The mission profile will be constructed to minimize conflicts between Aerorover science, orbiter radar science, orbiter radio science, orbiter imaging science, and orbiter fields and particles (FP) science. Additional information is contained in the original extended abstract.

  13. Orbital and adnexal sarcoidosis

    Prabhakaran, Venkatesh C.; Saeed, Perooz; Esmaeli, Bita; Sullivan, Timothy J.; Mcnab, Alan; Davis, Garry; Valenzuela, Alejandra; Leibovitch, Igal; Kesler, Anat; Sivak-Callcott, Jennifer; Hoyama, Erika; Selva, Dinesh

    2007-01-01

    To present the clinical features and management in a series of patients with orbital and adnexal sarcoidosis. This multicenter retrospective study included patients with biopsy-proven noncaseating granuloma involving the orbit or adnexa and evidence of systemic sarcoidosis. Clinical records were

  14. Update on orbital reconstruction.

    Chen, Chien-Tzung; Chen, Yu-Ray

    2010-08-01

    Orbital trauma is common and frequently complicated by ocular injuries. The recent literature on orbital fracture is analyzed with emphasis on epidemiological data assessment, surgical timing, method of approach and reconstruction materials. Computed tomographic (CT) scan has become a routine evaluation tool for orbital trauma, and mobile CT can be applied intraoperatively if necessary. Concomitant serious ocular injury should be carefully evaluated preoperatively. Patients presenting with nonresolving oculocardiac reflex, 'white-eyed' blowout fracture, or diplopia with a positive forced duction test and CT evidence of orbital tissue entrapment require early surgical repair. Otherwise, enophthalmos can be corrected by late surgery with a similar outcome to early surgery. The use of an endoscope-assisted approach for orbital reconstruction continues to grow, offering an alternative method. Advances in alloplastic materials have improved surgical outcome and shortened operating time. In this review of modern orbital reconstruction, several controversial issues such as surgical indication, surgical timing, method of approach and choice of reconstruction material are discussed. Preoperative fine-cut CT image and thorough ophthalmologic examination are key elements to determine surgical indications. The choice of surgical approach and reconstruction materials much depends on the surgeon's experience and the reconstruction area. Prefabricated alloplastic implants together with image software and stereolithographic models are significant advances that help to more accurately reconstruct the traumatized orbit. The recent evolution of orbit reconstruction improves functional and aesthetic results and minimizes surgical complications.

  15. Orbital wall fractures

    Iinuma, Toshitaka; Ishio, Ken-ichirou; Yoshinami, Hiroyoshi; Kuriyama, Jun-ichi; Hirota, Yoshiharu.

    1993-01-01

    A total of 59 cases of mild facial fractures (simple orbital wall fractures, 34 cases, other facial fractures, 25 cases) with the clinical suspects of orbital wall fractures were evaluated both by conventional views (Waters' and Caldwell views) and coronal CT scans. Conventional views were obtained, as an average, after 4 days and CT after 7 days of injuries. Both the medial wall and the floor were evaluated at two sites, i.e., anterior and posterior. The ethmoid-maxillary plate was also included in the study. The degree of fractures was classified as, no fractures, fractures of discontinuity, dislocation and fragmentation. The coronal CT images in bone window condition was used as reference and the findings were compared between conventional views and CT. The correct diagnosis was obtained as follows: orbital floor (anterior, 78%, posterior, 73%), medial orbital wall (anterior, 72%, posterior, 72%) and ethmoid-maxillary plate (64%). The false positive diagnosis was as follows: orbital floor (anterior only, 13%), medial orbital wall (anterior only, 7%) and ethmoid-maxillary plate (11%). The false negative diagnosis was as follows: orbital floor (anterior, 9%, posterior, 10%), medial orbital wall (anterior, 21%, posterior, 28%) and ethmoid-maxillary plate (21%). The results were compared with those of others in the past. (author)

  16. HEAVY ION LINEAR ACCELERATOR

    Van Atta, C.M.; Beringer, R.; Smith, L.

    1959-01-01

    A linear accelerator of heavy ions is described. The basic contributions of the invention consist of a method and apparatus for obtaining high energy particles of an element with an increased charge-to-mass ratio. The method comprises the steps of ionizing the atoms of an element, accelerating the resultant ions to an energy substantially equal to one Mev per nucleon, stripping orbital electrons from the accelerated ions by passing the ions through a curtain of elemental vapor disposed transversely of the path of the ions to provide a second charge-to-mass ratio, and finally accelerating the resultant stripped ions to a final energy of at least ten Mev per nucleon.

  17. Generalized Linear Covariance Analysis

    Carpenter, James R.; Markley, F. Landis

    2014-01-01

    This talk presents a comprehensive approach to filter modeling for generalized covariance analysis of both batch least-squares and sequential estimators. We review and extend in two directions the results of prior work that allowed for partitioning of the state space into solve-for'' and consider'' parameters, accounted for differences between the formal values and the true values of the measurement noise, process noise, and textita priori solve-for and consider covariances, and explicitly partitioned the errors into subspaces containing only the influence of the measurement noise, process noise, and solve-for and consider covariances. In this work, we explicitly add sensitivity analysis to this prior work, and relax an implicit assumption that the batch estimator's epoch time occurs prior to the definitive span. We also apply the method to an integrated orbit and attitude problem, in which gyro and accelerometer errors, though not estimated, influence the orbit determination performance. We illustrate our results using two graphical presentations, which we call the variance sandpile'' and the sensitivity mosaic,'' and we compare the linear covariance results to confidence intervals associated with ensemble statistics from a Monte Carlo analysis.

  18. First-principles investigations of the five-layer modulated martensitic structure in Ni2Mn(AlxGa1-x) alloys

    Luo, H.B.; Li, C.M.; Hu, Q.M.; Kulkova, S.E.; Johansson, B.; Vitos, L.; Yang, R.

    2011-01-01

    In this paper, the five-layer modulated (5M) martensitic structures of Ni 2 Mn(Al x Ga 1-x ), with x = 0, 0.1 and 0.2, are investigated by the use of the exact muffin-tin orbital method in combination with the coherent potential approximation. The 5M martensite is modeled by varying c/a (shear) and wave-like displacements of the atoms on (1 1 0) plane (shuffle) scaled by η according to Martynov and Kokorin (J. Phys. III 2, 739 (1992)). For Ni 2 MnGa, we obtain 5M martensite with equilibrium c/a of 0.92 and η of 0.08, in reasonable agreement with the experiment results (0.94 and 0.06, respectively). c/a and η are linearly coupled to each other. Al-doping increases c/a and decreases η, but the linear c/a ∼ η coupling remains. Comparing the total energies of the 5M martensite and L2 1 austenite, we find that the martensite is more stable than the austenite. Al-doping increases the relative stability of the austenite and finally becomes energetically degenerated with the 5M martensite at an Al atomic fraction (x) of about 0.26. The relative phase stability is analyzed based on the calculated density of states. The calculated total magnetic moments μ 0 as a function of c/a exhibit a maximum around the equilibrium c/a. Al-doping reduces μ 0 .

  19. Peripheral orbit model

    Hara, Yasuo

    1975-01-01

    Peripheral orbit model, in which an incoming hadron is assumed to revolve in a peripheral orbit around a target hadron, is discussed. The non-diffractive parts of two-body reaction amplitudes of hadrons are expressed in terms of the radius, width an absorptivity of the orbit. The radius of the orbit is about 1 fm and the width of the orbit is determined by the range of the interaction between the hadrons. The model reproduces all available experimental data on differential cross-sections and polarizations of $K^{-}p\\to K^{-}p$ and $\\bar K^{\\circ}n$ reactions for all angles successfully. This contribution is not included in the proceedings since it will appear in Progress of Theoretical Physics Vol. 51 (1974) No 2. Any person interested in the subject may apply for reprints to the author.

  20. Reduction of Linear Programming to Linear Approximation

    Vaserstein, Leonid N.

    2006-01-01

    It is well known that every Chebyshev linear approximation problem can be reduced to a linear program. In this paper we show that conversely every linear program can be reduced to a Chebyshev linear approximation problem.

  1. Electronic structure of spin systems

    Saha-Dasgupta, Tanusri

    2016-04-15

    Highlights: • We review the theoretical modeling of quantum spin systems. • We apply the Nth order muffin-tin orbital electronic structure method. • The method shows the importance of chemistry in the modeling. • CuTe{sub 2}O{sub 5} showed a 2-dimensional coupled spin dimer behavior. • Ti substituted Zn{sub 2}VO(PO{sub 4}){sub 2} showed spin gap behavior. - Abstract: Low-dimensional quantum spin systems, characterized by their unconventional magnetic properties, have attracted much attention. Synthesis of materials appropriate to various classes within these systems has made this field very attractive and a site of many activities. The experimental results like susceptibility data are fitted with the theoretical model to derive the underlying spin Hamiltonian. However, often such a fitting procedure which requires correct guess of the assumed spin Hamiltonian leads to ambiguity in deciding the representative model. In this review article, we will describe how electronic structure calculation within the framework of Nth order muffin-tin orbital (NMTO) based Wannier function technique can be utilized to identify the underlying spin model for a large number of such compounds. We will show examples from compounds belonging to vanadates and cuprates.

  2. Topology of tokamak orbits

    Rome, J.A.; Peng, Y.K.M.

    1978-09-01

    Guiding center orbits in noncircular axisymmetric tokamak plasmas are studied in the constants of motion (COM) space of (v, zeta, psi/sub m/). Here, v is the particle speed, zeta is the pitch angle with respect to the parallel equilibrium current, J/sub parallels/, and psi/sub m/ is the maximum value of the poloidal flux function (increasing from the magnetic axis) along the guiding center orbit. Two D-shaped equilibria in a flux-conserving tokamak having β's of 1.3% and 7.7% are used as examples. In this space, each confined orbit corresponds to one and only one point and different types of orbits (e.g., circulating, trapped, stagnation and pinch orbits) are represented by separate regions or surfaces in the space. It is also shown that the existence of an absolute minimum B in the higher β (7.7%) equilibrium results in a dramatically different orbit topology from that of the lower β case. The differences indicate the confinement of additional high energy (v → c, within the guiding center approximation) trapped, co- and countercirculating particles whose orbit psi/sub m/ falls within the absolute B well

  3. Harmonically excited orbital variations

    Morgan, T.

    1985-01-01

    Rephrasing the equations of motion for orbital maneuvers in terms of Lagrangian generalized coordinates instead of Newtonian rectangular cartesian coordinates can make certain harmonic terms in the orbital angular momentum vector more readily apparent. In this formulation the equations of motion adopt the form of a damped harmonic oscillator when torques are applied to the orbit in a variationally prescribed manner. The frequencies of the oscillator equation are in some ways unexpected but can nonetheless be exploited through resonant forcing functions to achieve large secular variations in the orbital elements. Two cases are discussed using a circular orbit as the control case: (1) large changes in orbital inclination achieved by harmonic excitation rather than one impulsive velocity change, and (2) periodic and secular changes to the longitude of the ascending node using both stable and unstable excitation strategies. The implications of these equations are also discussed for both artificial satellites and natural satellites. For the former, two utilitarian orbits are suggested, each exploiting a form of harmonic excitation. 5 refs

  4. Quark Orbital Angular Momentum

    Burkardt Matthias

    2015-01-01

    Full Text Available Definitions of orbital angular momentum based on Wigner distributions are used as a framework to discuss the connection between the Ji definition of the quark orbital angular momentum and that of Jaffe and Manohar. We find that the difference between these two definitions can be interpreted as the change in the quark orbital angular momentum as it leaves the target in a DIS experiment. The mechanism responsible for that change is similar to the mechanism that causes transverse single-spin asymmetries in semi-inclusive deep-inelastic scattering.

  5. Thrombosis of orbital varices

    Boschi Oyhenart, J.; Tenyi, A.; Boschi Pau, J.

    2002-01-01

    Orbital varices are venous malformations produced by an abnormal dilatation of one or more orbital veins, probably associated with congenital weakness of the vascular wall. They are rare lesions, usually occurring in young patients, that produce intermittent proptosis related to the increase in the systemic venous pressure. The presence of hemorrhage or thrombosis is associated with rapid development of proptosis, pain and decreased ocular motility. We report the cases of two adult patients with orbital varices complicated by thrombosis in whom the diagnosis was based on computed tomography. The ultrasound and magnetic resonance findings are also discussed. (Author) 16 refs

  6. linear-quadratic-linear model

    Tanwiwat Jaikuna

    2017-02-01

    Full Text Available Purpose: To develop an in-house software program that is able to calculate and generate the biological dose distribution and biological dose volume histogram by physical dose conversion using the linear-quadratic-linear (LQL model. Material and methods : The Isobio software was developed using MATLAB version 2014b to calculate and generate the biological dose distribution and biological dose volume histograms. The physical dose from each voxel in treatment planning was extracted through Computational Environment for Radiotherapy Research (CERR, and the accuracy was verified by the differentiation between the dose volume histogram from CERR and the treatment planning system. An equivalent dose in 2 Gy fraction (EQD2 was calculated using biological effective dose (BED based on the LQL model. The software calculation and the manual calculation were compared for EQD2 verification with pair t-test statistical analysis using IBM SPSS Statistics version 22 (64-bit. Results: Two and three-dimensional biological dose distribution and biological dose volume histogram were displayed correctly by the Isobio software. Different physical doses were found between CERR and treatment planning system (TPS in Oncentra, with 3.33% in high-risk clinical target volume (HR-CTV determined by D90%, 0.56% in the bladder, 1.74% in the rectum when determined by D2cc, and less than 1% in Pinnacle. The difference in the EQD2 between the software calculation and the manual calculation was not significantly different with 0.00% at p-values 0.820, 0.095, and 0.593 for external beam radiation therapy (EBRT and 0.240, 0.320, and 0.849 for brachytherapy (BT in HR-CTV, bladder, and rectum, respectively. Conclusions : The Isobio software is a feasible tool to generate the biological dose distribution and biological dose volume histogram for treatment plan evaluation in both EBRT and BT.

  7. Congenital orbital teratoma.

    Aiyub, Shereen; Chan, Wengonn; Szetu, John; Sullivan, Laurence J; Pater, John; Cooper, Peter; Selva, Dinesh

    2013-12-01

    We present a case of mature congenital orbital teratoma managed with lid-sparing exenteration and dermis fat graft. This is a case report on the management of congenital orbital teratoma. A full-term baby was born in Fiji with prolapsed right globe which was surrounded by a nonpulsatile, cystic mass. Clinical and imaging features were consistent with congenital orbital teratoma. Due to limited surgical expertise, the patient was transferred to Adelaide, Australia for further management. The patient underwent a lid-sparing exenteration with frozen section control of the apical margin. A dermis fat graft from the groin was placed beneath the lid skin to provide volume. Histopathology revealed mature tissues from each of the three germ cell layers which confirmed the diagnosis of mature teratoma. We describe the successful use of demis fat graft in socket reconstruction following lid-sparing exenteration for congenital orbital teratoma.

  8. Congenital orbital teratoma

    Shereen Aiyub

    2013-01-01

    Full Text Available We present a case of mature congenital orbital teratoma managed with lid-sparing exenteration and dermis fat graft. This is a case report on the management of congenital orbital teratoma. A full-term baby was born in Fiji with prolapsed right globe which was surrounded by a nonpulsatile, cystic mass. Clinical and imaging features were consistent with congenital orbital teratoma. Due to limited surgical expertise, the patient was transferred to Adelaide, Australia for further management. The patient underwent a lid-sparing exenteration with frozen section control of the apical margin. A dermis fat graft from the groin was placed beneath the lid skin to provide volume. Histopathology revealed mature tissues from each of the three germ cell layers which confirmed the diagnosis of mature teratoma. We describe the successful use of demis fat graft in socket reconstruction following lid-sparing exenteration for congenital orbital teratoma.

  9. PS Booster Orbit Correction

    Chanel, M; Rumolo, G; Tomás, R; CERN. Geneva. AB Department

    2008-01-01

    At the end of the 2007 run, orbit measurements were carried out in the 4 rings of the PS Booster (PSB) for different working points and beam energies. The aim of these measurements was to provide the necessary input data for a PSB realignment campaign during the 2007/2008 shutdown. Currently, only very few corrector magnets can be operated reliably in the PSB; therefore the orbit correction has to be achieved by displacing (horizontally and vertically) and/or tilting some of the defocusing quadrupoles (QDs). In this report we first describe the orbit measurements, followed by a detailed explanation of the orbit correction strategy. Results and conclusions are presented in the last section.

  10. Antisymmetric Orbit Functions

    Anatoliy Klimyk

    2007-02-01

    Full Text Available In the paper, properties of antisymmetric orbit functions are reviewed and further developed. Antisymmetric orbit functions on the Euclidean space $E_n$ are antisymmetrized exponential functions. Antisymmetrization is fulfilled by a Weyl group, corresponding to a Coxeter-Dynkin diagram. Properties of such functions are described. These functions are closely related to irreducible characters of a compact semisimple Lie group $G$ of rank $n$. Up to a sign, values of antisymmetric orbit functions are repeated on copies of the fundamental domain $F$ of the affine Weyl group (determined by the initial Weyl group in the entire Euclidean space $E_n$. Antisymmetric orbit functions are solutions of the corresponding Laplace equation in $E_n$, vanishing on the boundary of the fundamental domain $F$. Antisymmetric orbit functions determine a so-called antisymmetrized Fourier transform which is closely related to expansions of central functions in characters of irreducible representations of the group $G$. They also determine a transform on a finite set of points of $F$ (the discrete antisymmetric orbit function transform. Symmetric and antisymmetric multivariate exponential, sine and cosine discrete transforms are given.

  11. Local orbit feedback

    Anon.

    1991-01-01

    Critically aligned experiments are sensitive to small changes in the electron beam orbit. At the NSLS storage rings, the electron beam and photon beam motions have been monitored over the past several years. In the survey conducted in 1986 by the NSLS Users Executive Committee, experimenters requested the vertical beam position variation and the vertical angle variation, within a given fill, remain within 10 μm and 10 μr, respectively. This requires improvement in the beam stability by about one order of magnitude. At the NSLS and SSRL storage rings, the beam that is originally centered on the position monitor by a dc orbit correction is observed to have two kinds of motion: a dc drift over a storage period of several hours and a beam bounce about its nominal position. These motions are a result of the equilibrium orbit not being held perfectly stable due to time-varying errors introduced into the magnetic guide field by power supplies, mechanical vibration of the magnets, cooling water temperature variations, etc. The approach to orbit stabilization includes (1) identifying and suppressing as many noise sources on the machine as possible, (2) correcting the beam position globally (see Section 6) by controlling a number of correctors around the circumference of the machine, and (3) correcting the beam position and angle at a given source location by position feedback using local detectors and local orbit bumps. The third approach, called Local Orbit Feedback will be discussed in this section

  12. Electronic structure of TlBa2CaCu2O7-δ

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1997-06-01

    The core levels of TlBa2CaCu2O7-δ (Tl-1212) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (EF) for the stoichiometric compound (δ=0), while for 50% oxygen vacancies in the Tl-O layer (δ=0.5) EF is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher Tc, consistent with a shift of EF closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O8+δ (Tl-2212) and HgBa2CaCu2O6+δ (Hg-1212). The similarity of the Cu 2p3/2 spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p3/2 signals exhibit differences which suggest that the replacement of Tl3+ with Hg2+ results in a decrease in the O 2p-->Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

  13. Electronic structure of TlBa2CaCu2O7-δ

    Vasquez, R.P.; Novikov, D.L.; Freeman, A.J.; Siegal, M.P.

    1997-01-01

    The core levels of TlBa 2 CaCu 2 O 7-δ (Tl-1212) epitaxial films have been measured with x-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E F ) for the stoichiometric compound (δ=0), while for 50% oxygen vacancies in the Tl-O layer (δ=0.5) E F is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T c , consistent with a shift of E F closer to the VHS. Comparisons are made to the core levels and valence bands of Tl 2 Ba 2 CaCu 2 O 8+δ (Tl-2212) and HgBa 2 CaCu 2 O 6+δ (Hg-1212). The similarity of the Cu 2p 3/2 spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p 3/2 signals exhibit differences which suggest that the replacement of Tl 3+ with Hg 2+ results in a decrease in the O 2p→Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states. copyright 1997 The American Physical Society

  14. Electronic Structure of TlBa2CaCu2O(7-Delta)

    Vasquez, R. P.; Novikov, D. L.; Freeman, A. J.; Siegal, M. P.

    1997-01-01

    The core levels of TlBa2CaCu2O(7-delta) (Tl-1212) epitaxial films have been measured with X-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E(sub F)) for the stoichiometric compound (delta = 0.5), while for 50% oxygen vacancies in the Tl-O layer (delta = 0.5) E(sub F) is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T(sub c), consistent with a shift of E(sub F) closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O(8 + delta)(Tl-2212) and HgBa2CaCu2O)6 + delta) (Hg- 1212). The similarity of the Cu 2p(sub 3/2) spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p(sub 3/2) signals exhibit differences which suggest that the replacement of T(sup 3+) with Hg(sup 2+) results in a decrease in the O 2p right arrow Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

  15. A theoretical study of the omega-phase transformation in metals

    Sanati, Mahdi

    I have studied the formation of o-phase from electronic and mesoscopic (domain wall) points of view. To study the formation of domain walls, I have extended the Landau model of Cook for the o-phase transition by including a spatial gradient (Ginzburg) term of the scalar order parameter. In general, the Landau free energy is an asymmetric double-well potential. From the variational derivative of the total free energy I obtained a static equilibrium condition. By solving this equation for different physical parameters and boundary conditions, I obtained different quasi-one-dimensional soliton-like solutions. These solutions correspond to three different types of domain walls between the o-phase and the beta-matrix. These results are used to model the formation of the o-phase in bcc Ti. Canonical band model and first principles calculations confirmed the instability of the bcc-phase of group III and IV transition metals with respect to the o-phase transformation. I showed that the d-electron density is the controlling parameter for this type of the transformation. Also the possibility of formation of the o-phase for rare earth metals is discussed. First-principles full-potential linear muffin-tin orbital method (FPLMTO) calculations are performed for o-type displacement of the atoms to study the formation of the o-phase in TiAl and Ti 3Al2Nb alloys. The results of my calculations showed an instability in ordered B2 TiAl structure with respect to the o-phase when one third of the Al atoms are replaced by Nb atoms. These phenomena are explained, first by symmetry arguments; then a pair potential model is used to illustrate this instability based on interactions between different pair of atoms derived from the electronic structure. In addition, importance of the atomic arrangements on the structural stability of the Ti3Al2 Nb system is discussed.

  16. Correlated band magnetism of cerium and actinide materials

    Cooper, B.R.; Lin, Y.; Sheng, Q.G.

    1997-01-01

    We discuss (1) the effects to be expected by the introduction into the electronic structure of locally-based two-electron correlations between the f electrons and bonding electrons of p and d atomic origin centered off-site as well as f-f correlations, (2) the expected observable consequences of these two-electron correlations, and (3) how to perform electronic structure calculations including the two-electron correlations. We first review certain general features of the physics associated with capturing the dual energetically localized-delocalized nature of the f electron spectral density; and review model calculations involving a single on-site f electron and a single ligand p/d electron of off-site parentage which lead to the possibility of a narrow singlet and triplet (magnetic) band picture explaining heavy fermion phenomenology. We then show that the same singlet/magnetic state picture arises when we include two-electron f-l and f-f correlations for actinides, which have atomic f n configurations with n>1; and we describe a practical electronic structure scheme for real materials based on a sequence in which a conventional one-electron linearized combination of muffin-tin orbitals (LMTO) LDA+U calculation is followed by a calculation for the lattice with a helium like two-electron Hamiltonian at the f atom sites, i.e., two-electron atoms where initially for the core two electrons worth of charge are removed from the LMTO f-site atom. This procedure will reconstruct the LMTO bands to include two-electron texturing. copyright 1997 American Institute of Physics

  17. Ductility Enhancement of Molybdenum Phase by Nano-sizedd Oxide Dispersions

    Bruce Kang

    2008-07-31

    The present research is focused on ductility enhancement of molybdenum (Mo) alloys by adding nano-sized oxide particles to the alloy system. The research approach includes: (1) determination of microscopic mechanisms responsible for the macroscopic ductility enhancement effects through atomistic modeling of the metal-ceramic interface; (2) subsequent computer simulation-aided optimization of composition and nanoparticle size of the dispersion for improved performance; (3) synthesis and characterization of nanoparticle dispersion following the guidance from atomistic computational modeling analyses (e.g., by processing a small sample of Mo alloy for evaluation); and (4) experimental testing of the mechanical properties to determine optimal ductility enhancement.Through atomistic modeling and electronic structure analysis using full-potential linearized muffin-tin orbital (FP-LMTO) techniques, research to date has been performed on a number of selected chromium (Cr) systems containing nitrogen (N) and/or magnesium oxide (MgO) impurities. The emphasis has been on determining the properties of the valence electrons and the characteristics of the chemical bonds they formed. It was found that the brittle/ductile behavior of this transitional metal system is controlled by the relative population of valence charges: bonds formed by s valence electrons yield metallic, ductile behavior, whereas bonds formed by d valence electrons lead to covalent, brittle behavior. The presence of valence bands from impurities also affects the metal bonding, thereby explaining the detrimental and beneficial effects induced by the inclusion of N impurities and MgO dispersions. These understandings are useful for optimizing ductility enhancement effects on the dispersion materials.

  18. Electronic properties and structural phase transition in A4 [M4O4] (A=Li, Na, K and Rb; M=Ag and Cu): A first principles study

    Umamaheswari, R.; Yogeswari, M.; Kalpana, G.

    2013-02-01

    Self-consistent scalar relativistic band structure calculations for AMO (A=Li, Na, K and Rb; M=Ag and Cu) compounds have been performed using the tight-binding linear muffin-tin orbital (TB-LMTO) method within the local density approximation (LDA). At ambient conditions, these compounds are found to crystallize in tetragonal KAgO-type structure with two different space group I-4m2 and I4/mmm. Nowadays, hypothetical structures are being considered to look for new functional materials. AMO compounds have stoichiometry similar to eight-electron half-Heusler materials of type I-I-VI which crystallizes in cubic (C1b) MgAgAs-type structure with space group F-43m. For all these compounds, by interchanging the positions of atoms in the hypothetical cubic structure, three phases (α, β and γ) are formed. The energy-volume relation for these compounds in tetragonal KAgO-type structure and cubic α, β and γ phases of related structure have been obtained. Under ambient conditions these compounds are more stable in tetragonal KAgO-type (I4/mmm) structure. The total energies calculated within the atomic sphere approximation (ASA) were used to determine the ground state properties such as equilibrium lattice parameters, c/a ratio, bulk modulus, cohesive energy and are compared with the available experimental results. The results of the electronic band structure calculations at ambient condition show that LiCuO and NaMO are indirect band gap semiconductors whereas KMO and RbMO are direct band gap semiconductors. At high pressure the band gap decreases and the phenomenon of band overlap metallization occur. Also these compounds undergo structural phase transition from tetragonal I-4m2 phase to cubic α-phase and transition pressures were calculated.

  19. First principle investigation of structural, electronic and magnetic properties of cubic Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe)

    Yahi, Hakima, E-mail: yahihaki@yahoo.fr; Meddour, Athmane, E-mail: a_meddour@yahoo.fr

    2017-06-15

    In this study, we investigated the structural, electronic and magnetic properties of Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe) compounds in zinc blende (B3) ferromagnetic phase using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the frame work of the density functional theory and the generalized gradient approximation. The analysis of electronic structures shows that Cd{sub 0.9375}Ni{sub 0.0625}S, Cd{sub 0.9375}Co{sub 0.0625}S and Cd{sub 0.9375}Fe{sub 0.0625}S compounds are half-metallic ferromagnets with 100% spin polarization at the Fermi level. This half-metallic behavior is confirmed by the total calculated magnetic moment per Ni, Co and Fe substituted transition metal (TM) atom, which is found to be 2 µ{sub B}, 3 µ{sub B} and 4 µ{sub B} for Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe) compounds, respectively. Furthermore, we found that the TM-3d states are responsible for generating spin-polarization and magnetic moment in these compounds and we establish that the p-d hybridization reduces the local magnetic moment of TM atoms from its free space charge value and produces small local magnetic moments on nonmagnetic Cd and S host sites. Also, we predicted exchange splitting energy Δ{sub x}(pd) and exchange constants N{sub 0}α and N{sub 0}β. The calculated values validate the ferromagnetic nature of these compounds.

  20. Ab initio theories of electric transport in solid systems with reduced dimensions

    Weinberger, Peter

    2003-01-01

    Ab initio theories of electric transport in solid systems with reduced dimensions, i.e., systems that at best are characterized by two-dimensional translational invariance, are reviewed in terms of a fully relativistic description of the Kubo-Greenwood equation. As the use of this equation requires concepts such as collinearity and non-collinearity in order to properly define resistivities or resistances corresponding to particular magnetic configurations, respective consequences of the (local) density functional theory are recalled in quite a detailed manner. Furthermore, since theoretical descriptions of solid systems with reduced dimensions require quantum mechanical methods different from bulk systems (three-dimensional periodicity), the so-called Screened Korringa-Kohn-Rostoker (SKKR-) method for layered systems is introduced together with a matching coherent potential approximation (inhomogeneous CPA). The applications shown are mainly meant to illustrate various aspects of electric transport in solid systems with reduced dimensions and comprise not only current-in-plane (CIP) experiments, but also current perpendicular to the planes of atoms geometries, consequences of tunneling, and finite nanostructures at or on metallic substrates. In order to give a more complete view of available ab initio methods also a non-relativistic approach based on the Tight Binding Linear Combination of muffin tin orbitals (TB-LMTO-) method and the so-called Kubo-Landauer equation in terms of transmission and reflection matrices is presented. A compilation of references with respect to ab-initio type approaches not explicitly discussed in here finally concludes the discussion of electric properties in solid systems with reduced dimensions

  1. Ab-initio electronic and magnetic properties of Fe-Al alloys

    Apiñaniz, E.

    2000-06-01

    Full Text Available This work presents ab-initio self-consistent calculations performed with the TB-LMTO code to study the different phases of the Fe-Al phase diagram, corresponding to the ordered structures B2, DO3 and B32 and for Fe50Al50 and Fe3Al compositions. Both, unpolarized and spin-polarized calculations have been performed to deduce the energetic difference between the paramagnetic and ferromagnetic state of the corresponding structure. Calculations for the disordered structures have also been performed for the previously mentioned compositions. These results show that by disordering the alloy magnetism is enhanced and that the equilibrium lattice parameter increases.

    En este trabajo se presentan cálculos autoconsistentes ab-initio realizados con el método TB-LMTO (Tight Binding Linear Muffin Tin Orbital con el fin de estudiar las diferentes estructuras que se presentan en el diagrama de fases de las aleaciones Fe-Al. Se han estudiado las estructuras ordenadas B2, DO3 y B32 para las siguientes concentraciones: Fe50Al50 y Fe3Al. Asimismo, se han realizado cálculos teniendo y sin tener en cuenta la polarización de spin con el fin de poder deducir la diferencia energética entre los estados ferromágneticos y paramágneticos de la misma estructura. Por otra parte se han realizado estos mismos cálculos para estructuras desordenadas y las mismas concentraciones. Los resultados muestran que mediante el desorden aumenta el magnetismo de estas aleaciones y crece el parámetro de red.

  2. Precise Orbit Determination of QZS-1

    Hugentobler, U.; Steigenberger, P.; Rodriguez-Solano, C.; Hauschild, A.

    2011-12-01

    QZS-1, the first satellite of the Japanese Quasi Zenith Satellite System (QZSS) was launched in September 2010. Transmission of the standard codes started in December 2010 and the satellite was declared healthy in June 2011. Five stations of the COoperative Network for GIOVE Observation (CONGO) were upgraded to provide QZSS tracking capability. These five stations provide the basis for the precise orbit determination (POD) of the QZS-1 spacecraft. The stability and consistency of different orbital arc lengths is analyzed based on orbit fit residuals, day boundary discontinuities, and Satellite Laser Ranging residuals. As QZS-1 simultaneously transmits navigation signals on three frequencies in the L1, L2, and L5 band, different ionosphere-free linear combinations can be formed. The differences of the orbits computed from these different observables (ionosphere-free linear combination of L1/L2 and L1/L5) as well as the stability of the differential code biases estimated within the POD are studied. Finally, results of the attitude determination based on the navigation signal transmission from two different antennas onboard QZS-1 are presented.

  3. Orbit-attitude coupled motion around small bodies: Sun-synchronous orbits with Sun-tracking attitude motion

    Kikuchi, Shota; Howell, Kathleen C.; Tsuda, Yuichi; Kawaguchi, Jun'ichiro

    2017-11-01

    The motion of a spacecraft in proximity to a small body is significantly perturbed due to its irregular gravity field and solar radiation pressure. In such a strongly perturbed environment, the coupling effect of the orbital and attitude motions exerts a large influence that cannot be neglected. However, natural orbit-attitude coupled dynamics around small bodies that are stationary in both orbital and attitude motions have yet to be observed. The present study therefore investigates natural coupled motion that involves both a Sun-synchronous orbit and Sun-tracking attitude motion. This orbit-attitude coupled motion enables a spacecraft to maintain its orbital geometry and attitude state with respect to the Sun without requiring active control. Therefore, the proposed method can reduce the use of an orbit and attitude control system. This paper first presents analytical conditions to achieve Sun-synchronous orbits and Sun-tracking attitude motion. These analytical solutions are then numerically propagated based on non-linear coupled orbit-attitude equations of motion. Consequently, the possibility of implementing Sun-synchronous orbits with Sun-tracking attitude motion is demonstrated.

  4. E-Orbit Functions

    Jiri Patera

    2008-01-01

    Full Text Available We review and further develop the theory of $E$-orbit functions. They are functions on the Euclidean space $E_n$ obtained from the multivariate exponential function by symmetrization by means of an even part $W_{e}$ of a Weyl group $W$, corresponding to a Coxeter-Dynkin diagram. Properties of such functions are described. They are closely related to symmetric and antisymmetric orbit functions which are received from exponential functions by symmetrization and antisymmetrization procedure by means of a Weyl group $W$. The $E$-orbit functions, determined by integral parameters, are invariant withrespect to even part $W^{aff}_{e}$ of the affine Weyl group corresponding to $W$. The $E$-orbit functions determine a symmetrized Fourier transform, where these functions serve as a kernel of the transform. They also determine a transform on a finite set of points of the fundamental domain $F^{e}$ of the group $W^{aff}_{e}$ (the discrete $E$-orbit function transform.

  5. [Secondary orbital lymphoma].

    Basanta, I; Sevillano, C; Álvarez, M D

    2015-09-01

    A case is presented of an 85 year-old Caucasian female with lymphoma that recurred in the orbit (secondary ocular adnexal lymphoma). The orbital tumour was a diffuse large B-cell lymphoma according to the REAL classification (Revised European-American Lymphoma Classification). Orbital lymphomas are predominantly B-cell proliferations of a variety of histological types, and most are low-grade tumours. Patients are usually middle-aged or elderly, and it is slightly more common in women. A palpable mass, proptosis and blepharoptosis are the most common signs of presentation. Copyright © 2011 Sociedad Española de Oftalmología. Published by Elsevier España, S.L.U. All rights reserved.

  6. Large orbit neoclassical transport

    Lin, Z.; Tang, W.M.; Lee, W.W.

    1997-01-01

    Neoclassical transport in the presence of large ion orbits is investigated. The study is motivated by the recent experimental results that ion thermal transport levels in enhanced confinement tokamak plasmas fall below the open-quotes irreducible minimum levelclose quotes predicted by standard neoclassical theory. This apparent contradiction is resolved in the present analysis by relaxing the basic neoclassical assumption that the ions orbital excursions are much smaller than the local toroidal minor radius and the equilibrium scale lengths of the system. Analytical and simulation results are in agreement with trends from experiments. The development of a general formalism for neoclassical transport theory with finite orbit width is also discussed. copyright 1997 American Institute of Physics

  7. Orbital welding technique

    Hoeschen, W.

    2003-01-01

    The TIG (Tungsten-inert gas) orbital welding technique is applied in all areas of pipe welding. The process is mainly used for austenitic and ferritic materials but also for materials like aluminium, nickel, and titanium alloys are commonly welded according to this technique. Thin-walled as well as thick-walled pipes are welded economically. The application of orbital welding is of particular interest in the area of maintenance of thick-walled pipes that is described in this article. (orig.) [de

  8. Mean Orbital Elements for Geosynchronous Orbit - II - Orbital inclination, longitude of ascending node, mean longitude

    Kyu-Hong Choi

    1990-06-01

    Full Text Available The osculating orbital elements include the mean, secular, long period, and short period terms. The iterative algorithm used for conversion of osculating orbital elements to mean orbital elements is described. The mean orbital elements of Wc, Ws, and L are obtained.

  9. Unilateral Enophthalmos in Linear Scleroderma: A Case Report

    Cho, So hyun; Hwang, Hee Young; Choi, Hye Young; Kim, Hyung Sik [Gachon University, Gil Hospital, Incheon (Korea, Republic of)

    2010-04-15

    Linear scleroderma is an uncommon subtype of localized scleroderma, which is characterized by a linear streak that crosses dermatomes and is associated with the tracking of fibrosis from the skin into deeper tissues, including muscle and fascia. A severe form of this condition sometimes causes growth atrophy of bone and supporting tissue in the affected area. Enophthalmos as a manifestation of linear scleroderma is very rare and occurs due to the replacement of orbital fat and muscle with collagen, which finally leads to atrophy of the affected orbit. This report introduces imaging findings of two cases of enophthalmos caused by linear scleroderma

  10. Unilateral Enophthalmos in Linear Scleroderma: A Case Report

    Cho, So hyun; Hwang, Hee Young; Choi, Hye Young; Kim, Hyung Sik

    2010-01-01

    Linear scleroderma is an uncommon subtype of localized scleroderma, which is characterized by a linear streak that crosses dermatomes and is associated with the tracking of fibrosis from the skin into deeper tissues, including muscle and fascia. A severe form of this condition sometimes causes growth atrophy of bone and supporting tissue in the affected area. Enophthalmos as a manifestation of linear scleroderma is very rare and occurs due to the replacement of orbital fat and muscle with collagen, which finally leads to atrophy of the affected orbit. This report introduces imaging findings of two cases of enophthalmos caused by linear scleroderma

  11. Linear Algebra and Smarandache Linear Algebra

    Vasantha, Kandasamy

    2003-01-01

    The present book, on Smarandache linear algebra, not only studies the Smarandache analogues of linear algebra and its applications, it also aims to bridge the need for new research topics pertaining to linear algebra, purely in the algebraic sense. We have introduced Smarandache semilinear algebra, Smarandache bilinear algebra and Smarandache anti-linear algebra and their fuzzy equivalents. Moreover, in this book, we have brought out the study of linear algebra and vector spaces over finite p...

  12. Use of eigenvectors in understanding and correcting storage ring orbits

    Friedman, A.; Bozoki, E.

    1994-01-01

    The response matrix A is defined by the equation X=AΘ, where Θ is the kick vector and X is the resulting orbit vector. Since A is not necessarily a symmetric or even a square matrix we symmetrize it by using A T A. Then we find the eigenvalues and eigenvectors of this A T A matrix. The physical interpretation of the eigenvectors for circular machines is discussed. The task of the orbit correction is to find the kick vector Θ for a given measured orbit vector X. We are presenting a method, in which the kick vector is expressed as linear combination of the eigenvectors. An additional advantage of this method is that it yields the smallest possible kick vector to correct the orbit. We will illustrate the application of the method to the NSLS X-ray and UV storage rings and the resulting measurements. It will be evident, that the accuracy of this method allows the combination of the global orbit correction and local optimization of the orbit for beam lines and insertion devices. The eigenvector decomposition can also be used for optimizing kick vectors, taking advantage of the fact that eigenvectors with corresponding small eigenvalue generate negligible orbit changes. Thus, one can reduce a kick vector calculated by any other correction method and still stay within the tolerance for orbit correction. The use of eigenvectors in accurately measuring the response matrix and the use of the eigenvalue decomposition orbit correction algorithm in digital feedback is discussed. (orig.)

  13. Bohr orbit theory revisited

    Harcourt, R.D.

    1987-01-01

    Bohr orbit theory is used to calculate energies for the 1S, 2P, 3D, 4F and 5G states of the helium muonic atom, when the muon is excited. These energies are close to those which have been calculated variationally by Huang (1977, Phys. Rev. A 15 1832-8). (author)

  14. Meteoroid Orbits from Observations

    Campbell-Brown, Margaret

    2018-04-01

    Millions of orbits of meteoroids have been measured over the last few decades, and they comprise the largest sample of orbits of solar system bodies which exists. The orbits of these objects can shed light on the distribution and evolution of comets and asteroids in near-Earth space (e.g. Neslusan et al. 2016). If orbits can be measured at sufficiently high resolution, individual meteoroids can be traced back to their parent bodies and, in principle, even to their ejection time (Rudawska et al. 2012). Orbits can be measured with multi-station optical observations or with radar observations.The most fundamental measured quantities are the speed of the meteor and the two angles of the radiant, or point in the sky from which the meteor appears to come. There are many methods used to determine these from observations, but not all produce the most accurate results (Egal et al. 2017). These three measured quantities, along with the time and location of the observation, are sufficient to obtain an orbit (see, e.g., Clark & Wiegert 2011), but the measurements must be corrected for the deceleration of the meteoroid in the atmosphere before it was detected, the rotation of the Earth, and the gravitational attraction of the Earth (including higher order moments if great precision is necessary).Once meteor orbits have been determined, studies of the age and origin of meteor showers (Bruzzone et al., 2015), the parent bodies of sporadic sources (Pokorny et al. 2014), and the dynamics of the meteoroid complex as a whole can be constrained.Bruzzone, J. S., Brown, P., Weryk, R., Campbell-Brown, M., 2015. MNRAS 446, 1625.Clark, D., Wiegert, P., 2011. M&PS 46, 1217.Egal, A., Gural, P., Vaubaillon, J., Colas, F., Thuillot, W., 2017. Icarus 294, 43.Neslusan, L., Vaubaillon, J., Hajdukova, M., 2016. A&A 589, id.A100.Pokorny, P., Vokrouhlicky, D., Nesvorny, D., Campbell-Brown, M., Brown, P., 2014. ApJ 789, id.25.Rudawska, R., Vaubaillon, J., Atreya, P., 2012. A&A 541, id.A2

  15. Verifying black hole orbits with gravitational spectroscopy

    Drasco, Steve

    2009-01-01

    Gravitational waves from test masses bound to geodesic orbits of rotating black holes are simulated, using Teukolsky's black hole perturbation formalism, for about ten thousand generic orbital configurations. Each binary radiates power exclusively in modes with frequencies that are integer-linear combinations of the orbit's three fundamental frequencies. General spectral properties are found with a survey of orbits about a black hole taken to be rotating at 80% of the maximal spin. The orbital eccentricity is varied from 0.1 to 0.9. Inclination ranges from 20 deg. to 160 deg. and comes to within 20 deg. of polar. Semilatus rectum is varied from 1.2 to 3 times the value at the innermost stable circular orbits. The following general spectral properties are found: (i) 99% of the radiated power is typically carried by a few hundred modes, and at most by about a thousand modes, (ii) the dominant frequencies can be grouped into a small number of families defined by fixing two of the three integer frequency multipliers, and (iii) the specifics of these trends can be qualitatively inferred from the geometry of the orbit under consideration. Detections using triperiodic analytic templates modeled on these general properties would constitute a verification of radiation from an adiabatic sequence of black hole orbits and would recover the evolution of the fundamental orbital frequencies. In an analogy with ordinary spectroscopy, this would compare to observing the Bohr model's atomic hydrogen spectrum without being able to rule out alternative atomic theories or nuclei. The suitability of such a detection technique is demonstrated using snapshots computed at 12-hour intervals throughout the last three years before merger of a kludged inspiral. The system chosen is typical of those thought to occur in galactic nuclei and to be observable with space-based gravitational wave detectors like LISA. Because of circularization, the number of excited modes decreases as the binary

  16. Hydrodynamics of Normal Atomic Gases with Spin-orbit Coupling.

    Hou, Yan-Hua; Yu, Zhenhua

    2015-10-20

    Successful realization of spin-orbit coupling in atomic gases by the NIST scheme opens the prospect of studying the effects of spin-orbit coupling on many-body physics in an unprecedentedly controllable way. Here we derive the linearized hydrodynamic equations for the normal atomic gases of the spin-orbit coupling by the NIST scheme with zero detuning. We show that the hydrodynamics of the system crucially depends on the momentum susceptibilities which can be modified by the spin-orbit coupling. We reveal the effects of the spin-orbit coupling on the sound velocities and the dipole mode frequency of the gases by applying our formalism to the ideal Fermi gas. We also discuss the generalization of our results to other situations.

  17. Orbital motion in pre-main sequence binaries

    Schaefer, G. H. [The CHARA Array of Georgia State University, Mount Wilson Observatory, Mount Wilson, CA 91023 (United States); Prato, L. [Lowell Observatory, 1400 West Mars Hill Road, Flagstaff, AZ 86001 (United States); Simon, M. [Department of Physics and Astronomy, Stony Brook University, Stony Brook, NY 11794 (United States); Patience, J., E-mail: schaefer@chara-array.org [Astrophysics Group, School of Physics, University of Exeter, Exeter, EX4 4QL (United Kingdom)

    2014-06-01

    We present results from our ongoing program to map the visual orbits of pre-main sequence (PMS) binaries in the Taurus star forming region using adaptive optics imaging at the Keck Observatory. We combine our results with measurements reported in the literature to analyze the orbital motion for each binary. We present preliminary orbits for DF Tau, T Tau S, ZZ Tau, and the Pleiades binary HBC 351. Seven additional binaries show curvature in their relative motion. Currently, we can place lower limits on the orbital periods for these systems; full solutions will be possible with more orbital coverage. Five other binaries show motion that is indistinguishable from linear motion. We suspect that these systems are bound and might show curvature with additional measurements in the future. The observations reported herein lay critical groundwork toward the goal of measuring precise masses for low-mass PMS stars.

  18. Analytic robust stability analysis of SVD orbit feedback

    Pfingstner, Jürgen

    2012-01-01

    Orbit feedback controllers are indispensable for the operation of modern particle accelerators. Many such controllers are based on the decoupling of the inputs and outputs of the system to be controlled with the help of the singular value decomposition (SVD controller). It is crucial to verify the stability of SVD controllers, also in the presence of mismatches between the used accelerator model and the real machine (robust stability problem). In this paper, analytical criteria for guaranteed stability margins of SVD orbit feedback systems for three different types of model mismatches are presented: scaling errors of actuators and BPMs (beam position monitors) and additive errors of the orbit response matrix. For the derivation of these criteria, techniques from robust control theory have been used, e.g the small gain theorem. The obtained criteria can be easily applied directly to other SVD orbit feedback systems. As an example, the criteria were applied to the orbit feedback system of the Compact Linear ...

  19. Orbit selection of nanosatellite formation in term of fuel consumption

    Pimnoo, Ammarin; Hiraki, Koju

    In nanosatellite formation mission design, orbit selection is a necessary factor. Fuel consumption is also necessary to maintain the orbit. Therefore, the best orbit should be the one of minimum fuel consumption for nanosatellite formation. The purpose of this paper is to provide a convenient way to estimate fuel consumption for a nanosatellite to keep formation flying. The formation is disturbed by J _{2} perturbation and other perturbing accelerations. Firstly, the Hill-Clohessy-Wiltshire equations are used in the analysis. Gaussian variation of parameters is included into the Hill’s equation to analyze the variation of Kaplerian orbital elements. The J _{2} perturbation and other perturbing accelerations such as atmospheric drag, solar-radiation pressure and third-body perturbations are considered. Thus, a linear model based on Hill’s equation is established to estimate fuel consumption. Finally, an example of the best orbit for formation flying with minimum fuel consumption shall be presented.

  20. Frozen orbit realization using LQR analogy

    Nagarajan, N.; Rayan, H. Reno

    In the case of remote sensing orbits, the Frozen Orbit concept minimizes altitude variations over a given region using passive means. This is achieved by establishing the mean eccentricity vector at the orbital poles i.e., by fixing the mean argument of perigee at 90 deg with an appropriate eccentricity to balance the perturbations due to zonal harmonics J2 and J3 of the Earth's potential. Eccentricity vector is a vector whose magnitude is the eccentricity and direction is the argument of perigee. The launcher dispersions result in an eccentricity vector which is away from the frozen orbit values. The objective is then to formulate an orbit maneuver strategy to optimize the fuel required to achieve the frozen orbit in the presence of visibility and impulse constraints. It is shown that the motion of the eccentricity vector around the frozen perigee can be approximated as a circle. Combining the circular motion of the eccentricity vector around the frozen point and the maneuver equation, the following discrete equation is obtained. X(k+1) = AX(k) + Bu(k), where X is the state (i.e. eccentricity vector components), A the state transition matrix, u the scalar control force (i.e. dV in this case) and B the control matrix which transforms dV into eccentricity vector change. Based on this, it is shown that the problem of optimizing the fuel can be treated as a Linear Quadratic Regulator (LQR) problem in which the maneuver can be solved by using control system design tools like MATLAB by deriving an analogy LQR design.

  1. Spin-orbit beams for optical chirality measurement

    Samlan, C. T.; Suna, Rashmi Ranjan; Naik, Dinesh N.; Viswanathan, Nirmal K.

    2018-01-01

    Accurate measurement of chirality is essential for the advancement of natural and pharmaceutical sciences. We report here a method to measure chirality using non-separable states of light with geometric phase-gradient in the circular polarization basis, which we refer to as spin-orbit beams. A modified polarization Sagnac interferometer is used to generate spin-orbit beams wherein the spin and orbital angular momentum of the input Gaussian beam are coupled. The out-of-phase interference between counter-propagating Gaussian beams with orthogonal spin states and lateral-shear or/and linear-phase difference between them results in spin-orbit beams with linear and azimuthal phase gradient. The spin-orbit beams interact efficiently with the chiral medium, inducing a measurable change in the center-of-mass of the beam, using the polarization rotation angle and hence the chirality of the medium are accurately calculated. Tunable dynamic range of measurement and flexibility to introduce large values of orbital angular momentum for the spin-orbit beam, to improve the measurement sensitivity, highlight the techniques' versatility.

  2. Local orbitals by minimizing powers of the orbital variance

    Jansik, Branislav; Høst, Stinne; Kristensen, Kasper

    2011-01-01

    's correlation consistent basis sets, it is seen that for larger penalties, the virtual orbitals become more local than the occupied ones. We also show that the local virtual HF orbitals are significantly more local than the redundant projected atomic orbitals, which often have been used to span the virtual...

  3. GOC: General Orbit Code

    Maddox, L.B.; McNeilly, G.S.

    1979-08-01

    GOC (General Orbit Code) is a versatile program which will perform a variety of calculations relevant to isochronous cyclotron design studies. In addition to the usual calculations of interest (e.g., equilibrium and accelerated orbits, focusing frequencies, field isochronization, etc.), GOC has a number of options to calculate injections with a charge change. GOC provides both printed and plotted output, and will follow groups of particles to allow determination of finite-beam properties. An interactive PDP-10 program called GIP, which prepares input data for GOC, is available. GIP is a very easy and convenient way to prepare complicated input data for GOC. Enclosed with this report are several microfiche containing source listings of GOC and other related routines and the printed output from a multiple-option GOC run

  4. Orbital debris: a technical assessment

    Committee on Space Debris, National Research Council

    ..., and other debris created as a byproduct of space operations. Orbital Debris examines the methods we can use to characterize orbital debris, estimates the magnitude of the debris population, and assesses the hazard that this population poses to spacecraft...

  5. Orbiter OMS and RCS technology

    Boudreaux, R. A.

    1982-01-01

    Orbiter Orbital Maneuver Subsystem (OMS) and Reaction Control Subsystem (RCS) tankage has proved to be highly successful in shuttle flights on-orbit propellant transfer tests were done. Tank qualification tests along with flight demonstrations were carried out future uses of storable propellants are cited.

  6. Dynamic and reduced-dynamic precise orbit determination of satellites in low earth orbits

    Swatschina, P.

    2009-01-01

    The precise positioning of satellites in Low Earth Orbits (LEO) has become a key technology for advanced space missions. Dedicated satellite missions, such as CHAMP, GRACE and GOCE, that aim to map the Earths gravity field and its variation over time with unprecedented accuracy, initiated the demand for highly precise orbit solutions of LEO satellites. Furthermore, a wide range of additional science opportunities opens up with the capability to generate accurate LEO orbits. For all considered satellite missions, the primary measurement system for navigation is a spaceborne GPS receiver. The goal of this thesis is to establish and implement methods for Precise Orbit Determination (POD) of LEO satellites using GPS. Striving for highest precision using yet efficient orbit generation strategies, the attained orbit solutions are aimed to be competitive with the most advanced solutions of other institutions. Dynamic and reduced-dynamic orbit models provide the basic concepts of this work. These orbit models are subsequently adjusted to the highly accurate GPS measurements. The GPS measurements are introduced at the zero difference level in the ionosphere free linear combination. Appropriate procedures for GPS data screening and editing are established to detect erroneous data and to employ measurements of good quality only. For the dynamic orbit model a sophisticated force model, especially designed for LEO satellites, has been developed. In order to overcome the limitations that are induced by the deficiencies of the purely dynamical model, two different types of empirical parameters are introduced into the force model. These reduced-dynamic orbit models allow for the generation of much longer orbital arcs while preserving the spacecraft dynamics to the most possible extent. The two methods for reduced-dynamic orbit modeling are instantaneous velocity changes (pulses) or piecewise constant accelerations. For both techniques highly efficient modeling algorithms are

  7. THEORY OF SECULAR CHAOS AND MERCURY'S ORBIT

    Lithwick, Yoram; Wu Yanqin

    2011-01-01

    We study the chaotic orbital evolution of planetary systems, focusing on secular (i.e., orbit-averaged) interactions, which dominate on long timescales. We first focus on the evolution of a test particle that is forced by multiple planets. To linear order in eccentricity and inclination, its orbit precesses with constant frequencies. But nonlinearities modify the frequencies, and can shift them into and out of resonance with either the planets' eigenfrequencies (forming eccentricity or inclination secular resonances), or with linear combinations of those frequencies (forming mixed high-order secular resonances). The overlap of these nonlinear secular resonances drives secular chaos. We calculate the locations and widths of nonlinear secular resonances, display them together on a newly developed map (the 'map of the mean momenta'), and find good agreement between analytical and numerical results. This map also graphically demonstrates how chaos emerges from overlapping secular resonances. We then apply this newfound understanding to Mercury to elucidate the origin of its orbital chaos. We find that since Mercury's two free precession frequencies (in eccentricity and inclination) lie within ∼25% of two other eigenfrequencies in the solar system (those of the Jupiter-dominated eccentricity mode and the Venus-dominated inclination mode), secular resonances involving these four modes overlap and cause Mercury's chaos. We confirm this with N-body integrations by showing that a slew of these resonant angles alternately librate and circulate. Our new analytical understanding allows us to calculate the criterion for Mercury to become chaotic: Jupiter and Venus must have eccentricity and inclination of a few percent. The timescale for Mercury's chaotic diffusion depends sensitively on the forcing. As it is, Mercury appears to be perched on the threshold for chaos, with an instability timescale comparable to the lifetime of the solar system.

  8. Linearly constrained minimax optimization

    Madsen, Kaj; Schjær-Jacobsen, Hans

    1978-01-01

    We present an algorithm for nonlinear minimax optimization subject to linear equality and inequality constraints which requires first order partial derivatives. The algorithm is based on successive linear approximations to the functions defining the problem. The resulting linear subproblems...

  9. Linear fixed-field multipass arcs for recirculating linear accelerators

    V. S. Morozov

    2012-06-01

    Full Text Available Recirculating linear accelerators (RLA’s provide a compact and efficient way of accelerating particle beams to medium and high energies by reusing the same linac for multiple passes. In the conventional scheme, after each pass, the different energy beams coming out of the linac are separated and directed into appropriate arcs for recirculation, with each pass requiring a separate fixed-energy arc. In this paper we present a concept of an RLA return arc based on linear combined-function magnets, in which two and potentially more consecutive passes with very different energies are transported through the same string of magnets. By adjusting the dipole and quadrupole components of the constituting linear combined-function magnets, the arc is designed to be achromatic and to have zero initial and final reference orbit offsets for all transported beam energies. We demonstrate the concept by developing a design for a droplet-shaped return arc for a dogbone RLA capable of transporting two beam passes with momenta different by a factor of 2. We present the results of tracking simulations of the two passes and lay out the path to end-to-end design and simulation of a complete dogbone RLA.

  10. Foundations of linear and generalized linear models

    Agresti, Alan

    2015-01-01

    A valuable overview of the most important ideas and results in statistical analysis Written by a highly-experienced author, Foundations of Linear and Generalized Linear Models is a clear and comprehensive guide to the key concepts and results of linear statistical models. The book presents a broad, in-depth overview of the most commonly used statistical models by discussing the theory underlying the models, R software applications, and examples with crafted models to elucidate key ideas and promote practical model building. The book begins by illustrating the fundamentals of linear models,

  11. Low-Thrust Orbital Transfers in the Two-Body Problem

    A. A. Sukhanov

    2012-01-01

    Full Text Available Low-thrust transfers between given orbits within the two-body problem are considered; the thrust is assumed power limited. A simple method for obtaining the transfer trajectories based on the linearization of the motion near reference orbits is suggested. Required calculation accuracy can be reached by means of use of a proper number of the reference orbits. The method may be used in the case of a large number of the orbits around the attracting center; no averaging is necessary in this case. The suggested method also is applicable to the cases of partly given final orbit and if there are constraints on the thrust direction. The method gives an optimal solution to the linearized problem which is not optimal for the original nonlinear problem; the difference between the optimal solutions to the original and linearized problems is estimated using a numerical example. Also examples illustrating the method capacities are given.

  12. A Typical Presentation of Orbital Pseudotumor Mimicking Orbital Cellulitis

    J. Ayatollahi

    2013-10-01

    Full Text Available Introduction: Orbital pseudotumor, also known as idiopathic orbital inflammatory syndrome (IOIS, is a benign, non- infective inflammatory condition of the orbit without identifiable local or systemic causes. The disease may mimics a variety of pathologic conditions. We pre-sent a case of pseudotumor observed in a patient admitted under the name of orbital celluli-ties. Case Report: A 26-year-old woman reffered to our hospital with the history of left ocular pain and headache 2 days before her visit.. Ophthalmological examination of the patient was normal except for the redness and lid edema, mild chemosis and conjunctival injection. Gen-eral assessment was normal but a low grade fever was observed. She was hospitalized as an orbital cellulitis patient. She was treated with intravenous antibiotics. On the third day , sud-denly diplopia, proptosis in her left eye and ocular pain in her right side appeared. MRI re-vealed bilateral enlargement of extraocular muscles. Diagnosis of orbital pseudotumor was made and the patient was treated with oral steroid.She responded promptly to the treatment. Antibiotics were discontinued and steroid was tapered in one month period under close fol-low up. Conclusion: The clinical features of orbital pseudotumor vary widely . Orbital pseudotumor and orbital cellulitis can occasionally demonstrate overlapping features.. Despite complete physical examination and appropriate imaging, sometimes correct diagnosis of the disease would be difficult (Sci J Hamadan Univ Med Sci 2013; 20 (3:256-259

  13. Orbital preservation in a maxillectomy

    Tanaka, Katsuhiko; Nishikawa, Hitomi; Kumagai, Masahiko; Dosaka, Yoshihiro; Kuroda, Toru; Atago, Yoshihiro; Nishio, Masamichi [Sapporo National Hospital (Japan)

    1999-07-01

    In the past 9 years, 38 patients of the maxillary cancer were treated by a combination of radiation and surgery. Sixteen patients showed the orbital involvement as confirmed by a CT scan and/or MRI. An orbital excenteration was necessary in 6 patients, due mainly to deep intraorbital invasion, while in 10, the orbital contents were preserved despite the involvement of the orbital capsule. The local rate of the orbital region in the latter patients evaluated at 48 months after the initial surgery was 44%. For the treatment of the recurrence at the orbital capsule. The application of gold grain (Au{sup 198}) thus appeared to be a useful tool for further preserving the eye. (author)

  14. Orbital preservation in a maxillectomy

    Tanaka, Katsuhiko; Nishikawa, Hitomi; Kumagai, Masahiko; Dosaka, Yoshihiro; Kuroda, Toru; Atago, Yoshihiro; Nishio, Masamichi

    1999-01-01

    In the past 9 years, 38 patients of the maxillary cancer were treated by a combination of radiation and surgery. Sixteen patients showed the orbital involvement as confirmed by a CT scan and/or MRI. An orbital excenteration was necessary in 6 patients, due mainly to deep intraorbital invasion, while in 10, the orbital contents were preserved despite the involvement of the orbital capsule. The local rate of the orbital region in the latter patients evaluated at 48 months after the initial surgery was 44%. For the treatment of the recurrence at the orbital capsule. The application of gold grain (Au 198 ) thus appeared to be a useful tool for further preserving the eye. (author)

  15. Exploratory orbit analysis

    Michelotti, L.

    1989-03-01

    Unlike the other documents in these proceedings, this paper is neither a scientific nor a technical report. It is, rather, a short personal essay which attempts to describe an Exploratory Orbit Analysis (EOA) environment. Analyzing the behavior of a four or six dimensional nonlinear dynamical system is at least as difficult as analyzing events in high-energy collisions; the consequences of doing it badly, or slowly, would be at least as devastating; and yet the level of effort and expenditure invested in the latter, the very attention paid to it by physicists at large, must be two orders of magnitude greater than that given to the former. It is difficult to choose the model which best explains the behavior of a physical device if one does not first understand the behavior of the available models. The time is ripe for the development of a functioning EOA environment, which I will try to describe in this paper to help us achieve this goal

  16. Orbiting radiation stars

    Foster, Dean P; Langford, John; Perez-Giz, Gabe

    2016-01-01

    We study a spherically symmetric solution to the Einstein equations in which the source, which we call an orbiting radiation star (OR-star), is a compact object consisting of freely falling null particles. The solution avoids quantum scale regimes and hence neither relies upon nor ignores the interaction of quantum mechanics and gravitation. The OR-star spacetime exhibits a deep gravitational well yet remains singularity free. In fact, it is geometrically flat in the vicinity of the origin, with the flat region being of any desirable scale. The solution is observationally distinct from a black hole because a photon from infinity aimed at an OR-star escapes to infinity with a time delay. (paper)

  17. Exploratory orbit analysis

    Michelotti, L.

    1989-03-01

    Unlike the other documents in these proceedings, this paper is neither a scientific nor a technical report. It is, rather, a short personal essay which attempts to describe an Exploratory Orbit Analysis (EOA) environment. Analyzing the behavior of a four or six dimensional nonlinear dynamical system is at least as difficult as analyzing events in high-energy collisions; the consequences of doing it badly, or slowly, would be at least as devastating; and yet the level of effort and expenditure invested in the latter, the very attention paid to it by physicists at large, must be two orders of magnitude greater than that given to the former. It is difficult to choose the model which best explains the behavior of a physical device if one does not first understand the behavior of the available models. The time is ripe for the development of a functioning EOA environment, which I will try to describe in this paper to help us achieve this goal.

  18. Orbital Eccrine Hidrocystoma

    Deniz Marangoz

    2016-10-01

    Full Text Available A 29-year-old female patient presented with a painless mass on her upper eyelid medially. She noticed the mass 4 years earlier and it had increased in size over time. She had no diplopia, eyelid swelling, skin lesion overlying the mass, or visual disturbances. On ocular examination, eye movements and funduscopy were normal. The mass was movable and painless with palpation. Magnetic resonance imaging with contrast showed a 12x8x7 mm well-circumscribed cystic lesion with no contrast dye appearance. Surgical removal was performed delicately and no capsular rupture occured. Pathological examination revealed an eccrine hidrocystoma. Our aim is to underline that eccrine hidrocystoma should be included in differential diagnosis of orbital masses.

  19. Solitonic natural orbitals

    Cioslowski, Jerzy

    2018-04-01

    The dependence of the natural amplitudes of the harmonium atom in its ground state on the confinement strength ω is thoroughly investigated. A combination of rigorous analysis and extensive, highly accurate numerical calculations reveals the presence of only one positive-valued natural amplitude ("the normal sign pattern") for all ω ≥1/2 . More importantly, it is shown that unusual, weakly occupied natural orbitals (NOs) corresponding to additional positive-valued natural amplitudes emerge upon sufficient weakening of the confinement. These solitonic NOs, whose shapes remain almost invariant as their radial positions drift toward infinity upon the critical values of ω being approached from below, exhibit strong radial localization. Their asymptotic properties are extracted from the numerical data and their relevance to calculations on fully Coulombic systems is discussed.

  20. Homoclinic Orbits for a Class of Nonperiodic Hamiltonian Systems with Some Twisted Conditions

    Qi Wang

    2013-01-01

    Full Text Available By the Maslov index theory, we will study the existence and multiplicity of homoclinic orbits for a class of asymptotically linear nonperiodic Hamiltonian systems with some twisted conditions on the Hamiltonian functions.

  1. Extraction of Spin-Orbit Interactions from Phase Shifts via Inversion

    Lun, D.R.; Buckman, S.J.

    1997-01-01

    An exact inversion procedure for obtaining the central and spin-orbit potential from phase shifts at fixed energy is described. The method, based on Sabatier interpolation formulas, reduces the nonlinear problem to linear-algebraic equations. We have tested the method with a Woods-Saxon potential with a strong spin-orbit component. copyright 1997 The American Physical Society

  2. Stellar orbits around Sgr A*

    Trippe, S; Gillessen, S; Ott, T; Eisenhauer, F; Paumard, T; Martins, F; Genzel, R; Schoedel, R; Eckart, A; Alexander, T

    2006-01-01

    In this article we present and discuss the latest results from the observations of stars (''S-stars'') orbiting Sgr A* . With improving data quality the number of observed S-stars has increased substantially in the last years. The combination of radial velocity and proper motion information allows an ever more precise determination of orbital parameters and of the mass of and the distance to the supermassive black hole in the centre of the Milky Way. Additionally, the orbital solutions allow us to verify an agreement between the NIR source Sgr A* and the dynamical centre of the stellar orbits to within 2 mas

  3. Accelerated testing for synchronous orbits

    Mcdermott, P.

    1981-01-01

    Degradation of batteries during synchronous orbits is analyzed. Discharge and recharge rates are evaluated. The functional relationship between charge rate and degradation is mathematically determined.

  4. The conservation of orbital symmetry

    Woodward, R B

    2013-01-01

    The Conservation of Orbital Symmetry examines the principle of conservation of orbital symmetry and its use. The central content of the principle was that reactions occur readily when there is congruence between orbital symmetry characteristics of reactants and products, and only with difficulty when that congruence does not obtain-or to put it more succinctly, orbital symmetry is conserved in concerted reaction. This principle is expected to endure, whatever the language in which it may be couched, or whatever greater precision may be developed in its application and extension. The book ope

  5. On the atmospheric drag in orbit determination for low Earth orbit

    Tang, Jingshi; Liu, Lin; Miao, Manqian

    2012-07-01

    orbit is propagated to the end of the 11th day (including the first day for POD). It is found that this approach provides reasonable results that match the analytical accuracy. At the end of the 11th day, the along-track error increases to 20km following an approximate time-square law, while the radial error a few hundred meters, the normal error below 50 meters and both follow a mild linear law. The results show that with accurate observation, the mean atmospheric density processed with appropriate approach is sufficient to provide reasonably precise orbit in prediction and determination without having to acquire accurate atmosphere conditions. Once long arc becomes available, the parameter B^* can also be used to study its long-term variation (monthly or seasonal). This can be expected as an alternative way to improve orbit accuracy in prediction and determination for LEO.

  6. PyORBIT: A Python Shell For ORBIT

    Jean-Francois Ostiguy; Jeffrey Holmes

    2003-07-01

    ORBIT is code developed at SNS to simulate beam dynamics in accumulation rings and synchrotrons. The code is structured as a collection of external C++ modules for SuperCode, a high level interpreter shell developed at LLNL in the early 1990s. SuperCode is no longer actively supported and there has for some time been interest in replacing it by a modern scripting language, while preserving the feel of the original ORBIT program. In this paper, we describe a new version of ORBIT where the role of SuperCode is assumed by Python, a free, well-documented and widely supported object-oriented scripting language. We also compare PyORBIT to ORBIT from the standpoint of features, performance and future expandability.

  7. Orbital Chondroma: A rare mesenchymal tumor of orbit

    Ruchi S Kabra

    2015-01-01

    Full Text Available While relatively common in the skeletal system, cartilaginous tumors are rarely seen originating from the orbit. Here, we report a rare case of an orbital chondroma. A 27-year-old male patient presented with a painless hard mass in the superonasal quadrant (SNQ of left orbit since 3 months. On examination, best-corrected visual acuity of both eyes was 20/20, with normal anterior and posterior segment with full movements of eyeballs and normal intraocular pressure. Computerized tomography scan revealed well defined soft tissue density lesion in SNQ of left orbit. Patient was operated for anteromedial orbitotomy under general anesthesia. Mass was excised intact and sent for histopathological examination (HPE. HPE report showed lobular aggregates of benign cartilaginous cells with mild atypia suggesting of benign cartilaginous tumor - chondroma. Very few cases of orbital chondroma have been reported in literature so far.

  8. PyORBIT: A Python Shell For ORBIT

    Jean-Francois Ostiguy; Jeffrey Holmes

    2003-01-01

    ORBIT is code developed at SNS to simulate beam dynamics in accumulation rings and synchrotrons. The code is structured as a collection of external C++ modules for SuperCode, a high level interpreter shell developed at LLNL in the early 1990s. SuperCode is no longer actively supported and there has for some time been interest in replacing it by a modern scripting language, while preserving the feel of the original ORBIT program. In this paper, we describe a new version of ORBIT where the role of SuperCode is assumed by Python, a free, well-documented and widely supported object-oriented scripting language. We also compare PyORBIT to ORBIT from the standpoint of features, performance and future expandability

  9. Supervoltage orbital radiotherapy for progressive Graves' ophthalmopathy

    Kriss, J.P.; McDougall, I.R.; Petersen, I.A.; Donaldson, S.S.

    1989-01-01

    Since 1968 we have employed supervoltage orbital radiation as treatment for severe progressive Graves' ophthalmopathy. A numerical ophthalmic index was used to asess pre- and post-treatment serverity. In the past 20 years we have treated 311 patients of whom 275 have been followed for ≤ 1 year or until any eye surgery was performed. An orbital radiation dosage of 2000 rads in 2 weeks was used for the majority of patients (Series I and III). Series II patients received an orbital dose of 3000 rads in 3 weeks. Demographic differences were observed between these series, thus mandating presentation of the results of each separately. Analyses excluded any result achieved by any post-radiation surgical procedure on the eyes. Post-theraphy worsening of ophtalmopathy occurred in only 29 of 1025 observations. Improvement or complete resolution was observed within each category of eye involvement, but lack of favorable response was also recorded in significant numbers. Improvement in proptosis occurred with the lowest frequency and magnitude. About 30% of the patients required eye muscle surgery to correct residual diplopia. Analysis of the data by step-wise linear regression analysis enabled us a. to derive formulae predicting the problable response to radiation therapy according to sign and severity, and b. identify parameters which diminished the likelihood or the extent of a favorable response. The latter included male sex, never thyrotoxic, age greater than 60 years, and requirement for concomitant treatment for hyperthyroidism. No long-term adverse reactions attributable to the radiotherapy have been observed. We conclude that supervoltage orbital radiotherapy, combined with later eye muscle surgery if necessary, is an effective treatment strategy for progressive Graves' ophthalmopathy. (author)

  10. Infected orbital cyst following exenteration.

    Barak, A; Hirsh, A; Rosner, M; Rosen, N

    1996-09-01

    An orbital cyst is a rare complication of orbital trauma and exenteration. Infections of such cysts have not been described, and are potentially dangerous unless treated immediately. The authors describe a case of delayed treatment of such an infected cyst, which resolved following surgical drainage. The potentially hazardous outcome makes knowledge of such cases important.

  11. GridOrbit public display

    Ramos, Juan David Hincapie; Tabard, Aurélien; Bardram, Jakob

    2010-01-01

    We introduce GridOrbit, a public awareness display that visualizes the activity of a community grid used in a biology laboratory. This community grid executes bioin-formatics algorithms and relies on users to donate CPU cycles to the grid. The goal of GridOrbit is to create a shared awareness about...

  12. Diplopia and Orbital Wall Fractures

    Boffano, P.; Roccia, F.; Gallesio, C.; Karagozoglu, K.H.; Forouzanfar, T.

    2014-01-01

    Diplopia is a symptom that is frequently associated with orbital wall fractures. The aim of this article was to present the incidence and patterns of diplopia after orbital wall blow-out fractures in 2 European centers, Turin and Amsterdam, and to identify any correlation between this symptom and

  13. Diplopia and orbital wall fractures

    Boffano, P.; Roccia, F.; Gallesio, C.; Karagozoglu, K.H.; Forouzanfar, T.

    2014-01-01

    Diplopia is a symptom that is frequently associated with orbital wall fractures. The aim of this article was to present the incidence and patterns of diplopia after orbital wall blow-out fractures in 2 European centers, Turin and Amsterdam, and to identify any correlation between this symptom and

  14. Orbital Dynamics and Habitability of Exoplanets

    Deitrick, Russell J.

    's Pleistocene ice ages. Mutual inclinations lead not only to larger variations in a planet's obliquity, but also uncover secular spin-orbit resonances, which lead to yet more dramatic behavior. I modeled the obliquity evolution of planets in this highly non-linear dynamical regime. Connecting the dynamical models to an simple climate model with ice sheets, I modeled the effects of such dynamical evolution on an Earth-like planet's climate. As expected, such "exo-Milankovitch cycles" can be rapid and dramatic, often leading to complete collapse into a snowball state. By demonstrating a handful of the many ways dynamics can influence habitability, this research provides context to observations of exoplanets and connects to one of the key goals of astrobiology, to "Determine the potential for habitable planets beyond the Solar System, and characterize those that are observable" (Des Marais et al., 2008). It provides tools and techniques that may be used to help prioritize exoplanet targets for characterization missions when very little information is known other than orbital properties. It also demonstrates how orbital evolution affects observable quantities like albedo, and will assist in the interpretation of spectra.

  15. A linear programming manual

    Tuey, R. C.

    1972-01-01

    Computer solutions of linear programming problems are outlined. Information covers vector spaces, convex sets, and matrix algebra elements for solving simultaneous linear equations. Dual problems, reduced cost analysis, ranges, and error analysis are illustrated.

  16. Linear shaped charge

    Peterson, David; Stofleth, Jerome H.; Saul, Venner W.

    2017-07-11

    Linear shaped charges are described herein. In a general embodiment, the linear shaped charge has an explosive with an elongated arrowhead-shaped profile. The linear shaped charge also has and an elongated v-shaped liner that is inset into a recess of the explosive. Another linear shaped charge includes an explosive that is shaped as a star-shaped prism. Liners are inset into crevices of the explosive, where the explosive acts as a tamper.

  17. Classifying Linear Canonical Relations

    Lorand, Jonathan

    2015-01-01

    In this Master's thesis, we consider the problem of classifying, up to conjugation by linear symplectomorphisms, linear canonical relations (lagrangian correspondences) from a finite-dimensional symplectic vector space to itself. We give an elementary introduction to the theory of linear canonical relations and present partial results toward the classification problem. This exposition should be accessible to undergraduate students with a basic familiarity with linear algebra.

  18. Linear-Algebra Programs

    Lawson, C. L.; Krogh, F. T.; Gold, S. S.; Kincaid, D. R.; Sullivan, J.; Williams, E.; Hanson, R. J.; Haskell, K.; Dongarra, J.; Moler, C. B.

    1982-01-01

    The Basic Linear Algebra Subprograms (BLAS) library is a collection of 38 FORTRAN-callable routines for performing basic operations of numerical linear algebra. BLAS library is portable and efficient source of basic operations for designers of programs involving linear algebriac computations. BLAS library is supplied in portable FORTRAN and Assembler code versions for IBM 370, UNIVAC 1100 and CDC 6000 series computers.

  19. Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals.

    Sayfutyarova, Elvira R; Sun, Qiming; Chan, Garnet Kin-Lic; Knizia, Gerald

    2017-09-12

    We introduce the atomic valence active space (AVAS), a simple and well-defined automated technique for constructing active orbital spaces for use in multiconfiguration and multireference (MR) electronic structure calculations. Concretely, the technique constructs active molecular orbitals capable of describing all relevant electronic configurations emerging from a targeted set of atomic valence orbitals (e.g., the metal d orbitals in a coordination complex). This is achieved via a linear transformation of the occupied and unoccupied orbital spaces from an easily obtainable single-reference wave function (such as from a Hartree-Fock or Kohn-Sham calculations) based on projectors to targeted atomic valence orbitals. We discuss the premises, theory, and implementation of the idea, and several of its variations are tested. To investigate the performance and accuracy, we calculate the excitation energies for various transition-metal complexes in typical application scenarios. Additionally, we follow the homolytic bond breaking process of a Fenton reaction along its reaction coordinate. While the described AVAS technique is not a universal solution to the active space problem, its premises are fulfilled in many application scenarios of transition-metal chemistry and bond dissociation processes. In these cases the technique makes MR calculations easier to execute, easier to reproduce by any user, and simplifies the determination of the appropriate size of the active space required for accurate results.

  20. Dynamic orbital textures in 3He-A

    Hall, H.E.; Hook, J.R.; Main, P.C.; Bagley, M.

    1978-01-01

    Three related pieces of work on the dynamic orbital texture of 3 He-A in a slab geometry have been carried out. (1) The non-linear equation of motion of the orbital axis has been studied analytically and numerically for heat flow normal to a slab. If the product of counter-flow velocity and slab thickness is greater than 5 π h/3 m, the lower energy uniform texture is unstable, and persistent orbital oscillation results in. (2) The torsion pendulum experiment has demonstrated the alignment of l by flow in a channel of width 380 μm. In this experiment, the oscillation was rapid as compared with the orbital relaxation time, so that the texture is controlled by the root mean square velocity. (3) In an attempt to observe directly the dissipation by orbital viscosity, the torsion pendulum experiment has been repeated with 17μm flow channels, for which orbital relaxation time and oscillation period should be comparable. Dissipation above a critical amplitude that occurs in the A-phase but not in the B-phase was observed. The dissipation is of the expected magnitude. (Kobatake, H

  1. Rehabilitation of orbital cavity after orbital exenteration using polymethyl methacrylate orbital prosthesis

    Sumeet Jain

    2016-01-01

    Full Text Available Squamous cell carcinoma of the eyelid is the second most common malignant neoplasm of the eye with the incidence of 0.09 and 2.42 cases/100 000 people. Orbital invasion is a rare complication but, if recognized early, can be treated effectively with exenteration. Although with advancements in technology such as computer-aided design and computer-aided manufacturing, material science, and retentive methods like implants, orbital prosthesis with stock ocular prosthesis made of methyl methacrylate retained by anatomic undercuts is quiet effective and should not be overlooked and forgotten. This clinical report describes prosthetic rehabilitation of two male patients with polymethyl methacrylate resin orbital prosthesis after orbital exenteration, for squamous cell carcinoma of the upper eyelid. The orbital prosthesis was sufficiently retained by hard and soft tissue undercuts without any complications. The patients using the prosthesis are quite satisfied with the cosmetic results and felt comfortable attending the social events.

  2. Magneto-optical Kerr spectroscopy of noble metals

    Uba, L.; Uba, S.; Antonov, V. N.

    2017-12-01

    Magneto-optical (MO) response of the noble metals Cu, Ag, and Au in the joint experimental and ab initio theoretical study is reported. The magneto-optical polar Kerr effect (MOKE) spectra of the noble-metal films were measured with the high sensitivity in the applied magnetic field of 1.5 T over the photon energy range 0.74-5.8 eV. Complete set of the optical conductivity tensor elements was determined precisely from the MOKE and the optical spectra measured at the same energy points. The importance of the off-diagonal intraband Drude-type transitions is demonstrated explicitly for each noble metal and found to be a substantial contribution to the observed spectra. It is shown that the first-principles calculations using the spin-polarized fully relativistic Dirac linear-muffin-tin-orbital method with the inclusion of correlation effects by GGA+U approach reproduce well the experimental spectra and allow to explain the microscopic origin of the noble metals' magneto-optical response in terms of interband transitions. Although the energy band structures of Cu, Ag, and Au are very similar, there are some distinctive differences in bandwidths and the energy positions of the bands (especially in X and L symmetry points), mainly due to different spin-orbit splitting and differences in the spatial extent of 3 d , 4 d , and 5 d valence wave functions of noble metals. It was found that the small differences in the band positions lead to significant differences in the MO properties of three noble metals. Although the spin-orbit interaction in Au is about six times larger than in Cu, and approximately two times larger than in Ag, the absolute value of Kerr rotation in Au is of the same magnitude as in Cu and one order of magnitude smaller as compared to Ag. The sharp Kerr effect spectral peak in Ag is not due to the electronic interband transitions, but rather to the plasma-edge splitting. The band-by-band decomposition of the Cu, Ag, and Au MO spectra is presented and the

  3. Orbital Evolution and Orbital Phase Resolved Spectroscopy of the ...

    binary. We have carried out orbital phase resolved spectroscopy to mea- ... agreement with a simple model of a spherically symmetric stellar wind from the .... has a set of Narrow Field Instruments (NFI) comprising one Low Energy Concen-.

  4. Orbital Infarction due to Sickle Cell Disease without Orbital Pain

    Cameron L. McBride

    2016-01-01

    Full Text Available Sickle cell disease is a hemoglobinopathy that results in paroxysmal arteriolar occlusion and tissue infarction that can manifest in a plurality of tissues. Rarely, these infarcted crises manifest in the bony orbit. Orbital infarction usually presents with acute onset of periorbital tenderness, swelling, erythema, and pain. Soft tissue swelling can result in proptosis and attenuation of extraocular movements. Expedient diagnosis of sickle cell orbital infarction is crucial because this is a potentially sight-threatening entity. Diagnosis can be delayed since the presentation has physical and radiographic findings mimicking various infectious and traumatic processes. We describe a patient who presented with sickle cell orbital crisis without pain. This case highlights the importance of maintaining a high index of suspicion in patients with known sickle cell disease or of African descent born outside the United States in a region where screening for hemoglobinopathy is not routine, even when the presentation is not classic.

  5. Computed tomography of orbital myositis

    Dresner, S.C.; Rothfus, W.E.; Slamovits, T.L.; Kennerdell, J.S.; Curtin, H.D.

    1984-01-01

    The computerized tomographic (CT) scans of 11 consecutive patients with orbital myositis were reviewed to better characterize the CT appearance of this condition. The findings in this series differed from those of previous reports in several ways. Multiple muscle involvement predominated. Bilateral involvement was more frequent than previously reported. Enlargement of the tendon as well as the muscle was a frequent finding, but a normal tendinous insertion did not preclude the diagnosis of orbital myositis. Although the CT appearance of orbital myositis is often helpful, the findings are not pathognomonic; correlation with history, clinical findings, and therapeutic response must be considered in making the diagnosis

  6. Study of aluminum-doped silicon clusters

    Zhan Shichang; Li Baoxing; Yang Jiansong

    2007-01-01

    Using full-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the effect of aluminum heteroatoms on the geometric structures and bond characteristics of Si n (n=5-10) clusters in detail. It is found that the geometric framework of the ground state structures for Si n (n=5-10) clusters change to some extent upon the substitution of Al atoms in some Si atoms. The effect of aluminum doping on the silicon clusters depends on the geometric structures of Si n (n=5-10) clusters. In particular, the calculations suggest that the aluminum doping would improve the bond strength of some Si-Si bonds in the mixed Si n - m Al m clusters

  7. JSC Orbital Debris Website Description

    Johnson, Nicholas L.

    2006-01-01

    Purpose: The website provides information about the NASA Orbital Debris Program Office at JSC, which is the lead NASA center for orbital debris research. It is recognized world-wide for its leadership in addressing orbital debris issues. The NASA Orbital Debris Program Office has taken the international lead in conducting measurements of the environment and in developing the technical consensus for adopting mitigation measures to protect users of the orbital environment. Work at the center continues with developing an improved understanding of the orbital debris environment and measures that can be taken to control its growth. Major Contents: Orbital Debris research is divided into the following five broad efforts. Each area of research contains specific information as follows: 1) Modeling - NASA scientists continue to develop and upgrade orbital debris models to describe and characterize the current and future debris environment. Evolutionary and engineering models are described in detail. Downloadable items include a document in PDF format and executable software. 2) Measurements - Measurements of near-Earth orbital debris are accomplished by conducting ground-based and space-based observations of the orbital debris environment. The data from these sources provide validation of the environment models and identify the presence of new sources. Radar, optical and surface examinations are described. External links to related topics are provided. 3) Protection - Orbital debris protection involves conducting hypervelocity impact measurements to assess the risk presented by orbital debris to operating spacecraft and developing new materials and new designs to provide better protection from the environment with less weight penalty. The data from this work provides the link between the environment defined by the models and the risk presented by that environment to operating spacecraft and provides recommendations on design and operations procedures to reduce the risk as

  8. Non linear system become linear system

    Petre Bucur

    2007-01-01

    Full Text Available The present paper refers to the theory and the practice of the systems regarding non-linear systems and their applications. We aimed the integration of these systems to elaborate their response as well as to highlight some outstanding features.

  9. Linear motor coil assembly and linear motor

    2009-01-01

    An ironless linear motor (5) comprising a magnet track (53) and a coil assembly (50) operating in cooperation with said magnet track (53) and having a plurality of concentrated multi-turn coils (31 a-f, 41 a-d, 51 a-k), wherein the end windings (31E) of the coils (31 a-f, 41 a-e) are substantially

  10. Cost Per Pound From Orbit

    Merriam, M. L.

    2002-01-01

    Traditional studies of Reusable Launch Vehicle (RLV) designs have focused on designs that are completely reusable except for the fuel. This may not be realistic with current technology . An alternate approach is to look at partially reusable launch vehicles. This raises the question of which parts should be reused and which parts should be expendable. One approach is to consider the cost/pound of returning these parts from orbit. With the shuttle, this cost is about three times the cost/pound of launching payload into orbit. A subtle corollary is that RLVs are much less practical for higher orbits, such as the one on which the International Space Station resides, than they are for low earth orbits.

  11. NASA Orbital Debris Baseline Populations

    Krisko, Paula H.; Vavrin, A. B.

    2013-01-01

    The NASA Orbital Debris Program Office has created high fidelity populations of the debris environment. The populations include objects of 1 cm and larger in Low Earth Orbit through Geosynchronous Transfer Orbit. They were designed for the purpose of assisting debris researchers and sensor developers in planning and testing. This environment is derived directly from the newest ORDEM model populations which include a background derived from LEGEND, as well as specific events such as the Chinese ASAT test, the Iridium 33/Cosmos 2251 accidental collision, the RORSAT sodium-potassium droplet releases, and other miscellaneous events. It is the most realistic ODPO debris population to date. In this paper we present the populations in chart form. We describe derivations of the background population and the specific populations added on. We validate our 1 cm and larger Low Earth Orbit population against SSN, Haystack, and HAX radar measurements.

  12. Lidar Orbital Angular Momentum Sensor

    National Aeronautics and Space Administration — The recognition in recent decades that electromagnetic fields have angular momentum (AM) in the form of not only polarization (or spin AM) but also orbital (OAM) has...

  13. Real and Hybrid Atomic Orbitals.

    Cook, D. B.; Fowler, P. W.

    1981-01-01

    Demonstrates that the Schrodinger equation for the hydrogenlike atom separates in both spheroconal and prolate spheroidal coordinates and that these separations provide a sound theoretical basis for the real and hybrid atomic orbitals. (Author/SK)

  14. High Power Orbit Transfer Vehicle

    Gulczinski, Frank

    2003-01-01

    ... from Virginia Tech University and Aerophysics, Inc. to examine propulsion requirements for a high-power orbit transfer vehicle using thin-film voltaic solar array technologies under development by the Space Vehicles Directorate (dubbed PowerSail...

  15. LINEAR AND NONLINEAR CORRECTIONS IN THE RHIC INTERACTION REGIONS

    PILAT, F.; CAMERON, P.; PTITSYN, V.; KOUTCHOUK, J.P.

    2002-01-01

    A method has been developed to measure operationally the linear and non-linear effects of the interaction region triplets, that gives access to the multipole content through the action kick, by applying closed orbit bumps and analyzing tune and orbit shifts. This technique has been extensively tested and used during the RHIC operations in 2001. Measurements were taken at 3 different interaction regions and for different focusing at the interaction point. Non-linear effects up to the dodecapole have been measured as well as the effects of linear, sextupolar and octupolar corrections. An analysis package for the data processing has been developed that through a precise fit of the experimental tune shift data (measured by a phase lock loop technique to better than 10 -5 resolution) determines the multipole content of an IR triplet

  16. Linear collider: a preview

    Wiedemann, H.

    1981-11-01

    Since no linear colliders have been built yet it is difficult to know at what energy the linear cost scaling of linear colliders drops below the quadratic scaling of storage rings. There is, however, no doubt that a linear collider facility for a center of mass energy above say 500 GeV is significantly cheaper than an equivalent storage ring. In order to make the linear collider principle feasible at very high energies a number of problems have to be solved. There are two kinds of problems: one which is related to the feasibility of the principle and the other kind of problems is associated with minimizing the cost of constructing and operating such a facility. This lecture series describes the problems and possible solutions. Since the real test of a principle requires the construction of a prototype I will in the last chapter describe the SLC project at the Stanford Linear Accelerator Center.

  17. Basic linear algebra

    Blyth, T S

    2002-01-01

    Basic Linear Algebra is a text for first year students leading from concrete examples to abstract theorems, via tutorial-type exercises. More exercises (of the kind a student may expect in examination papers) are grouped at the end of each section. The book covers the most important basics of any first course on linear algebra, explaining the algebra of matrices with applications to analytic geometry, systems of linear equations, difference equations and complex numbers. Linear equations are treated via Hermite normal forms which provides a successful and concrete explanation of the notion of linear independence. Another important highlight is the connection between linear mappings and matrices leading to the change of basis theorem which opens the door to the notion of similarity. This new and revised edition features additional exercises and coverage of Cramer's rule (omitted from the first edition). However, it is the new, extra chapter on computer assistance that will be of particular interest to readers:...

  18. Linear collider: a preview

    Wiedemann, H.

    1981-11-01

    Since no linear colliders have been built yet it is difficult to know at what energy the linear cost scaling of linear colliders drops below the quadratic scaling of storage rings. There is, however, no doubt that a linear collider facility for a center of mass energy above say 500 GeV is significantly cheaper than an equivalent storage ring. In order to make the linear collider principle feasible at very high energies a number of problems have to be solved. There are two kinds of problems: one which is related to the feasibility of the principle and the other kind of problems is associated with minimizing the cost of constructing and operating such a facility. This lecture series describes the problems and possible solutions. Since the real test of a principle requires the construction of a prototype I will in the last chapter describe the SLC project at the Stanford Linear Accelerator Center

  19. Topological imprint for periodic orbits

    Martín, Jesús San; Moscoso, Ma José; Gómez, A González

    2012-01-01

    The more self-crossing points an orbit has the more complex it is. We introduce the topological imprint to characterize crossing points and focus on the period-doubling cascade. The period-doubling cascade topological imprint determines the topological imprint for orbits in chaotic bands. In addition, there is a closer link between this concept and the braids studied by Lettelier et al (2000 J. Phys. A: Math. Gen. 33 1809–25). (paper)

  20. Periodic orbits of solar sail equipped with reflectance control device in Earth-Moon system

    Yuan, Jianping; Gao, Chen; Zhang, Junhua

    2018-02-01

    In this paper, families of Lyapunov and halo orbits are presented with a solar sail equipped with a reflectance control device in the Earth-Moon system. System dynamical model is established considering solar sail acceleration, and four solar sail steering laws and two initial Sun-sail configurations are introduced. The initial natural periodic orbits with suitable periods are firstly identified. Subsequently, families of solar sail Lyapunov and halo orbits around the L1 and L2 points are designed with fixed solar sail characteristic acceleration and varying reflectivity rate and pitching angle by the combination of the modified differential correction method and continuation approach. The linear stabilities of solar sail periodic orbits are investigated, and a nonlinear sliding model controller is designed for station keeping. In addition, orbit transfer between the same family of solar sail orbits is investigated preliminarily to showcase reflectance control device solar sail maneuver capability.

  1. Matrices and linear transformations

    Cullen, Charles G

    1990-01-01

    ""Comprehensive . . . an excellent introduction to the subject."" - Electronic Engineer's Design Magazine.This introductory textbook, aimed at sophomore- and junior-level undergraduates in mathematics, engineering, and the physical sciences, offers a smooth, in-depth treatment of linear algebra and matrix theory. The major objects of study are matrices over an arbitrary field. Contents include Matrices and Linear Systems; Vector Spaces; Determinants; Linear Transformations; Similarity: Part I and Part II; Polynomials and Polynomial Matrices; Matrix Analysis; and Numerical Methods. The first

  2. Efficient Non Linear Loudspeakers

    Petersen, Bo R.; Agerkvist, Finn T.

    2006-01-01

    Loudspeakers have traditionally been designed to be as linear as possible. However, as techniques for compensating non linearities are emerging, it becomes possible to use other design criteria. This paper present and examines a new idea for improving the efficiency of loudspeakers at high levels...... by changing the voice coil layout. This deliberate non-linear design has the benefit that a smaller amplifier can be used, which has the benefit of reducing system cost as well as reducing power consumption....

  3. Linear models with R

    Faraway, Julian J

    2014-01-01

    A Hands-On Way to Learning Data AnalysisPart of the core of statistics, linear models are used to make predictions and explain the relationship between the response and the predictors. Understanding linear models is crucial to a broader competence in the practice of statistics. Linear Models with R, Second Edition explains how to use linear models in physical science, engineering, social science, and business applications. The book incorporates several improvements that reflect how the world of R has greatly expanded since the publication of the first edition.New to the Second EditionReorganiz

  4. Linear integrated circuits

    Carr, Joseph

    1996-01-01

    The linear IC market is large and growing, as is the demand for well trained technicians and engineers who understand how these devices work and how to apply them. Linear Integrated Circuits provides in-depth coverage of the devices and their operation, but not at the expense of practical applications in which linear devices figure prominently. This book is written for a wide readership from FE and first degree students, to hobbyists and professionals.Chapter 1 offers a general introduction that will provide students with the foundations of linear IC technology. From chapter 2 onwa

  5. Fault tolerant linear actuator

    Tesar, Delbert

    2004-09-14

    In varying embodiments, the fault tolerant linear actuator of the present invention is a new and improved linear actuator with fault tolerance and positional control that may incorporate velocity summing, force summing, or a combination of the two. In one embodiment, the invention offers a velocity summing arrangement with a differential gear between two prime movers driving a cage, which then drives a linear spindle screw transmission. Other embodiments feature two prime movers driving separate linear spindle screw transmissions, one internal and one external, in a totally concentric and compact integrated module.

  6. Superconducting linear accelerator cryostat

    Ben-Zvi, I.; Elkonin, B.V.; Sokolowski, J.S.

    1984-01-01

    A large vertical cryostat for a superconducting linear accelerator using quarter wave resonators has been developed. The essential technical details, operational experience and performance are described. (author)

  7. Microscopic theory of ultrafast spin linear reversal

    Zhang, G P, E-mail: gpzhang@indstate.edu [Department of Physics, Indiana State University, Terre Haute, IN 47809 (United States)

    2011-05-25

    A recent experiment (Vahaplar et al 2009 Phys. Rev. Lett. 103 117201) showed that a single femtosecond laser can reverse the spin direction without spin precession, or spin linear reversal (SLR), but its microscopic theory has been missing. Here we show that SLR does not occur naturally. Two generic spin models, the Heisenberg and Hubbard models, are employed to describe magnetic insulators and metals, respectively. We find analytically that the spin change is always accompanied by a simultaneous excitation of at least two spin components. The only model that has prospects for SLR is the Stoner single-electron band model. However, under the influence of the laser field, the orbital angular momenta are excited and are coupled to each other. If a circularly polarized light is used, then all three components of the orbital angular momenta are excited, and so are their spins. The generic spin commutation relation further reveals that if SLR exists, it must involve a complicated multiple state excitation.

  8. Orbital angular momentum of general astigmatic modes

    Visser, Jorrit; Nienhuis, Gerard

    2004-01-01

    We present an operator method to obtain complete sets of astigmatic Gaussian solutions of the paraxial wave equation. In case of general astigmatism, the astigmatic intensity and phase distribution of the fundamental mode differ in orientation. As a consequence, the fundamental mode has a nonzero orbital angular momentum, which is not due to phase singularities. Analogous to the operator method for the quantum harmonic oscillator, the corresponding astigmatic higher-order modes are obtained by repeated application of raising operators on the fundamental mode. The nature of the higher-order modes is characterized by a point on a sphere, in analogy with the representation of polarization on the Poincare sphere. The north and south poles represent astigmatic Laguerre-Gaussian modes, similar to circular polarization on the Poincare sphere, while astigmatic Hermite-Gaussian modes are associated with points on the equator, analogous to linear polarization. We discuss the propagation properties of the modes and their orbital angular momentum, which depends on the degree of astigmatism and on the location of the point on the sphere

  9. Linearity enigmas in ecology

    Patten, B.C.

    1983-04-01

    Two issues concerning linearity or nonlinearity of natural systems are considered. Each is related to one of the two alternative defining properties of linear systems, superposition and decomposition. Superposition exists when a linear combination of inputs to a system results in the same linear combination of outputs that individually correspond to the original inputs. To demonstrate this property it is necessary that all initial states and inputs of the system which impinge on the output in question be included in the linear combination manipulation. As this is difficult or impossible to do with real systems of any complexity, nature appears nonlinear even though it may be linear. A linear system that displays nonlinear behavior for this reason is termed pseudononlinear. The decomposition property exists when the dynamic response of a system can be partitioned into an input-free portion due to state plus a state-free portion due to input. This is a characteristic of all linear systems, but not of nonlinear systems. Without the decomposition property, it is not possible to distinguish which portions of a system's behavior are due to innate characteristics (self) vs. outside conditions (environment), which is an important class of questions in biology and ecology. Some philosophical aspects of these findings are then considered. It is suggested that those ecologists who hold to the view that organisms and their environments are separate entities are in effect embracing a linear view of nature, even though their belief systems and mathematical models tend to be nonlinear. On the other hand, those who consider that organism-environment complex forms a single inseparable unit are implictly involved in non-linear thought, which may be in conflict with the linear modes and models that some of them use. The need to rectify these ambivalences on the part of both groups is indicated.

  10. Space Tourism: Orbital Debris Considerations

    Mahmoudian, N.; Shajiee, S.; Moghani, T.; Bahrami, M.

    2002-01-01

    Space activities after a phase of research and development, political competition and national prestige have entered an era of real commercialization. Remote sensing, earth observation, and communication are among the areas in which this growing industry is facing competition and declining government money. A project like International Space Station, which draws from public money, has not only opened a window of real multinational cooperation, but also changed space travel from a mere fantasy into a real world activity. Besides research activities for sending man to moon and Mars and other outer planets, space travel has attracted a considerable attention in recent years in the form of space tourism. Four countries from space fairing nations are actively involved in the development of space tourism. Even, nations which are either in early stages of space technology development or just beginning their space activities, have high ambitions in this area. This is worth noting considering their limited resources. At present, trips to space are available, but limited and expensive. To move beyond this point to generally available trips to orbit and week long stays in LEO, in orbital hotels, some of the required basic transportations, living requirements, and technological developments required for long stay in orbit are already underway. For tourism to develop to a real everyday business, not only the price has to come down to meaningful levels, but also safety considerations should be fully developed to attract travelers' trust. A serious hazard to space activities in general and space tourism in particular is space debris in earth orbit. Orbiting debris are man-made objects left over by space operations, hazardous to space missions. Since the higher density of debris population occurs in low earth orbit, which is also the same orbit of interest to space tourism, a careful attention should be paid to the effect of debris on tourism activities. In this study, after a

  11. Angles-only relative orbit determination in low earth orbit

    Ardaens, Jean-Sébastien; Gaias, Gabriella

    2018-06-01

    The paper provides an overview of the angles-only relative orbit determination activities conducted to support the Autonomous Vision Approach Navigation and Target Identification (AVANTI) experiment. This in-orbit endeavor was carried out by the German Space Operations Center (DLR/GSOC) in autumn 2016 to demonstrate the capability to perform spaceborne autonomous close-proximity operations using solely line-of-sight measurements. The images collected onboard have been reprocessed by an independent on-ground facility for precise relative orbit determination, which served as ultimate instance to monitor the formation safety and to characterize the onboard navigation and control performances. During two months, several rendezvous have been executed, generating a valuable collection of images taken at distances ranging from 50 km to only 50 m. Despite challenging experimental conditions characterized by a poor visibility and strong orbit perturbations, angles-only relative positioning products could be continuously derived throughout the whole experiment timeline, promising accuracy at the meter level during the close approaches. The results presented in the paper are complemented with former angles-only experience gained with the PRISMA satellites to better highlight the specificities induced by different orbits and satellite designs.

  12. An Orbit Propagation Software for Mars Orbiting Spacecraft

    Young-Joo Song

    2004-12-01

    Full Text Available An orbit propagation software for the Mars orbiting spacecraft has been developed and verified in preparations for the future Korean Mars missions. Dynamic model for Mars orbiting spacecraft has been studied, and Mars centered coordinate systems are utilized to express spacecraft state vectors. Coordinate corrections to the Mars centered coordinate system have been made to adjust the effects caused by Mars precession and nutation. After spacecraft enters Sphere of Influence (SOI of the Mars, the spacecraft experiences various perturbation effects as it approaches to Mars. Every possible perturbation effect is considered during integrations of spacecraft state vectors. The Mars50c gravity field model and the Mars-GRAM 2001 model are used to compute perturbation effects due to Mars gravity field and Mars atmospheric drag, respectively. To compute exact locations of other planets, JPL's DE405 ephemerides are used. Phobos and Deimos's ephemeris are computed using analytical method because their informations are not released with DE405. Mars Global Surveyor's mapping orbital data are used to verify the developed propagator performances. After one Martian day propagation (12 orbital periods, the results show about maximum ±5 meter errors, in every position state components(radial, cross-track and along-track, when compared to these from the Astrogator propagation in the Satellite Tool Kit. This result shows high reliability of the developed software which can be used to design near Mars missions for Korea, in future.

  13. Tunnel current across linear homocatenated germanium chains

    Matsuura, Yukihito

    2014-01-01

    The electronic transport properties of germanium oligomers catenating into linear chains (linear Ge chains) have been theoretically studied using first principle methods. The conduction mechanism of a Ge chain sandwiched between gold electrodes was analyzed based on the density of states and the eigenstates of the molecule in a two-probe environment. Like that of silicon chains (Si chains), the highest occupied molecular orbital of Ge chains contains the extended σ-conjugation of Ge 4p orbitals at energy levels close to the Fermi level; this is in contrast to the electronic properties of linear carbon chains. Furthermore, the conductance of a Ge chain is expected to decrease exponentially with molecular length L. The decay constant β, which is defined as e −βL , of a Ge chain is similar to that of a Si chain, whereas the conductance of the Ge chains is higher than that of Si chains even though the Ge–Ge bond length is longer than the Si–Si bond length

  14. Linear colliders - prospects 1985

    Rees, J.

    1985-06-01

    We discuss the scaling laws of linear colliders and their consequences for accelerator design. We then report on the SLAC Linear Collider project and comment on experience gained on that project and its application to future colliders. 9 refs., 2 figs

  15. The SLAC linear collider

    Richter, B.

    1985-01-01

    A report is given on the goals and progress of the SLAC Linear Collider. The author discusses the status of the machine and the detectors and give an overview of the physics which can be done at this new facility. He also gives some ideas on how (and why) large linear colliders of the future should be built

  16. Linear Programming (LP)

    Rogner, H.H.

    1989-01-01

    The submitted sections on linear programming are extracted from 'Theorie und Technik der Planung' (1978) by W. Blaas and P. Henseler and reformulated for presentation at the Workshop. They consider a brief introduction to the theory of linear programming and to some essential aspects of the SIMPLEX solution algorithm for the purposes of economic planning processes. 1 fig

  17. Racetrack linear accelerators

    Rowe, C.H.; Wilton, M.S. de.

    1979-01-01

    An improved recirculating electron beam linear accelerator of the racetrack type is described. The system comprises a beam path of four straight legs with four Pretzel bending magnets at the end of each leg to direct the beam into the next leg of the beam path. At least one of the beam path legs includes a linear accelerator. (UK)

  18. Response to letter “Electron correlation and relativity of the 5f electrons in the U−Zr alloy system”

    Xie, Wei [Materials Science Program, University of Wisconsin-Madison, Madison, WI 53706 (United States); Marianetti, Chris A. [Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027 (United States); Morgan, Dane, E-mail: ddmorgan@wisc.edu [Materials Science Program, University of Wisconsin-Madison, Madison, WI 53706 (United States); Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, WI 53706 (United States)

    2016-08-01

    In the Letter [Söderlind et al., J. Nucl. Mater. 444, 356 (2014)], Söderlind et al. state their interpretation that 1) we view electron correlation to be strong and including spin-orbit coupling (SOC) to be necessary for U metal and U−Zr alloy in our article [Xiong et al., J. Nucl. Mater. 443, 331 (2013)]. Further, they argue that 2) density functional theory (DFT) without adding the Hubbard U potential, especially when solved using all electron methods, already models U and U−Zr accurately, and 3) adding the Hubbard U potential to DFT in DFT + U models U and U−Zr worse than DFT according to volume, bulk modulus, and magnetic moments predicted from their calculations of the γU phase of elemental U metal. With respect to Söderlind et al.’s interpretation 1), we clarify that our opinions are that U and U−Zr are not strongly, but weakly to moderately correlated and that including SOC is beneficial but not necessary for modeling most ground state properties of U and U−Zr. With respect to Söderlind et al.’s argument 2) we demonstrate that previously neglected and very recent experimental data suggest that DFT in Söderlind's full-potential linear muffin-tin orbital calculations [Söderlind, Phys. Rev. B 66, 085113 (2002)] in fact models the bulk modulus and elastic constants of αU with errors considerably larger than other related elements, e.g., most transition metals. With respect to Söderlind et al.’s argument 3) we argue that they have inappropriately focused on just one phase (the BCC γU phase of U metal), neglecting the other phases which represent the majority of our evidence, and made overgeneralizations based on results at only one U{sub eff} value of 2 eV. We therefore maintain our original conclusion that the accuracy of DFT for modeling U and U−Zr has room for improvement and DFT + U can be of value for this purpose on at least some ground state properties.

  19. The complex metal-rich boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68, y=1.06) with a new structure type containing B{sub 4} zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

    Goerens, Christian [Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52064 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52064 Aachen (Germany)

    2012-08-15

    Polycrystalline samples and single crystals of the new complex boride Ti{sub 1+x}Rh{sub 2-x+y}Ir{sub 3-y}B{sub 3} (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B{sub 4} fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) A, b=14.995(2) A and c=3.234(1) A. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B{sub 4} fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior. - graphical abstract: The structure of Ti{sub 1.68(2)}Rh{sub 2.38(6)}Ir{sub 1.94(4)} B{sub 3}, a new structure type containing planar trans zigzag B{sub 4} units, is another example which illustrates the tendency of metal-rich borides to form B-B bonds with increasing boron content. Beside the B{sub 4} fragment it exhibits one-dimensional chains of titanium atoms and hold one-dimensional strings of face-sharing empty tetrahedral and square pyramidal clusters (see figure). Highlights

  20. Structure and Chemical Bonding of the Li-Doped Polar Intermetallic RE2In1−xLixGe2 (RE = La, Nd, Sm, Gd; x = 0.13, 0.28, 0.43, 0.53 System

    Junsu Lee

    2018-03-01

    Full Text Available Four polar intermetallic compounds belonging to the RE2In1−xLixGe2 (RE = La, Nd, Sm, Gd; x = 0.13(1, 0.28(1, 0.43(1, 0.53(1 system have been synthesized by the traditional solid-state reaction method, and their crystal structures have been characterized by single-crystal X-ray diffraction (SXRD analyses. The isotypic crystal structures of four title compounds adopt the Mo2FeB2-type structure having the tetragonal space group P4/mbm (Z = 2, Pearson code tP40 with three crystallographically independent atomic sites and can be simply described as a pile of the identical 2-dimensioanl (2D RE2In1-xLixGe2 slabs stacked along the c-axis direction. The substituting Li atom shows a particular site preference for replacing In at the Wyckoff 2a site rather than Ge at the Wyckoff 4g in this crystal structure. As the size of a used rare-earth metal decreases from La3+ to Gd3+ throughout the title system, the Ge-Ge and Ge-In/Li bond distances, both of which consist of the 2D anionic Ge2(In/Li layer, gradually decrease resulting in the reduction of a unit cell volume. A series of theoretical investigations has been performed using a hypothetical structure model Gd2In0.5Li0.5Ge2 by tight-binding linear muffin-tin orbital (TB-LMTO method. The resultant densities of states (DOS value at the Fermi level (EF suggests a metallic conductivity for this particular composition, and this calculation result is in a good agreement with the formal charge distribution assigning two extra valence electrons for a metal-metal bond in the conduction band. The thorough analyses of six crystal orbital Hamilton population (COHP curves representing various interatomic interactions and an electron localization function (ELF diagram indicating the locations of paired-electron densities are also provided in this article.

  1. Semidefinite linear complementarity problems

    Eckhardt, U.

    1978-04-01

    Semidefinite linear complementarity problems arise by discretization of variational inequalities describing e.g. elastic contact problems, free boundary value problems etc. In the present paper linear complementarity problems are introduced and the theory as well as the numerical treatment of them are described. In the special case of semidefinite linear complementarity problems a numerical method is presented which combines the advantages of elimination and iteration methods without suffering from their drawbacks. This new method has very attractive properties since it has a high degree of invariance with respect to the representation of the set of all feasible solutions of a linear complementarity problem by linear inequalities. By means of some practical applications the properties of the new method are demonstrated. (orig.) [de

  2. Linear algebra done right

    Axler, Sheldon

    2015-01-01

    This best-selling textbook for a second course in linear algebra is aimed at undergrad math majors and graduate students. The novel approach taken here banishes determinants to the end of the book. The text focuses on the central goal of linear algebra: understanding the structure of linear operators on finite-dimensional vector spaces. The author has taken unusual care to motivate concepts and to simplify proofs. A variety of interesting exercises in each chapter helps students understand and manipulate the objects of linear algebra. The third edition contains major improvements and revisions throughout the book. More than 300 new exercises have been added since the previous edition. Many new examples have been added to illustrate the key ideas of linear algebra. New topics covered in the book include product spaces, quotient spaces, and dual spaces. Beautiful new formatting creates pages with an unusually pleasant appearance in both print and electronic versions. No prerequisites are assumed other than the ...

  3. Orbital dynamics in a storage ring with electrostatic bending

    Mane, S.R.

    2008-01-01

    A storage ring where electrostatic fields contribute to the bending and focusing of the orbital motion has some novel features because, unlike a magnetostatic field, an electrostatic field can change the kinetic energy of the particles. I present analytical formulas to calculate the linear focusing gradient, dispersion, momentum compaction and natural chromaticity for a storage ring with a radial electrostatic field. I solve the formulas explicitly for a weak focusing model.

  4. Spectral properties of near-Earth asteroids on cometary orbits

    Popescu, M.; Vaduvescu, O.; de Leon, J.; Boaca, I. L.; Gherase, R. M.; Nedelcu, D. A.; INT students, I. N. G.

    2017-09-01

    We studied the spectral distributions of near-Earth asteroids on cometary orbits (NEACOs) in order to identify potential dormant or extinct comets among these objects. We present the spectral observations for 19 NEACOs obtained with Isaac Newton Telescope and Infrared Telescope Facility (IRTF). Although initially classified as asteroid, one of our targets - 2007 VA85 was confirmed to be active comet 333P/LINEAR on its 2016 appearance. We found that the NEACOs population is a mixing of different compositional classes.

  5. An evaluation of supervoltage orbital irradiation for Graves' opthalmopathy

    Teng, C.S.; Crombie, A.L.; Hall, R.; Ross, W.M.

    1980-01-01

    Twenty patients with moderately severe ophthalmopathy due to Graves' disease or ophtalmic Graves' disease were treated by supervoltage orbital radiotherapy generated by a linear accelerator. Seven patients (35%) showed some response within 3 weeks of the treatment, four patients (20%) improved minimally while nine patients (45%) were unchanged. Improvement was noted mainly in soft tissue changes while proptosis decreased in only four patients. With one exception, ophthalmoplegia did not improve after the radiotherapy. The benefit obtained with the treatment was not impressive. (author)

  6. Application of Unscented Kalman Filter in Satellite Orbit Simulation

    ZHAO Dongming; CAI Zhiwu

    2006-01-01

    A new estimate method is proposed, which takes advantage of the unscented transform method, thus the true mean and covariance are approximated more accurately. The new method can be applied to non-linear systems without the linearization process necessary for the EKF, and it does not demand a Gaussian distribution of noise and what's more, its ease of implementation and more accurate estimation features enables it to demonstrate its good performance in the experiment of satellite orbit simulation. Numerical experiments show that the application of the unscented Kalman filter is more effective than the EKF.

  7. Handbook on linear motor application

    1988-10-01

    This book guides the application for Linear motor. It lists classification and speciality of Linear Motor, terms of linear-induction motor, principle of the Motor, types on one-side linear-induction motor, bilateral linear-induction motor, linear-DC Motor on basic of the motor, linear-DC Motor for moving-coil type, linear-DC motor for permanent-magnet moving type, linear-DC motor for electricity non-utility type, linear-pulse motor for variable motor, linear-pulse motor for permanent magneto type, linear-vibration actuator, linear-vibration actuator for moving-coil type, linear synchronous motor, linear electromagnetic motor, linear electromagnetic solenoid, technical organization and magnetic levitation and linear motor and sensor.

  8. Is orbital volume associated with eyeball and visual cortex volume in humans?

    Pearce, Eiluned; Bridge, Holly

    2013-01-01

    In humans orbital volume increases linearly with absolute latitude. Scaling across mammals between visual system components suggests that these larger orbits should translate into larger eyes and visual cortices in high latitude humans. Larger eyes at high latitudes may be required to maintain adequate visual acuity and enhance visual sensitivity under lower light levels. To test the assumption that orbital volume can accurately index eyeball and visual cortex volumes specifically in humans. Structural Magnetic Resonance Imaging (MRI) techniques are employed to measure eye and orbit (n = 88) and brain and visual cortex (n = 99) volumes in living humans. Facial dimensions and foramen magnum area (a proxy for body mass) were also measured. A significant positive linear relationship was found between (i) orbital and eyeball volumes, (ii) eyeball and visual cortex grey matter volumes and (iii) different visual cortical areas, independently of overall brain volume. In humans the components of the visual system scale from orbit to eye to visual cortex volume independently of overall brain size. These findings indicate that orbit volume can index eye and visual cortex volume in humans, suggesting that larger high latitude orbits do translate into larger visual cortices.

  9. Linear ubiquitination in immunity.

    Shimizu, Yutaka; Taraborrelli, Lucia; Walczak, Henning

    2015-07-01

    Linear ubiquitination is a post-translational protein modification recently discovered to be crucial for innate and adaptive immune signaling. The function of linear ubiquitin chains is regulated at multiple levels: generation, recognition, and removal. These chains are generated by the linear ubiquitin chain assembly complex (LUBAC), the only known ubiquitin E3 capable of forming the linear ubiquitin linkage de novo. LUBAC is not only relevant for activation of nuclear factor-κB (NF-κB) and mitogen-activated protein kinases (MAPKs) in various signaling pathways, but importantly, it also regulates cell death downstream of immune receptors capable of inducing this response. Recognition of the linear ubiquitin linkage is specifically mediated by certain ubiquitin receptors, which is crucial for translation into the intended signaling outputs. LUBAC deficiency results in attenuated gene activation and increased cell death, causing pathologic conditions in both, mice, and humans. Removal of ubiquitin chains is mediated by deubiquitinases (DUBs). Two of them, OTULIN and CYLD, are constitutively associated with LUBAC. Here, we review the current knowledge on linear ubiquitination in immune signaling pathways and the biochemical mechanisms as to how linear polyubiquitin exerts its functions distinctly from those of other ubiquitin linkage types. © 2015 The Authors. Immunological Reviews Published by John Wiley & Sons Ltd.

  10. The Eccentric Behavior of Nearly Frozen Orbits

    Sweetser, Theodore H.; Vincent, Mark A.

    2013-01-01

    Frozen orbits are orbits which have only short-period changes in their mean eccentricity and argument of periapse, so that they basically keep a fixed orientation within their plane of motion. Nearly frozen orbits are those whose eccentricity and argument of periapse have values close to those of a frozen orbit. We call them "nearly" frozen because their eccentricity vector (a vector whose polar coordinates are eccentricity and argument of periapse) will stay within a bounded distance from the frozen orbit eccentricity vector, circulating around it over time. For highly inclined orbits around the Earth, this distance is effectively constant over time. Furthermore, frozen orbit eccentricity values are low enough that these orbits are essentially eccentric (i.e., off center) circles, so that nearly frozen orbits around Earth are bounded above and below by frozen orbits.

  11. Linearizing W-algebras

    Krivonos, S.O.; Sorin, A.S.

    1994-06-01

    We show that the Zamolodchikov's and Polyakov-Bershadsky nonlinear algebras W 3 and W (2) 3 can be embedded as subalgebras into some linear algebras with finite set of currents. Using these linear algebras we find new field realizations of W (2) 3 and W 3 which could be a starting point for constructing new versions of W-string theories. We also reveal a number of hidden relationships between W 3 and W (2) 3 . We conjecture that similar linear algebras can exist for other W-algebra as well. (author). 10 refs

  12. Matrices and linear algebra

    Schneider, Hans

    1989-01-01

    Linear algebra is one of the central disciplines in mathematics. A student of pure mathematics must know linear algebra if he is to continue with modern algebra or functional analysis. Much of the mathematics now taught to engineers and physicists requires it.This well-known and highly regarded text makes the subject accessible to undergraduates with little mathematical experience. Written mainly for students in physics, engineering, economics, and other fields outside mathematics, the book gives the theory of matrices and applications to systems of linear equations, as well as many related t

  13. Linearity in Process Languages

    Nygaard, Mikkel; Winskel, Glynn

    2002-01-01

    The meaning and mathematical consequences of linearity (managing without a presumed ability to copy) are studied for a path-based model of processes which is also a model of affine-linear logic. This connection yields an affine-linear language for processes, automatically respecting open......-map bisimulation, in which a range of process operations can be expressed. An operational semantics is provided for the tensor fragment of the language. Different ways to make assemblies of processes lead to different choices of exponential, some of which respect bisimulation....

  14. Elements of linear space

    Amir-Moez, A R; Sneddon, I N

    1962-01-01

    Elements of Linear Space is a detailed treatment of the elements of linear spaces, including real spaces with no more than three dimensions and complex n-dimensional spaces. The geometry of conic sections and quadric surfaces is considered, along with algebraic structures, especially vector spaces and transformations. Problems drawn from various branches of geometry are given.Comprised of 12 chapters, this volume begins with an introduction to real Euclidean space, followed by a discussion on linear transformations and matrices. The addition and multiplication of transformations and matrices a

  15. Applied linear regression

    Weisberg, Sanford

    2013-01-01

    Praise for the Third Edition ""...this is an excellent book which could easily be used as a course text...""-International Statistical Institute The Fourth Edition of Applied Linear Regression provides a thorough update of the basic theory and methodology of linear regression modeling. Demonstrating the practical applications of linear regression analysis techniques, the Fourth Edition uses interesting, real-world exercises and examples. Stressing central concepts such as model building, understanding parameters, assessing fit and reliability, and drawing conclusions, the new edition illus

  16. The method of coadjoint orbits

    Delius, G.W.; Van Nieuwenhuizen, P.; Rodgers, V.G.J.

    1990-01-01

    The method of coadjoint orbits produces for any infinite dimensional Lie (super) algebra A with nontrivial central charge an action for scalar (super) fields which has at least the symmetry A. In this article, the authors try to make this method accessible to a larger audience by analyzing several examples in more detail than in the literature. After working through the Kac-Moody and Virasoro cases, we apply the method to the super Virasoro algebra and reobtain the super-symmetric extension of Polyakov's local nonpolynomial action for two-dimensional quantum gravity. As in the Virasoro case this action corresponds to the coadjoint orbit of a pure central extension. The authors further consider the actions corresponding to the other orbits of the super Virasoro algebra. As a new result the authors construct the actions for the N = 2 super Virasoro algebra

  17. Gravity Probe B orbit determination

    Shestople, P; Ndili, A; Parkinson, B W; Small, H; Hanuschak, G

    2015-01-01

    The Gravity Probe B (GP-B) satellite was equipped with a pair of redundant Global Positioning System (GPS) receivers used to provide navigation solutions for real-time and post-processed orbit determination (OD), as well as to establish the relation between vehicle time and coordinated universal time. The receivers performed better than the real-time position requirement of 100 m rms per axis. Post-processed solutions indicated an rms position error of 2.5 m and an rms velocity error of 2.2 mm s −1 . Satellite laser ranging measurements provided independent verification of the GPS-derived GP-B orbit. We discuss the modifications and performance of the Trimble Advance Navigation System Vector III GPS receivers. We describe the GP-B precision orbit and detail the OD methodology, including ephemeris errors and the laser ranging measurements. (paper)

  18. MRI of orbital hydroxyapatite implants

    Flanders, A.E.; De Potter P.; Rao, V.M.; Tom, B.M.; Shields, C.L.; Shields, J.A.

    1996-01-01

    Our aim was to use MRI for the postsurgical assessment of a new form of integrated orbital implant composed of a porous calcium phosphate hydroxyapatite substrate. We studied ten patients 24-74 years of age who underwent enucleation and implantation of a hydroxyapatite ball; 5-13 months after surgery, each patient was examined by spin-echo MRI, with fat suppression and gadolinium enhancement. Fibrovascular ingrowth was demonstrated in all ten patients as areas of enhancement at the periphery of the hydroxyapatite sphere that extended to the center to a variable degree. The radiologist should aware of the MRI appearances of the coralline hydroxyapatite orbital implant since it is now widely used following enucleation. MRI is a useful means to determine successful incorporation of the substrate into the orbital tissues. The normal pattern of contrast enhancement should not be mistaken for recurrent tumor or infection. (orig.)

  19. Orbits on bodies of rotation

    Schröer, H.

    Orbits of small balls on revolutions solid shells are examined. Which velocity is necessary to stay in balance? The angular velocity remains constant. General revolution solid, revolution cone, revolution ellipsoid, ball, paraboloid and hyperboloid are treated. Chapter 1 represents the frictionless case. Chapter 2 deals with the friction case. The transformation from velocity to the belonging orbit height is calculated in chapter 3. In chapter 4 and 5 the macro revolution solids follow (without and with friction)is treated. The assumption of a homogeneous field is not possible here. The radial gravitational field must be used. In the last chapter we have orbits with non constant angular velocity that can be derived with the Lagrange-equations of the second kind in the frictionless case. Here is also possible to view different revolution solids. The book is recommended to all experimental-, theoretical and mathematical physicists. There is an english and a german edition.

  20. Orbital periods of recurrent novae

    Schaefer, B.E.

    1990-01-01

    The class of recurrent novae (RN) with thermonuclear runaways contains only three systems (T Pyx, U Sco, and V394 CrA), for which no orbital periods are known. This paper presents a series of photometric observations where the orbital periods for all three systems are discovered. T Pyx is found to have sinusoidal modulation with an amplitude of 0.08 mag and a period of 2.3783 h (with a possible alias of 2.6403 h). U Sco is found to be an eclipsing system with an eclipse amplitude of roughly 1.5 mag and an orbital period of 1.2344 days. V394 CrA is found to have sinusoidal modulation with an amplitude of 0.5 mag and a period of 0.7577 days. Thus two out of three RN with thermonuclear runaways (or five out of six for all RN) have evolved companions. 16 refs

  1. MR imaging of orbital disease

    Yamashita, Yasuyuki; Sato, Ryuiti; Sakamoto, Yuji; Kojima, Ryutaro; Takahashi, Mutsumasa; Maruoka, Syouko; Okamura, Ryoichi; Oguni, Tatsuro.

    1989-05-01

    Sixty five cases with orbital and ocular lesions were evaluated by MRI in comparison with high resolution CT. MRI was performed with spin echo techniques (short TR/TE and long TR/TE) using a 0.22 tesla resistive unit (Toshiba MRT-22A) or a 1.5 tesla superconductive unit (Siemens Magnetom). MRI was superior to CT in (1) detecting ocular lesions and vitreous changes, (2) differentiating a tumor from the adjacent extraocular muscles and optic nerves, (3) identifying the lesion in the orbital apex and demonstrating the posterior extent of the tumor and (4) detecting the abnormal flow in the orbital vascular structures. Although some tumors had specific signal intensities including hemangioma, menigioma, and pseudotumor, majority of tumors revealed non-sepcific signal intensities. CT was superior to MRI in detection for small and calcified lesions as well as visualization of bone details. (author).

  2. Orbital computed tomography for exophthalmos

    Kim, Ok Keun; Lee, Hyun; Sol, Chang Hyo; Kim, Byung Soo

    1987-01-01

    Since exophthalmos is caused by any decrease in the size of bony orbit or occurrence of mass within the rigid orbit, the accurate diagnosis of its causes are essential in determining the therapeutic aims. Exophthalmos is one of the important signs being the indication for orbital computed tomography along with periorbital swelling, visual loss, orbital trauma and diplopia. CT as the diagnostic tool for the cause of exophthalmos not only displays a superb role with uncomparable quality in comparison to any conventional diagnostic methods but also has a decisive role in determining the therapeutic aims and the appropriate operative method when the operation is indicated. The orbital CT was performed from May in 1983 to May in 1985 whose with chief complaints were exophthalmos and 23 cases were confirmed by operation, biopsy, clinical progression or other diagnostic procedures. Here was report thoroughly analyzed 23 cases. The results were as follows : 1. The etiologic disease of exophthalmos were 6 cases of pseudotumor, 4 cases of thyroid ophthalmopathy, 4 cases of maxill ary sinus and nasal cavity Ca., 3 cases of mucocele and 1 case of alveolar soft part sarcoma, osteoma, dermoid cyst, pleomorphic adenoma, meningioma, and C.C.F. each. 2. The origin of the etiologic diseases of exophthalmos were 13 cases of primary within bony orbit and 10 cases of secondary from adjacent structure. 3. The site of lesions were 11 cases of intraconal and extraconal, 10 cases of extraconal, and 2 cases of intraconal origin. 4. The degree of exophthalmos in CT scan was in proportion to the volume of the mass except in the case of thyroid ophthalmopathy. The upper limit of normal range by CT scan using regression line equation was 16.2 mm in approximation. 5. CT was a very useful diagnostic tool in the accurate assessment of the kinds of lesion, its location, and its relationship to adjacent structures in the diagnosis of etiologic diseases of exophthalmos

  3. Orbital computed tomography for exophthalmos

    Kim, Ok Keun; Lee, Hyun; Sol, Chang Hyo; Kim, Byung Soo [College of Medicine, Pusan National University, Busan (Korea, Republic of)

    1987-06-15

    Since exophthalmos is caused by any decrease in the size of bony orbit or occurrence of mass within the rigid orbit, the accurate diagnosis of its causes are essential in determining the therapeutic aims. Exophthalmos is one of the important signs being the indication for orbital computed tomography along with periorbital swelling, visual loss, orbital trauma and diplopia. CT as the diagnostic tool for the cause of exophthalmos not only displays a superb role with uncomparable quality in comparison to any conventional diagnostic methods but also has a decisive role in determining the therapeutic aims and the appropriate operative method when the operation is indicated. The orbital CT was performed from May in 1983 to May in 1985 whose with chief complaints were exophthalmos and 23 cases were confirmed by operation, biopsy, clinical progression or other diagnostic procedures. Here was report thoroughly analyzed 23 cases. The results were as follows : 1. The etiologic disease of exophthalmos were 6 cases of pseudotumor, 4 cases of thyroid ophthalmopathy, 4 cases of maxill ary sinus and nasal cavity Ca., 3 cases of mucocele and 1 case of alveolar soft part sarcoma, osteoma, dermoid cyst, pleomorphic adenoma, meningioma, and C.C.F. each. 2. The origin of the etiologic diseases of exophthalmos were 13 cases of primary within bony orbit and 10 cases of secondary from adjacent structure. 3. The site of lesions were 11 cases of intraconal and extraconal, 10 cases of extraconal, and 2 cases of intraconal origin. 4. The degree of exophthalmos in CT scan was in proportion to the volume of the mass except in the case of thyroid ophthalmopathy. The upper limit of normal range by CT scan using regression line equation was 16.2 mm in approximation. 5. CT was a very useful diagnostic tool in the accurate assessment of the kinds of lesion, its location, and its relationship to adjacent structures in the diagnosis of etiologic diseases of exophthalmos.

  4. GLONASS orbit/clock combination in VNIIFTRI

    Bezmenov, I.; Pasynok, S.

    2015-08-01

    An algorithm and a program for GLONASS satellites orbit/clock combination based on daily precise orbits submitted by several Analytic Centers were developed. Some theoretical estimates for combine orbit positions RMS were derived. It was shown that under condition that RMS of satellite orbits provided by the Analytic Centers during a long time interval are commensurable the RMS of combine orbit positions is no greater than RMS of other satellite positions estimated by any of the Analytic Centers.

  5. Precise GPS orbits for geodesy

    Colombo, Oscar L.

    1994-01-01

    The Global Positioning System (GPS) has become, in recent years, the main space-based system for surveying and navigation in many military, commercial, cadastral, mapping, and scientific applications. Better receivers, interferometric techniques (DGPS), and advances in post-processing methods have made possible to position fixed or moving receivers with sub-decimeter accuracies in a global reference frame. Improved methods for obtaining the orbits of the GPS satellites have played a major role in these achievements; this paper gives a personal view of the main developments in GPS orbit determination.

  6. Primary orbital squamous cell carcinoma

    Ana L. Campos Arbulú

    2017-02-01

    Full Text Available Primary orbital squamous cell carcinoma is a rare entity. There is little published literature. We report a case of primary squamous cell carcinoma of the orbital soft tissues. Surgical resection offered the best treatment for the patient. Complete resection of the lesion was achieved. The patient received adjuvant radiotherapy due to the proximity of the lesion to the surgical margins. Surgical treatment is feasible and should be considered as part of the surgeon's arsenal. However, therapeutic decisions must be made on a case-by-case basis

  7. Orbital resonances around black holes.

    Brink, Jeandrew; Geyer, Marisa; Hinderer, Tanja

    2015-02-27

    We compute the length and time scales associated with resonant orbits around Kerr black holes for all orbital and spin parameters. Resonance-induced effects are potentially observable when the Event Horizon Telescope resolves the inner structure of Sgr A*, when space-based gravitational wave detectors record phase shifts in the waveform during the resonant passage of a compact object spiraling into the black hole, or in the frequencies of quasiperiodic oscillations for accreting black holes. The onset of geodesic chaos for non-Kerr spacetimes should occur at the resonance locations quantified here.

  8. Orbital effects in actinide systems

    Lander, G.H.

    1983-01-01

    Actinide magnetism presents a number of important challenges; in particular, the proximity of 5f band to the Fermi energy gives rise to strong interaction with both d and s like conduction electrons, and the extended nature of the 5f electrons means that they can interact with electron orbitals from neighboring atoms. Theory has recently addressed these problems. Often neglected, however, is the overwhelming evidence for large orbital contributions to the magnetic properties of actinides. Some experimental evidence for these effects are presented briefly in this paper. They point, clearly incorrectly, to a very localized picture for the 5f electrons. This dichotomy only enhances the nature of the challenge

  9. AA, closed orbit observation pickup

    1980-01-01

    Electrostatic pickups around the circumference of the AA served for the measurement of the closed orbits across the wide momentum range of +- 3% to either side of central orbit. The pickups were of the "shoebox" type, with diagonal cuts, a horizontal and a vertical one mechanically coupled together. They were located where they would not require extra space. The small ones, like the one we see here, were inserted into the vacuum chamber of the BLG (long and narrow) bending magnets. See also 8001372, 8010042, 8010045

  10. AA, closed orbit observation pickup

    CERN PhotoLab

    1980-01-01

    Electrostatic pickups around the circumference of the AA served for the measurement of the closed orbits across the wide momentum range of +- 3% to either side of central orbit. The pickups were of the "shoebox" type, with diagonal cuts, a horizontal and a vertical one mechanically coupled together. They were located where they would not require extra space. The wide ones (very wide indeed: 70 cm), like the one we see here, were placed inside the vacuum chamber of the wide quadrupoles QFW, at maximum dispersion. See also 8001372, 8001383, 8010045

  11. AA, closed orbit observation pickup

    CERN PhotoLab

    1980-01-01

    Electrostatic pickups around the circumference of the AA served for the measurement of the closed orbits across the wide momentum range of +- 3% to either side of central orbit. The pickups were of the "shoebox" type, with diagonal cuts, a horizontal and a vertical one mechanically coupled together. They were located where they would not require extra space. The wide ones (very wide indeed: 70 cm), like the one we see here, were placed inside the vacuum chamber of the wide quadrupoles, QFW, at maximum dispersion. See also 8001372,8001383, 8010042

  12. AA, closed orbit observation pickup

    CERN PhotoLab

    1980-01-01

    Electrostatic pickups around the circumference of the AA served for the measurement of the closed orbits across the wide momentum range of +- 3% to either side of central orbit. The pickups were of the "shoebox" type, with diagonal cuts, a horizontal and a vertical one mechanically coupled together. They were located where they would not require extra space. The small ones, like the one we see here, were inserted into the vacuum chamber of the BLG (long and narrow) bending magnets. Werner Sax contemplates his achievement. See also 8001383, 8010042, 8010045.

  13. Energy and the Elliptical Orbit

    Nettles, Bill

    2009-03-01

    In the January 2007 issue of The Physics Teacher, Prentis, Fulton, Hesse, and Mazzino describe a laboratory exercise in which students use a geometrical analysis inspired by Newton to show that an elliptical orbit and an inverse-square law force go hand in hand. The historical, geometrical, and teamwork aspects of the exercise are useful and important. This paper presents an exercise which uses an energy/angular momentum conservation model for elliptical orbits. This exercise can be done easily by an individual student and on regular notebook-sized paper.

  14. Linear system theory

    Callier, Frank M.; Desoer, Charles A.

    1991-01-01

    The aim of this book is to provide a systematic and rigorous access to the main topics of linear state-space system theory in both the continuous-time case and the discrete-time case; and the I/O description of linear systems. The main thrusts of the work are the analysis of system descriptions and derivations of their properties, LQ-optimal control, state feedback and state estimation, and MIMO unity-feedback systems.

  15. Non-Linear Dynamics of Saturn's Rings

    Esposito, L. W.

    2016-12-01

    Non-linear processes can explain why Saturn's rings are so active and dynamic. Ring systems differ from simple linear systems in two significant ways: 1. They are systems of granular material: where particle-to-particle collisions dominate; thus a kinetic, not a fluid description needed. Stresses are strikingly inhomogeneous and fluctuations are large compared to equilibrium. 2. They are strongly forced by resonances: which drive a non-linear response, that push the system across thresholds that lead to persistent states. Some of this non-linearity is captured in a simple Predator-Prey Model: Periodic forcing from the moon causes streamline crowding; This damps the relative velocity. About a quarter phase later, the aggregates stir the system to higher relative velocity and the limit cycle repeats each orbit, with relative velocity ranging from nearly zero to a multiple of the orbit average. Summary of Halo Results: A predator-prey model for ring dynamics produces transient structures like `straw' that can explain the halo morphology and spectroscopy: Cyclic velocity changes cause perturbed regions to reach higher collision speeds at some orbital phases, which preferentially removes small regolith particles; surrounding particles diffuse back too slowly to erase the effect: this gives the halo morphology; this requires energetic collisions (v ≈ 10m/sec, with throw distances about 200km, implying objects of scale R ≈ 20km).Transform to Duffing Eqn : With the coordinate transformation, z = M2/3, the Predator-Prey equations can be combined to form a single second-order differential equation with harmonic resonance forcing.Ring dynamics and history implications: Moon-triggered clumping explains both small and large particles at resonances. We calculate the stationary size distribution using a cell-to-cell mapping procedure that converts the phase-plane trajectories to a Markov chain. Approximating it as an asymmetric random walk with reflecting boundaries

  16. A simple method to design non-collision relative orbits for close spacecraft formation flying

    Jiang, Wei; Li, JunFeng; Jiang, FangHua; Bernelli-Zazzera, Franco

    2018-05-01

    A set of linearized relative motion equations of spacecraft flying on unperturbed elliptical orbits are specialized for particular cases, where the leader orbit is circular or equatorial. Based on these extended equations, we are able to analyze the relative motion regulation between a pair of spacecraft flying on arbitrary unperturbed orbits with the same semi-major axis in close formation. Given the initial orbital elements of the leader, this paper presents a simple way to design initial relative orbital elements of close spacecraft with the same semi-major axis, thus preventing collision under non-perturbed conditions. Considering the mean influence of J 2 perturbation, namely secular J 2 perturbation, we derive the mean derivatives of orbital element differences, and then expand them to first order. Thus the first order expansion of orbital element differences can be added to the relative motion equations for further analysis. For a pair of spacecraft that will never collide under non-perturbed situations, we present a simple method to determine whether a collision will occur when J 2 perturbation is considered. Examples are given to prove the validity of the extended relative motion equations and to illustrate how the methods presented can be used. The simple method for designing initial relative orbital elements proposed here could be helpful to the preliminary design of the relative orbital elements between spacecraft in a close formation, when collision avoidance is necessary.

  17. How does the Mass Transport in Disk Galaxy Models Influence the Character of Orbits?

    Zotos Euaggelos E.

    2014-12-01

    Full Text Available We explore the regular or chaotic nature of orbits of stars moving in the meridional (R, z plane of an axially symmetric time-dependent disk galaxy model with a central, spherically symmetric nucleus. In particular, mass is linearly transported from the disk to the galactic nucleus, in order to mimic, in a way, the case of self-consistent interactions of an actual N-body simulation. We thus try to unveil the influence of this mass transportation on the different families of orbits of stars by monitoring how the percentage of chaotic orbits, as well as the percentages of orbits of the main regular resonant families, evolve as the galaxy develops a dense and massive nucleus in its core. The SALI method is applied to samples of orbits in order to distinguish safely between ordered and chaotic motion. In addition, a method based on the concept of spectral dynamics is used for identifying the various families of regular orbits and also for recognizing the secondary resonances that bifurcate from them. Our computations strongly suggest that the amount of the observed chaos is substantially increased as the nucleus becomes more massive. Furthermore, extensive numerical calculations indicate that there are orbits which change their nature from regular to chaotic and vice versa and also orbits which maintain their orbital character during the galactic evolution. The present outcomes are compared to earlier related work.

  18. Orbital computed tomography: technical aspects

    Beck, T.J.; Rosenbaum, A.E.; Miller, N.R.

    1982-01-01

    Computed tomographic scanning has revolutionized the diagnosis and management of orbital disease. The best use of this methodology requires knowledge of the principles and appropriate attention to scanning protocols. Computed tomographic scanning of the orbit is a demanding technique requiring thin sections through planes precisely positioned from the topographical anatomy. Ideally, orbital CT should include both transverse axial and coronal sections: The pathological condition and its plane of growth will influence the selection of the optimal plane or section. Coronal sections may be obtained either directly or indirectly by computer reconstruction from contiguous transverse images. Sagittal or oblique sections or both also are useful and may be obtained directly or indirectly. Difficulty in patient positioning may preclude direct sagittal imaging, however. The use of intravenous contrast enhancement is not necessary as a routine technique unless a mass is identified or suspected. Where surgical resection or biopsy of a space-occupying lesion is contemplated, contrast enhancement can be valuable in assessing relative vascularity and aiding diagnostic specificity. It should be continually emphasized that CT is a powerful technology which, in orbital diagnosis, produces the highest yield when clinician and radiologist collaborate in the radiodiagnostic workup. The clinical information supplied by the referring ophthalmologist is used by the radiologist both in the selection of the appropriate techniques for investigation and in striving to achieve the most specific conclusion

  19. Getting a Crew into Orbit

    Riddle, Bob

    2011-01-01

    Despite the temporary setback in our country's crewed space exploration program, there will continue to be missions requiring crews to orbit Earth and beyond. Under the NASA Authorization Act of 2010, NASA should have its own heavy launch rocket and crew vehicle developed by 2016. Private companies will continue to explore space, as well. At the…

  20. Closed orbit analysis for RHIC

    Milutinovic, J.; Ruggiero, A.G.

    1989-01-01

    We examine the effects of four types of errors in the RHIC dipoles and quadrupoles on the on-momentum closed orbit in the machine. We use PATRIS both to handle statistically the effects of kick-modeled errors and to check the performance of the Fermilab correcting scheme in a framework of a more realistic modeling. On the basis of the accepted rms values of the lattice errors, we conclude that in about 40% of all studied cases the lattice must be to some extent pre-corrected in the framework of the so-called ''first turn around strategy,'' in order to get a closed orbit within the aperture limitations at all and, furthermore, for approximately 2/3 of the remaining cases we find that a single pass algorithm of the Fermilab scheme is not sufficient to bring closed orbit distortions down to acceptable levels. We have modified the scheme and have allowed repeated applications of the otherwise unchanged three bump method and in doing so we have been able to correct the orbit in a satisfactory manner. 4 refs., 2 figs., 3 tabs

  1. DOT strategies versus orbiter strategies

    Rutten, R.J.

    2001-01-01

    The Dutch Open Telescope is a high-resolution solar imager coming on-line at La Palma. The definition of the DOT science niche, strategies, and requirements resemble Solar Orbiter considerations and deliberations. I discuss the latter in the light of the former, and claim that multi-line observation

  2. CONGENITAI, ORBITAL, TERATOMIA IN A

    Plastic and Reconstructive Surgery Unit, National Orthopaedic Hospital, Enugu, Nigeria. ABSTRAC"H". Congenital orbital teratomas are rare. This is a case report of an otherwise .... aspirate showed fairly cloudy, blood-tinged straw- coloured fluid with no malignant cells or organisms. Two histopathology reports of 3cm/ ...

  3. THREE PLANETS ORBITING WOLF 1061

    Wright, D. J.; Wittenmyer, R. A.; Tinney, C. G.; Bentley, J. S.; Zhao, Jinglin, E-mail: duncan.wright@unsw.edu.au [Department of Astronomy and Australian Centre for Astrobiology, School of Physics, University of New South Wales, NSW 2052 (Australia)

    2016-02-01

    We use archival HARPS spectra to detect three planets orbiting the M3 dwarf Wolf 1061 (GJ 628). We detect a 1.36 M{sub ⊕} minimum-mass planet with an orbital period P = 4.888 days (Wolf 1061b), a 4.25 M{sub ⊕} minimum-mass planet with orbital period P = 17.867 days (Wolf 1061c), and a likely 5.21 M{sub ⊕} minimum-mass planet with orbital period P = 67.274 days (Wolf 1061d). All of the planets are of sufficiently low mass that they may be rocky in nature. The 17.867 day planet falls within the habitable zone for Wolf 1061 and the 67.274 day planet falls just outside the outer boundary of the habitable zone. There are no signs of activity observed in the bisector spans, cross-correlation FWHMs, calcium H and K indices, NaD indices, or Hα indices near the planetary periods. We use custom methods to generate a cross-correlation template tailored to the star. The resulting velocities do not suffer the strong annual variation observed in the HARPS DRS velocities. This differential technique should deliver better exploitation of the archival HARPS data for the detection of planets at extremely low amplitudes.

  4. Orbital meningioma, the Utrecht experience

    Mourits, Maarten Ph.; Berkelbach van der Sprenkel, Jan Willem

    2001-01-01

    AIMS. 1) To evaluate epidemiological data (age, gender, initial complaints, and ophthalmic findings) of a patient cohort with a primary or secondary orbital meningioma. 2) To evaluate the clinical course of these patients. 3) To evaluate the outcome of treatment. PATIENTS AND METHODS. All

  5. Nuclear propulsion for orbital transfer

    Beale, G.A.; Lawrence, T.J.

    1989-01-01

    The state of the art in nuclear propulsion for orbital transfer is discussed. Cryogenic propulsion, electric propulsion, solar-thermal propulsion and direct nuclear propulsion are examined in this context. New technologies with exceptional promise are addressed, emphasizing the particle test bed nuclear engine

  6. Orbital roof encephalocele mimicking a destructive neoplasm.

    Alsuhaibani, Adel H; Hitchon, Patrick W; Smoker, Wendy R K; Lee, Andrew G; Nerad, Jeffrey A

    2011-01-01

    The purpose of this case report is to report an orbital roof encephalocele mimicking a destructive orbital neoplasm. Orbital roof encephalocele is uncommon but can mimic neoplasm. One potential mechanism for the orbital roof destruction is a post-traumatic "growing orbital roof fracture." The growing fracture has been reported mostly in children but can occur in adults. Alternative potential etiologies for the encephalocele are discussed, including Gorham syndrome. Orbital roof encephalocele is uncommon in adults, and the findings can superficially resemble an orbital neoplasm. Radiographic and clinical features that might suggest the correct diagnosis include a prior history of trauma, overlying frontal lobe encephalomalacia without significant mass effect or edema, and an orbital roof defect. The "growing fracture" mechanism may be a potential explanation for the orbital roof destruction in some cases.

  7. The globe and orbit in Laron syndrome.

    Kornreich, L; Konen, O; Lilos, P; Laron, Z

    2011-09-01

    Patients with LS have an inborn growth hormone resistance, resulting in failure to generate IGF-1. The purpose of this study was to evaluate the size of the eye and orbit in LS. We retrospectively reviewed the MR imaging of the brain in 9 patients with LS for the following parameters: axial diameter of the globe, interzygomatic distance, perpendicular distance from the interzygomatic line to margins of the globe, medial-to-lateral diameter of the orbit at the anterior orbital rim, distance from the anterior orbital rim to the anterior globe, maximal distance between the medial walls of the orbits, lateral orbital wall angle, lateral orbital wall length, and mediolateral thickness of the intraorbital fat in the most cranial image of the orbit. All measurements were made bilaterally. Twenty patients referred for MR imaging for unrelated reasons served as control subjects. Compared with the control group, the patients with LS had a significantly smaller maximal globe diameter and shallower but wider orbits due to a shorter lateral wall, a smaller medial distance between the orbits, and a larger angle of the orbit. The ratio between the most anterior orbital diameter and the globe was greater than that in controls. The position of the globe was more anterior in relation to the interzygomatic line. Shallow and wide orbits and small globes relative to orbital size are seen in LS and may be secondary to IGF-1 deficiency.

  8. Weak Localization and Antilocalization in Topological Materials with Impurity Spin-Orbit Interactions

    Hankiewicz, Ewelina M.; Culcer, Dimitrie

    2017-01-01

    Topological materials have attracted considerable experimental and theoretical attention. They exhibit strong spin-orbit coupling both in the band structure (intrinsic) and in the impurity potentials (extrinsic), although the latter is often neglected. In this work, we discuss weak localization and antilocalization of massless Dirac fermions in topological insulators and massive Dirac fermions in Weyl semimetal thin films, taking into account both intrinsic and extrinsic spin-orbit interactions. The physics is governed by the complex interplay of the chiral spin texture, quasiparticle mass, and scalar and spin-orbit scattering. We demonstrate that terms linear in the extrinsic spin-orbit scattering are generally present in the Bloch and momentum relaxation times in all topological materials, and the correction to the diffusion constant is linear in the strength of the extrinsic spin-orbit. In topological insulators, which have zero quasiparticle mass, the terms linear in the impurity spin-orbit coupling lead to an observable density dependence in the weak antilocalization correction. They produce substantial qualitative modifications to the magnetoconductivity, differing greatly from the conventional Hikami-Larkin-Nagaoka formula traditionally used in experimental fits, which predicts a crossover from weak localization to antilocalization as a function of the extrinsic spin-orbit strength. In contrast, our analysis reveals that topological insulators always exhibit weak antilocalization. In Weyl semimetal thin films having intermediate to large values of the quasiparticle mass, we show that extrinsic spin-orbit scattering strongly affects the boundary of the weak localization to antilocalization transition. We produce a complete phase diagram for this transition as a function of the mass and spin-orbit scattering strength. Throughout the paper, we discuss implications for experimental work, and, at the end, we provide a brief comparison with transition metal

  9. S-Boxes Based on Affine Mapping and Orbit of Power Function

    Khan, Mubashar; Azam, Naveed Ahmed

    2015-06-01

    The demand of data security against computational attacks such as algebraic, differential, linear and interpolation attacks has been increased as a result of rapid advancement in the field of computation. It is, therefore, necessary to develop such cryptosystems which can resist current cryptanalysis and more computational attacks in future. In this paper, we present a multiple S-boxes scheme based on affine mapping and orbit of the power function used in Advanced Encryption Standard (AES). The proposed technique results in 256 different S-boxes named as orbital S-boxes. Rigorous tests and comparisons are performed to analyse the cryptographic strength of each of the orbital S-boxes. Furthermore, gray scale images are encrypted by using multiple orbital S-boxes. Results and simulations show that the encryption strength of the orbital S-boxes against computational attacks is better than that of the existing S-boxes.

  10. The Kondo temperature of a two-dimensional electron gas with Rashba spin–orbit coupling

    Chen, Liang; Lin, Hai-Qing; Sun, Jinhua; Tang, Ho-Kin

    2016-01-01

    We use the Hirsch–Fye quantum Monte Carlo method to study the single magnetic impurity problem in a two-dimensional electron gas with Rashba spin–orbit coupling. We calculate the spin susceptibility for various values of spin–orbit coupling, Hubbard interaction, and chemical potential. The Kondo temperatures for different parameters are estimated by fitting the universal curves of spin susceptibility. We find that the Kondo temperature is almost a linear function of Rashba spin–orbit energy when the chemical potential is close to the edge of the conduction band. When the chemical potential is far away from the band edge, the Kondo temperature is independent of the spin–orbit coupling. These results demonstrate that, for single impurity problems in this system, the most important reason to change the Kondo temperature is the divergence of density of states near the band edge, and the divergence is induced by the Rashba spin–orbit coupling. (paper)

  11. Neural network technique for orbit correction in accelerators/storage rings

    Bozoki, E.; Friedman, A.

    1995-01-01

    The authors are exploring the use of Neural Networks, using the SNNS simulator, for orbit control in accelerators (primarily circular accelerators) and storage rings. The orbit of the beam in those machines are measured by orbit monitors (input nodes) and controlled by orbit corrector magnets (output nodes). The physical behavior of an accelerator is changing slowly in time. Thus, an adoptive algorithm is necessary. The goal is to have a trained net which will predict the exact corrector strengths which will minimize a measured orbit. The relationship between open-quotes kickclose quotes from the correctors and open-quotes responseclose quotes from the monitors is in general non-linear and may slowly change during long-term operation of the machine. In the study, several network architectures are examined as well as various training methods for each architecture

  12. Further linear algebra

    Blyth, T S

    2002-01-01

    Most of the introductory courses on linear algebra develop the basic theory of finite­ dimensional vector spaces, and in so doing relate the notion of a linear mapping to that of a matrix. Generally speaking, such courses culminate in the diagonalisation of certain matrices and the application of this process to various situations. Such is the case, for example, in our previous SUMS volume Basic Linear Algebra. The present text is a continuation of that volume, and has the objective of introducing the reader to more advanced properties of vector spaces and linear mappings, and consequently of matrices. For readers who are not familiar with the contents of Basic Linear Algebra we provide an introductory chapter that consists of a compact summary of the prerequisites for the present volume. In order to consolidate the student's understanding we have included a large num­ ber of illustrative and worked examples, as well as many exercises that are strategi­ cally placed throughout the text. Solutions to the ex...

  13. Manipulation and application of orbital ordering

    Sheng Zhigao; Sun Yuping

    2014-01-01

    Under certain conditions, the orbits of the outmost shell electrons in strong correlated materials can be localized in order, which gives birth to so-called orbital ordering. During the construction or destruction of the orbital ordering, strongly correlated materials show fruitful quantum critical phenomena with great potential for future applications. We first present the mechanism for the construction of orbital ordering. Then, some physical properties associated with orbits are discussed. Finally, we emphasize the key points and progress in the research of orbital ordering controlling. (authors)

  14. Linear scaling of density functional algorithms

    Stechel, E.B.; Feibelman, P.J.; Williams, A.R.

    1993-01-01

    An efficient density functional algorithm (DFA) that scales linearly with system size will revolutionize electronic structure calculations. Density functional calculations are reliable and accurate in determining many condensed matter and molecular ground-state properties. However, because current DFA's, including methods related to that of Car and Parrinello, scale with the cube of the system size, density functional studies are not routinely applied to large systems. Linear scaling is achieved by constructing functions that are both localized and fully occupied, thereby eliminating the need to calculate global eigenfunctions. It is, however, widely believed that exponential localization requires the existence of an energy gap between the occupied and unoccupied states. Despite this, the authors demonstrate that linear scaling can still be achieved for metals. Using a linear scaling algorithm, they have explicitly constructed localized, almost fully occupied orbitals for the quintessential metallic system, jellium. The algorithm is readily generalizable to any system geometry and Hamiltonian. They will discuss the conceptual issues involved, convergence properties and scaling for their new algorithm

  15. Linear mass reflectron

    Mamyrin, B.A.; Shmikk, D.V.

    1979-01-01

    A description and operating principle of a linear mass reflectron with V-form trajectory of ion motion -a new non-magnetic time-of-flight mass spectrometer with high resolution are presented. The ion-optical system of the device consists of an ion source with ionization by electron shock, of accelerating gaps, reflector gaps, a drift space and ion detector. Ions move in the linear mass refraction along the trajectories parallel to the axis of the analyzer chamber. The results of investigations into the experimental device are given. With an ion drift length of 0.6 m the device resolution is 1200 with respect to the peak width at half-height. Small-sized mass spectrometric transducers with high resolution and sensitivity may be designed on the base of the linear mass reflectron principle

  16. Applied linear algebra

    Olver, Peter J

    2018-01-01

    This textbook develops the essential tools of linear algebra, with the goal of imparting technique alongside contextual understanding. Applications go hand-in-hand with theory, each reinforcing and explaining the other. This approach encourages students to develop not only the technical proficiency needed to go on to further study, but an appreciation for when, why, and how the tools of linear algebra can be used across modern applied mathematics. Providing an extensive treatment of essential topics such as Gaussian elimination, inner products and norms, and eigenvalues and singular values, this text can be used for an in-depth first course, or an application-driven second course in linear algebra. In this second edition, applications have been updated and expanded to include numerical methods, dynamical systems, data analysis, and signal processing, while the pedagogical flow of the core material has been improved. Throughout, the text emphasizes the conceptual connections between each application and the un...

  17. Theory of linear operations

    Banach, S

    1987-01-01

    This classic work by the late Stefan Banach has been translated into English so as to reach a yet wider audience. It contains the basics of the algebra of operators, concentrating on the study of linear operators, which corresponds to that of the linear forms a1x1 + a2x2 + ... + anxn of algebra.The book gathers results concerning linear operators defined in general spaces of a certain kind, principally in Banach spaces, examples of which are: the space of continuous functions, that of the pth-power-summable functions, Hilbert space, etc. The general theorems are interpreted in various mathematical areas, such as group theory, differential equations, integral equations, equations with infinitely many unknowns, functions of a real variable, summation methods and orthogonal series.A new fifty-page section (``Some Aspects of the Present Theory of Banach Spaces'''') complements this important monograph.

  18. Dimension of linear models

    Høskuldsson, Agnar

    1996-01-01

    Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four of these cri......Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four...... the basic problems in determining the dimension of linear models. Then each of the eight measures are treated. The results are illustrated by examples....

  19. Linear programming using Matlab

    Ploskas, Nikolaos

    2017-01-01

    This book offers a theoretical and computational presentation of a variety of linear programming algorithms and methods with an emphasis on the revised simplex method and its components. A theoretical background and mathematical formulation is included for each algorithm as well as comprehensive numerical examples and corresponding MATLAB® code. The MATLAB® implementations presented in this book  are sophisticated and allow users to find solutions to large-scale benchmark linear programs. Each algorithm is followed by a computational study on benchmark problems that analyze the computational behavior of the presented algorithms. As a solid companion to existing algorithmic-specific literature, this book will be useful to researchers, scientists, mathematical programmers, and students with a basic knowledge of linear algebra and calculus.  The clear presentation enables the reader to understand and utilize all components of simplex-type methods, such as presolve techniques, scaling techniques, pivoting ru...

  20. Linear Colliders TESLA

    Anon.

    1994-01-01

    The aim of the TESLA (TeV Superconducting Linear Accelerator) collaboration (at present 19 institutions from seven countries) is to establish the technology for a high energy electron-positron linear collider using superconducting radiofrequency cavities to accelerate its beams. Another basic goal is to demonstrate that such a collider can meet its performance goals in a cost effective manner. For this the TESLA collaboration is preparing a 500 MeV superconducting linear test accelerator at the DESY Laboratory in Hamburg. This TTF (TESLA Test Facility) consists of four cryomodules, each approximately 12 m long and containing eight 9-cell solid niobium cavities operating at a frequency of 1.3 GHz

  1. Distance-based relative orbital elements determination for formation flying system

    He, Yanchao; Xu, Ming; Chen, Xi

    2016-01-01

    The present paper deals with determination of relative orbital elements based only on distance between satellites in the formation flying system, which has potential application in engineering, especially suited for rapid orbit determination required missions. A geometric simplification is performed to reduce the formation configuration in three-dimensional space to a plane. Then the equivalent actual configuration deviating from its nominal design is introduced to derive a group of autonomous linear equations on the mapping between the relative orbital elements differences and distance errors. The primary linear equations-based algorithm is initially proposed to conduct the rapid and precise determination of the relative orbital elements without the complex computation, which is further improved by least-squares method with more distance measurements taken into consideration. Numerical simulations and comparisons with traditional approaches are presented to validate the effectiveness of the proposed methods. To assess the performance of the two proposed algorithms, accuracy validation and Monte Carlo simulations are implemented in the presence of noises of distance measurements and the leader's absolute orbital elements. It is demonstrated that the relative orbital elements determination accuracy of two approaches reaches more than 90% and even close to the actual values for the least-squares improved one. The proposed approaches can be alternates for relative orbit determination without assistance of additional facilities in engineering for their fairly high efficiency with accuracy and autonomy.

  2. Linearly Adjustable International Portfolios

    Fonseca, R. J.; Kuhn, D.; Rustem, B.

    2010-09-01

    We present an approach to multi-stage international portfolio optimization based on the imposition of a linear structure on the recourse decisions. Multiperiod decision problems are traditionally formulated as stochastic programs. Scenario tree based solutions however can become intractable as the number of stages increases. By restricting the space of decision policies to linear rules, we obtain a conservative tractable approximation to the original problem. Local asset prices and foreign exchange rates are modelled separately, which allows for a direct measure of their impact on the final portfolio value.

  3. Linearly Adjustable International Portfolios

    Fonseca, R. J.; Kuhn, D.; Rustem, B.

    2010-01-01

    We present an approach to multi-stage international portfolio optimization based on the imposition of a linear structure on the recourse decisions. Multiperiod decision problems are traditionally formulated as stochastic programs. Scenario tree based solutions however can become intractable as the number of stages increases. By restricting the space of decision policies to linear rules, we obtain a conservative tractable approximation to the original problem. Local asset prices and foreign exchange rates are modelled separately, which allows for a direct measure of their impact on the final portfolio value.

  4. Linear induction motor

    Barkman, W.E.; Adams, W.Q.; Berrier, B.R.

    1978-01-01

    A linear induction motor has been operated on a test bed with a feedback pulse resolution of 5 nm (0.2 μin). Slewing tests with this slide drive have shown positioning errors less than or equal to 33 nm (1.3 μin) at feedrates between 0 and 25.4 mm/min (0-1 ipm). A 0.86-m (34-in)-stroke linear motor is being investigated, using the SPACO machine as a test bed. Initial results were encouraging, and work is continuing to optimize the servosystem compensation

  5. Handbook of linear algebra

    Hogben, Leslie

    2013-01-01

    With a substantial amount of new material, the Handbook of Linear Algebra, Second Edition provides comprehensive coverage of linear algebra concepts, applications, and computational software packages in an easy-to-use format. It guides you from the very elementary aspects of the subject to the frontiers of current research. Along with revisions and updates throughout, the second edition of this bestseller includes 20 new chapters.New to the Second EditionSeparate chapters on Schur complements, additional types of canonical forms, tensors, matrix polynomials, matrix equations, special types of

  6. Linear Algebra Thoroughly Explained

    Vujičić, Milan

    2008-01-01

    Linear Algebra Thoroughly Explained provides a comprehensive introduction to the subject suitable for adoption as a self-contained text for courses at undergraduate and postgraduate level. The clear and comprehensive presentation of the basic theory is illustrated throughout with an abundance of worked examples. The book is written for teachers and students of linear algebra at all levels and across mathematics and the applied sciences, particularly physics and engineering. It will also be an invaluable addition to research libraries as a comprehensive resource book for the subject.

  7. The importance of non-linearities in modern proton synchrotrons

    Wilson, E.J.N.

    1977-01-01

    The paper outlines the physics and mathematics of non-linear field errors in the quide fields of accelerators, with particular reference to large accelerators such as the SPS. These non-linearities give rise to closed orbital distortions and non-linear resonances or stopbands. Both of these effects are briefly discussed and the use of resonances for slow beam extraction is also described. Another problem considered is that of chromaticity of the particle beam. The use of sextupoles to correct chromaticity and the Landau damping of beam instabilities using octupoles are also discussed. In the final section the application of Hamiltonian mechanics to non-linearities is demonstrated. The author concludes that the effect of non-linearities on particle dynamics may place a more severe limit on intensity and storage time in large rings than any other effect in transverse phase space. (B.D.)

  8. A unique distortion in K{sub 1/3}Ba{sub 2/3}AgTe{sub 2}: X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure

    Gourdon, O; Hanko, J; Boucher, F; Petricek, V; Whangbo, M H; Kanatzidis, M G; Evain, M

    2000-04-03

    The incommensurately modulated structure of a square Te-net, namely that of K{sub 1/3}Ba{sub 2/3}AgTe{sub 2}, is determined from single-crystal X-ray diffraction data within a (3+1)D higher dimension formalism. The phase is shown to crystallize in the monoclinic symmetry, P2{sub 1}({alpha}0{gamma}) superspace group with the following lattice parameters: a = 4.6441(10) {angstrom}, b = 4.6292(12) {angstrom}, c = 23.765(9) {angstrom}, and {beta} = 101.28(2){degree} with q = 0.3248(6)a* {minus}0.07(8)c*, that is, in a symmetry different from that reported for the average structure (tetragonal) or that assumed from electron diffraction measurements (orthorhombic). After the introduction of a crenel function for the Te displacive description, the refinement converged to a residual factor R = 0.033 for 2583 observed reflections and 115 parameters (R = 0.024 and 0.101 for 1925 main reflections and 658 first-order satellites, respectively). The [Ag{sub 2}-Te{sub 2}] and the Ba/K layers are found to be only weakly modulated. The modulation of the square Te-net is, however, both substantial and unique. Namely, it results in two different units: a V-shaped Te{sub 3} trimer and a W-shaped Te{sub 5} pentamer. To examine both unit types, which are segregated in domains that aperiodically alternate within the Te layers, first principles electronic band structure calculations were carried out for three model commensurate structures using the tight-binding linear-muffin-tin-orbital method (LMTO). The calculations show that the distorted structures of V-pattern (model 2) and W-pattern (model 3) are more stable than the average structure (model 1) and that the V-pattern distortion provides a slightly larger stabilization than does the W-pattern distortion. The Fermi surface calculated for the average structure shows nesting vectors that are consistent with the occurrence of the V- and W-pattern distortions in the Te layers. However, these vectors do not predict the observed modulation

  9. First-principles study of structural stabilities, elastic and electronic properties of transition metal monocarbides (TMCs) and mononitrides (TMNs)

    Rached, H.; Rached, D.; Benalia, S. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Reshak, A.H., E-mail: maalidph@yahoo.co.uk [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Rabah, M. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3M), université de Mascara, Mascara 29000 (Algeria); Bin Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, Riyadh 11451 (Saudi Arabia)

    2013-12-16

    The structural stabilities, elastic and electronic properties of 5d transition metal mononitrides (TMNs) XN with (X = Ir, Os, Re, W and Ta) and 5d transition metal monocarbides (TMCs) XC with (X = Ir, Os, Re and Ta) were investigated using the full-potential linear muffin-tin orbital (FP-LMTO) method, in the framework of the density functional theory (DFT) within the local density approximation (LDA) for the exchange correlation functional. The ground state quantities such as the lattice parameter, bulks modulus and its pressure derivatives for the six considered crystal structures, Rock-salt (B1), CsCl (B2), zinc-blend (B3), Wurtzite (B4), NiAs (B8{sub 1}) and the tungsten carbides (B{sub h}) are calculated. The elastic constants of TMNs and TMCs compounds in its different stable phases are determined by using the total energy variation with strain technique. The elastic modulus for polycrystalline materials, shear modulus (G), Young's modulus (E), and Poisson's ratio (ν) are calculated. The Debye temperature (θ{sub D}) and sound velocities (v{sub m}) were also derived from the obtained elastic modulus. The analysis of the hardness of the herein studied compounds classifies OsN – (B4 et B8{sub 1}), ReN – (B8{sub 1}), WN – (B8{sub 1}) and OsC – (B8{sub 1}) as superhard materials. Our results for the band structure and densities of states (DOS), show that TMNs and TMCs compounds in theirs energetically and mechanically stable phase has metallic characteristic with strong covalent nature Metal–Nonmetal elements. - Highlights: • Structural stabilities, elastic, electronic properties of 5d TMNs XN are investigated. • 5d TMCs XC with (X = Ir, Os, Re and Ta) were investigated. • The ground state properties for the six considered crystal structure are calculated. • The elastic constants of TMNs and TMCs in its different stable phases are determined. • The elastic modulus for polycrystalline materials, G, E, and ν are calculated.

  10. Using Solar Radiation Pressure to Control L2 Orbits

    Tene, Noam; Richon, Karen; Folta, David

    1998-01-01

    The main perturbations at the Sun-Earth Lagrange points L1 and L2 are from solar radiation pressure (SRP), the Moon and the planets. Traditional approaches to trajectory design for Lagrange-point orbits use maneuvers every few months to correct for these perturbations. The gravitational effects of the Moon and the planets are small and periodic. However, they cannot be neglected because small perturbations in the direction of the unstable eigenvector are enough to cause exponential growth within a few months. The main effect of a constant SRP is to shift the center of the orbit by a small distance. For spacecraft with large sun-shields like the Microwave Anisotropy Probe (MAP) and the Next Generation Space Telescope (NGST), the SRP effect is larger than all other perturbations and depends mostly on spacecraft attitude. Small variations in the spacecraft attitude are large enough to excite or control the exponential eigenvector. A closed-loop linear controller based on the SRP variations would eliminate one of the largest errors to the orbit and provide a continuous acceleration for use in controlling other disturbances. It is possible to design reference trajectories that account for the periodic lunar and planetary perturbations and still satisfy mission requirements. When such trajectories are used the acceleration required to control the unstable eigenvector is well within the capabilities of a continuous linear controller. Initial estimates show that by using attitude control it should be possible to minimize and even eliminate thruster maneuvers for station keeping.

  11. Fat suppression applied to MR imaging of the pathologic orbit

    Simon, J.H.; Kido, D.K.; Ekholm, S.E.; Totterman, S.; Szumowski, J.; Manzione, J.V. Jr.; Joy, S.E.

    1987-01-01

    Previous MR studies of the normal orbit have shown that fat suppression sequences applied at the proper T1-T2 weighting will decrease artifacts from chemical shift, and can be used to enhance contrast in selected anatomic regions. The purpose of this study was to evaluate the clinical application of fat suppression to studies of the pathologic orbit. The studies included conventional imaging sequences and comparative fat suppression sequences through a range of T1-T2 weighting (repetition time [TR] 400 msec, echo time [TE]20 msec, to TR 2,000 msec, TE 90 msec), using the chopper fat suppression technique developed by J. Szumowski and D. Plewes, which requires no postprocessing and no increased scan time to achieve relatively linear fat suppression. Fat suppression was advantageous in determining tumor margins (extension through sclera); increasing diagnostic specificity (fat vs. water content); detailing anatomic relationships along bony margins (particularly in the orbital apex); and for demonstrating true thickness of optic nerve separate from adjacent cerebrospinal fluid and fibrous sheath. Disadvantages included susceptibility to motion artifact and a perception of lower quality due to lower overall orbital signal

  12. The orbital inclination of A0620 - 00 measured polarimetrically

    Dolan, J.F.; Tapia, S.

    1989-01-01

    The mass of the degenerate primary in A0620 - 00 is inferred from its spectroscopic mass function to be not less than 3.2 solar masses, making it an excellent candidate for a black hole. The exact value of the mass depends on the orbital inclination. The inclination of a binary system can be determined from the shape of its Stokes parameter light curves if the linear polarization of the system varies as a function of orbital phase. A0620 - 00 over one 8-hour binary period was observed with the 4.5-m equivalent MMT. Its polarization in the visible is variable with orbital phase. The standard theory of Brown et al. (1978) was used to derive an orbital inclination of i = 57 deg (+20 deg, -50 deg), where the error is the 90-percent confidence interval. An inclination of i = 57 deg corresponds to a mass of the compact primary of 6.6 solar masses, but the large uncertainty in the measured value of the inclination allows the derived mass of A0620 - 00 to be as low as 3.8 solar masses. If this is taken to be the maximum mass of any degenerate configuration consistent with general relativity except a black hole, then the mass of A0620 - 00 is still not well enough determined to conclude that it must be a black hole. 21 refs

  13. America, Linearly Cyclical

    2013-05-10

    AND VICTIM- ~ vAP BLAMING 4. AMERICA, LINEARLY CYCUCAL AF IMT 1768, 19840901, V5 PREVIOUS EDITION WILL BE USED. C2C Jessica Adams Dr. Brissett...his desires, his failings, and his aspirations follow the same general trend throughout history and throughout cultures. The founding fathers sought

  14. Stanford's linear collider

    Southworth, B.

    1985-01-01

    The peak of the construction phase of the Stanford Linear Collider, SLC, to achieve 50 GeV electron-positron collisions has now been passed. The work remains on schedule to attempt colliding beams, initially at comparatively low luminosity, early in 1987. (orig./HSI).

  15. Dosimetry of linear sources

    Mafra Neto, F.

    1992-01-01

    The dose of gamma radiation from a linear source of cesium 137 is obtained, presenting two difficulties: oblique filtration of radiation when cross the platinum wall, in different directions, and dose connection due to the scattering by the material mean of propagation. (C.G.C.)

  16. Resistors Improve Ramp Linearity

    Kleinberg, L. L.

    1982-01-01

    Simple modification to bootstrap ramp generator gives more linear output over longer sweep times. New circuit adds just two resistors, one of which is adjustable. Modification cancels nonlinearities due to variations in load on charging capacitor and due to changes in charging current as the voltage across capacitor increases.

  17. LINEAR COLLIDERS: 1992 workshop

    Settles, Ron; Coignet, Guy

    1992-01-01

    As work on designs for future electron-positron linear colliders pushes ahead at major Laboratories throughout the world in a major international collaboration framework, the LC92 workshop held in Garmisch Partenkirchen this summer, attended by 200 machine and particle physicists, provided a timely focus

  18. Linear genetic programming

    Brameier, Markus

    2007-01-01

    Presents a variant of Genetic Programming that evolves imperative computer programs as linear sequences of instructions, in contrast to the more traditional functional expressions or syntax trees. This book serves as a reference for researchers, but also contains sufficient introduction for students and those who are new to the field

  19. On Solving Linear Recurrences

    Dobbs, David E.

    2013-01-01

    A direct method is given for solving first-order linear recurrences with constant coefficients. The limiting value of that solution is studied as "n to infinity." This classroom note could serve as enrichment material for the typical introductory course on discrete mathematics that follows a calculus course.

  20. Review of linear colliders

    Takeda, Seishi

    1992-01-01

    The status of R and D of future e + e - linear colliders proposed by the institutions throughout the world is described including the JLC, NLC, VLEPP, CLIC, DESY/THD and TESLA projects. The parameters and RF sources are discussed. (G.P.) 36 refs.; 1 tab

  1. Pursuit/evasion in orbit

    Kelley, H. J.; Cliff, E. M.; Lutze, F. H.

    1981-01-01

    Maneuvers available to a spacecraft having sufficient propellant to escape an antisatellite satellite (ASAT) attack are examined. The ASAT and the evading spacecraft are regarded as being in circular orbits, and equations of motion are developed for the ASAT to commence a two-impulse maneuver sequence. The ASAT employs thrust impulses which yield a minimum-time-to-rendezvous, considering available fuel. Optimal evasion is shown to involve only in-plane maneuvers, and begins as soon as the ASAT launch information is gathered and thrust activation can be initiated. A closest approach, along with a maximum evasion by the target spacecraft, is calculated to be 14,400 ft. Further research to account for ASATs in parking orbit and for generalization of a continuous control-modeled differential game is indicated.

  2. Neutron stars with orbiting light

    Lukacs, B.

    1987-11-01

    There is a wide-spread belief in the literature of relativistic astrophysics concerning nonsingular final states of the stellar evolution: the external gravitational field of a physically nonsingular central symmetric body (e.g. a neutron star) is asymptotically empty and simple, i.e. there are no closed or trapped light-like causal geodesics. Present paper shows that this belief is false: some examples are presented for nonsingular bodies with various equations of state, around which there are closed light-like trajectories: 'orbiting light'. The reality of the used equations of state is discussed in detail. Present state of particle physics does not establish the existence of matter with such equations of state, but the hypothetical subquark level of matter may have such equation of state, thus 'subquark-stars' may exist with orbiting light around them. So the criterion of 'nonsingularity' must be further analyzed and accurately defined. (D.Gy.) 24 refs.; 5 figs

  3. Orbit monitoring in the SLC

    Sanchez-Chopitea, L.; Emma, P.; Van Olst, D.

    1991-05-01

    Beam orbits in the SLC are monitored in real time and the data is stored for future trend and correlation analysis. A background process acquires Beam Position Monitor (BPM) and Toroid data on a periodic basis and saves the general quantities such as orbit RMS and beam intensity in addition to the individual readings. Some of this data is archived by the SLC History Buffer facility and the rest is saved in files for later analysis. This has permitted the tracing of interaction point instabilities to specific devices as far away as the damping rings. In addition, the data is displayed for the operators both in summary and in full form. The different displays can be configured from the control consoles. 2 refs., 5 figs

  4. [Orbital decompression in Grave's ophtalmopathy].

    Longueville, E

    2010-01-01

    Graves disease orbitopathy is a complex progressive inflammatory disease. Medical treatment remains in all cases the proposed treatment of choice. Surgical treatment by bone decompression can be considered as an emergency mainly in cases of optic neuropathy or ocular hypertension not being controlled medically or in post-traumatic exophthalmos stage. Emergency bone decompression eliminates compression or stretching of the optic nerve allowing visual recovery. The uncontrolled ocular hypertension will benefit from decompression. The normalization of intraocular pressure may be obtained by this surgery or if needed by the use of postoperative antiglaucoma drops or even filtration surgery. In all operated cases, the IOP was normalized with an average decrease of 7.71 mmHg and a cessation of eye drops in 3/7 cases. Regarding sequelae, our therapeutic strategy involves consecutively surgery of the orbit, extraocular muscles and eyelids. The orbital expansion gives excellent results on the cosmetic level and facilitates the implementation of subsequent actions.

  5. Robustness analysis method for orbit control

    Zhang, Jingrui; Yang, Keying; Qi, Rui; Zhao, Shuge; Li, Yanyan

    2017-08-01

    Satellite orbits require periodical maintenance due to the presence of perturbations. However, random errors caused by inaccurate orbit determination and thrust implementation may lead to failure of the orbit control strategy. Therefore, it is necessary to analyze the robustness of the orbit control methods. Feasible strategies which are tolerant to errors of a certain magnitude can be developed to perform reliable orbit control for the satellite. In this paper, first, the orbital dynamic model is formulated by Gauss' form of the planetary equation using the mean orbit elements; the atmospheric drag and the Earth's non-spherical perturbations are taken into consideration in this model. Second, an impulsive control strategy employing the differential correction algorithm is developed to maintain the satellite trajectory parameters in given ranges. Finally, the robustness of the impulsive control method is analyzed through Monte Carlo simulations while taking orbit determination error and thrust error into account.

  6. Management of ocular, orbital, and adnexal trauma

    Spoor, T.C.; Nesi, F.A.

    1988-01-01

    This book contains 20 chapters. Some of the chapter titles are: The Ruptured Globe: Primary Care; Corneal Trauma, Endophthalmitis; Antibiotic Usage; Radiology of Orbital Trauma; Maxillofacial Fractures; Orbital Infections; and Basic Management of Soft Tissue Injury

  7. Orbital stability of periodic traveling-wave solutions for the log-KdV equation

    Natali, Fábio; Pastor, Ademir; Cristófani, Fabrício

    2017-09-01

    In this paper we establish the orbital stability of periodic waves related to the logarithmic Korteweg-de Vries equation. Our motivation is inspired in the recent work [3], in which the authors established the well-posedness and the linear stability of Gaussian solitary waves. By using the approach put forward recently in [20] to construct a smooth branch of periodic waves as well as to get the spectral properties of the associated linearized operator, we apply the abstract theories in [13] and [25] to deduce the orbital stability of the periodic traveling waves in the energy space.

  8. Dynamique des orbites fortement elliptiques

    Lion , Guillaume

    2013-01-01

    Most of the orbits of artificial satellites around the Earth have relatively low eccentricities. The calculation of their trajectories is very well under control, either by means of numerical methods when it comes to focus on accuracy and comparing observations, or either through analytical or semi-analytical theories to optimize the speed of calculations. This second category is used, in particular, for computing many long-term trajectories that could help to ensure the security and safety o...

  9. Superbanana orbits in stellarator geometries

    Derr, J.A.; Shohet, J.L.

    1979-04-01

    The presence of superbanana orbit types localized to either the interior or the exterior of stellarators and torsatrons is numerically investigated for 3.5 MeV alpha particles. The absence of the interior superbanana in both geometries is found to be due to non-conservation of the action. Exterior superbananas are found in the stellarator only, as a consequence of the existence of closed helical magnetic wells. No superbananas of either type are found in the torsatron

  10. Orbital Volumetry in Graves' Orbitopathy

    Al-Bakri, Moug; Rasmussen, Åse Krogh; Thomsen, Carsten

    2014-01-01

    were retrospectively analyzed. Thirteen patients imaged for unilateral orbital fractures served as controls. Results. The retrobulbar muscle volume was 2.1 ± 0.5 cm(3) (mean ± SD) in controls, 4.3 ± 1.5 cm(3) in GO without DON, and 4.7 ± 1.7 cm(3) in GO with DON. The retrobulbar fat volume was 5.4 ± 1...

  11. A new kinematical definition of orbital eccentricity

    Ninković S.

    2009-01-01

    Full Text Available A new concept of orbital eccentricity is given. The dimensionless quantities proposed in the present paper to serve as orbital eccentricities have a kinematical nature. The purpose is to use them in describing the motion for the case of three-dimensional orbits. A comparison done for nearly planar orbits shows that the values of the eccentricities proposed here do not differ significantly from those corresponding to the eccentricities of geometric nature usually applied.

  12. An Ontological Architecture for Orbital Debris Data

    Rovetto, Robert J.

    2017-01-01

    The orbital debris problem presents an opportunity for inter-agency and international cooperation toward the mutually beneficial goals of debris prevention, mitigation, remediation, and improved space situational awareness (SSA). Achieving these goals requires sharing orbital debris and other SSA data. Toward this, I present an ontological architecture for the orbital debris domain, taking steps in the creation of an orbital debris ontology (ODO). The purpose of this ontological system is to ...

  13. Algorithms for orbit control on SPEAR

    Corbett, J.; Keeley, D.; Hettel, R.; Linscott, I.; Sebek, J.

    1994-06-01

    A global orbit feedback system has been installed on SPEAR to help stabilize the position of the photon beams. The orbit control algorithms depend on either harmonic reconstruction of the orbit or eigenvector decomposition. The orbit motion is corrected by dipole corrector kicks determined from the inverse corrector-to-bpm response matrix. This paper outlines features of these control algorithms as applied to SPEAR

  14. Orbital parameters of extrasolar planets derived from polarimetry

    Fluri, D. M.; Berdyugina, S. V.

    2010-03-01

    Context. Polarimetry of extrasolar planets becomes a new tool for their investigation, which requires the development of diagnostic techniques and parameter case studies. Aims: Our goal is to develop a theoretical model which can be applied to interpret polarimetric observations of extrasolar planets. Here we present a theoretical parameter study that shows the influence of the various involved parameters on the polarization curves. Furthermore, we investigate the robustness of the fitting procedure. We focus on the diagnostics of orbital parameters and the estimation of the scattering radius of the planet. Methods: We employ the physics of Rayleigh scattering to obtain polarization curves of an unresolved extrasolar planet. Calculations are made for two cases: (i) assuming an angular distribution for the intensity of the scattered light as from a Lambert sphere and for polarization as from a Rayleigh-type scatterer; and (ii) assuming that both the intensity and polarization of the scattered light are distributed according to the Rayleigh law. We show that the difference between these two cases is negligible for the shapes of the polarization curves. In addition, we take the size of the host star into account, which is relevant for hot Jupiters orbiting giant stars. Results: We discuss the influence of the inclination of the planetary orbit, the position angle of the ascending node, and the eccentricity on the linearly polarized light curves both in Stokes Q/I and U/I. We also analyze errors that arise from the assumption of a point-like star in numerical modeling of polarization as compared to consistent calculations accounting for the finite size of the host star. We find that errors due to the point-like star approximation are reduced with the size of the orbit, but still amount to about 5% for known hot Jupiters. Recovering orbital parameters from simulated data is shown to be very robust even for very noisy data because the polarization curves react

  15. Traumatic orbital encephalocele: Presentation and imaging.

    Wei, Leslie A; Kennedy, Tabassum A; Paul, Sean; Wells, Timothy S; Griepentrog, Greg J; Lucarelli, Mark J

    2016-01-01

    Traumatic orbital encephalocele is a rare but severe complication of orbital roof fractures. We describe 3 cases of orbital encephalocele due to trauma in children. Retrospective case series from the University of Wisconsin - Madison and Medical College of Wisconsin. Three cases of traumatic orbital encephalocele in pediatric patients were found. The mechanism of injury was motor vehicle accident in 2 patients and accidental self-inflicted gunshot wound in 1 patient. All 3 patients sustained orbital roof fractures (4 mm to 19 mm in width) and frontal lobe contusions with high intracranial pressure. A key finding in all 3 cases was progression of proptosis and globe displacement 4 to 11 days after initial injury. On initial CT, all were diagnosed with extraconal hemorrhage adjacent to the roof fractures, with subsequent enlargement of the mass and eventual diagnosis of encephalocele. Orbital encephalocele is a severe and sight-threatening complication of orbital roof fractures. Post-traumatic orbital encephalocele can be challenging to diagnose on CT as patients with this condition often have associated orbital and intracranial hematoma, which can be difficult to distinguish from herniated brain tissue. When there is a high index of suspicion for encephalocele, an MRI of the orbits and brain with contrast should be obtained for additional characterization. Imaging signs that should raise suspicion for traumatic orbital encephalocele include an enlarging heterogeneous orbital mass in conjunction with a roof fracture and/or widening fracture segments.

  16. [1012.5676] The Exoplanet Orbit Database

    : The Exoplanet Orbit Database Authors: Jason T Wright, Onsi Fakhouri, Geoffrey W. Marcy, Eunkyu Han present a database of well determined orbital parameters of exoplanets. This database comprises parameters, and the method used for the planets discovery. This Exoplanet Orbit Database includes all planets

  17. The orbital record in stratigraphy

    Fischer, Alfred G.

    1992-01-01

    Orbital signals are being discovered in pre-Pleistocene sediments. Due to their hierarchical nature these cycle patterns are complex, and the imprecision of geochronology generally makes the assignment of stratigraphic cycles to specific orbital cycles uncertain, but in sequences such as the limnic Newark Group under study by Olsen and pelagic Cretaceous sequence worked on by our Italo-American group the relative frequencies yield a definitive match to the Milankovitch hierarchy. Due to the multiple ways in which climate impinges on depositional systems, the orbital signals are recorded in a multiplicity of parameters, and affect different sedimentary facies in different ways. In platform carbonates, for example, the chief effect is via sea-level variations (possibly tied to fluctuating ice volume), resulting in cycles of emergence and submergence. In limnic systems it finds its most dramatic expression in alternations of lake and playa conditions. Biogenic pelagic oozes such as chalks and the limestones derived from them display variations in the carbonate supplied by planktonic organisms such as coccolithophores and foraminifera, and also record variations in the aeration of bottom waters. Whereas early studies of stratigraphic cyclicity relied mainly on bedding variations visible in the field, present studies are supplementing these with instrumental scans of geochemical, paleontological, and geophysical parameters which yield quantitative curves amenable to time-series analysis; such analysis is, however, limited by problems of distorted time-scales. My own work has been largely concentrated on pelagic systems. In these, the sensitivity of pelagic organisms to climatic-oceanic changes, combined with the sensitivity of botton life to changes in oxygen availability (commonly much more restricted in the Past than now) has left cyclic patterns related to orbital forcing. These systems are further attractive because (1) they tend to offer depositional continuity

  18. Prospective Ukrainian lunar orbiter mission

    Shkuratov, Y.; Litvinenko, L.; Shulga, V.; Yatskiv, Y.; Kislyuk, V.

    Ukraine has launch vehicles that are able to deliver about 300 kg to the lunar orbit. Future Ukrainian lunar program may propose a polar orbiter. This orbiter should fill principal information gaps in our knowledge about the Moon after Clementine and Lunar Prospector missions and the future missions, like Smart-1, Lunar-A, and Selene. We consider that this can be provided by radar studies of the Moon with supporting optical polarimetric observations from lunar polar orbit. These experiments allow one to better understand global structure of the lunar surface in a wide range of scales, from microns to kilometers. We propose three instruments for the prospective lunar orbiter. They are: a synthetic aperture imaging radar (SAR), ground-penetrating radar (GPR), and imaging polarimeter (IP). The main purpose of SAR is to study with high resolution (50 m) the permanently shadowed sites in the lunar polar regions. These sites are cold traps for volatiles, and have a potential of resource utilization. Possible presence of water ice in the regolith in the sites makes them interesting for permanent manned bases on the Moon. Radar imaging and mapping of other interesting regions could be also planned. Multi-frequencies multi-polarization soun d ing of the lunar surface with GPR can provide information about internal structure of the lunar surface from meters to several hundred meters deep. GPR can be used for measuring the megaregolith layer properties, detection of cryptomaria, and studies of internal structure of the largest craters. IP will be a CCD camera with an additional suite of polarizers. Modest spatial resolution (100 m) should provide a total coverage or a large portion of the lunar surface in oblique viewing basically at large phase angles. Polarization degree at large (>90°) phase angles bears information about characteristic size of the regolith particles. Additional radiophysical experiments are considered with the use of the SAR system, e.g., bistatic radar

  19. Finite-dimensional linear algebra

    Gockenbach, Mark S

    2010-01-01

    Some Problems Posed on Vector SpacesLinear equationsBest approximationDiagonalizationSummaryFields and Vector SpacesFields Vector spaces Subspaces Linear combinations and spanning sets Linear independence Basis and dimension Properties of bases Polynomial interpolation and the Lagrange basis Continuous piecewise polynomial functionsLinear OperatorsLinear operatorsMore properties of linear operatorsIsomorphic vector spaces Linear operator equations Existence and uniqueness of solutions The fundamental theorem; inverse operatorsGaussian elimination Newton's method Linear ordinary differential eq

  20. Robust Tracking Control for Rendezvous in Near-Circular Orbits

    Neng Wan

    2013-01-01

    Full Text Available This paper investigates a robust guaranteed cost tracking control problem for thrust-limited spacecraft rendezvous in near-circular orbits. Relative motion model is established based on the two-body problem with noncircularity of the target orbit described as a parameter uncertainty. A guaranteed cost tracking controller with input saturation is designed via a linear matrix inequality (LMI method, and sufficient conditions for the existence of the robust tracking controller are derived, which is more concise and less conservative compared with the previous works. Numerical examples are provided for both time-invariant and time-variant reference signals to illustrate the effectiveness of the proposed control scheme when applied to the terminal rendezvous and other astronautic missions with scheduled states signal.

  1. Glacial cycles: exogenous orbital changes vs. endogenous climate dynamics

    Kaufmann, R. K.; Juselius, K.

    2010-04-01

    We use a statistical model, the cointegrated vector autoregressive model, to assess the degree to which variations in Earth's orbit and endogenous climate dynamics can be used to simulate glacial cycles during the late Quaternary (390 kyr-present). To do so, we estimate models of varying complexity and compare the accuracy of their in-sample simulations. Results indicate that strong statistical associations between endogenous climate variables are not enough for statistical models to reproduce glacial cycles. Rather, changes in solar insolation associated with changes in Earth's orbit are needed to simulate glacial cycles accurately. Also, results suggest that non-linear dynamics, threshold effects, and/or free oscillations may not play an overriding role in glacial cycles.

  2. Hopping magnetotransport via nonzero orbital momentum states and organic magnetoresistance.

    Alexandrov, Alexandre S; Dediu, Valentin A; Kabanov, Victor V

    2012-05-04

    In hopping magnetoresistance of doped insulators, an applied magnetic field shrinks the electron (hole) s-wave function of a donor or an acceptor and this reduces the overlap between hopping sites resulting in the positive magnetoresistance quadratic in a weak magnetic field, B. We extend the theory of hopping magnetoresistance to states with nonzero orbital momenta. Different from s states, a weak magnetic field expands the electron (hole) wave functions with positive magnetic quantum numbers, m>0, and shrinks the states with negative m in a wide region outside the point defect. This together with a magnetic-field dependence of injection/ionization rates results in a negative weak-field magnetoresistance, which is linear in B when the orbital degeneracy is lifted. The theory provides a possible explanation of a large low-field magnetoresistance in disordered π-conjugated organic materials.

  3. Parameningeal rhabdomyosarcoma (including the orbit): results of orbital irradiation

    Jereb, B.; Haik, B.G.; Ong, R.; Ghavimi, F.

    1985-01-01

    Twenty-three patients with parameningeal (including orbital rhabdomyosarcoma (RMS)) were treated at Memorial Sloan-Kettering Cancer Center (MSKCC) between July 1971 and January 1983. Twenty were children with a mean age of 6 and 3 were adults. In 6 patients, the primary tumor was from the orbit, whereas the remaining 17 had other parameningeal primary sites. The tumors were in a very progressive local stage, with extensive destruction of the facial bones in 19 patients. Eight patients were treated with T2 chemotherapy protocol and 15 received T6. Seven patients received 5,000 to 7,200 rad delivered to the primary tumor in 11-16 weeks, 15 patients received between 4,500 to 5,000 rad in 4-7 weeks, and 1 patient received 3,000 rad in 3 weeks for residual microscopic disease following surgery. Two patients were treated with radiation to the whole brain; no patients received radiation of the whole central nervous axis (CNA). Fifteen of the 23 patients (65%) are alive and well with a medical follow-up time of 5 years. Two patients died of therapeutic complications and six died of tumor spread. In five patients, involvement of the central nervous system (CNS) was the cause of death. The prognosis of orbital RMS with parameningeal involvement is no better than in other tumors of parameningeal sites. In those patients who had impaired vision because of optic nerve damage prior to treatment, the vision did not improve following treatment. There was no impaired vision seen due to radiation damage of eye structures except in the lens

  4. Linearity and Non-linearity of Photorefractive effect in Materials ...

    In this paper we have studied the Linearity and Non-linearity of Photorefractive effect in materials using the band transport model. For low light beam intensities the change in the refractive index is proportional to the electric field for linear optics while for non- linear optics the change in refractive index is directly proportional ...

  5. Linearly Refined Session Types

    Pedro Baltazar

    2012-11-01

    Full Text Available Session types capture precise protocol structure in concurrent programming, but do not specify properties of the exchanged values beyond their basic type. Refinement types are a form of dependent types that can address this limitation, combining types with logical formulae that may refer to program values and can constrain types using arbitrary predicates. We present a pi calculus with assume and assert operations, typed using a session discipline that incorporates refinement formulae written in a fragment of Multiplicative Linear Logic. Our original combination of session and refinement types, together with the well established benefits of linearity, allows very fine-grained specifications of communication protocols in which refinement formulae are treated as logical resources rather than persistent truths.

  6. Linear Water Waves

    Kuznetsov, N.; Maz'ya, V.; Vainberg, B.

    2002-08-01

    This book gives a self-contained and up-to-date account of mathematical results in the linear theory of water waves. The study of waves has many applications, including the prediction of behavior of floating bodies (ships, submarines, tension-leg platforms etc.), the calculation of wave-making resistance in naval architecture, and the description of wave patterns over bottom topography in geophysical hydrodynamics. The first section deals with time-harmonic waves. Three linear boundary value problems serve as the approximate mathematical models for these types of water waves. The next section uses a plethora of mathematical techniques in the investigation of these three problems. The techniques used in the book include integral equations based on Green's functions, various inequalities between the kinetic and potential energy and integral identities which are indispensable for proving the uniqueness theorems. The so-called inverse procedure is applied to constructing examples of non-uniqueness, usually referred to as 'trapped nodes.'

  7. The International Linear Collider

    List Benno

    2014-04-01

    Full Text Available The International Linear Collider (ILC is a proposed e+e− linear collider with a centre-of-mass energy of 200–500 GeV, based on superconducting RF cavities. The ILC would be an ideal machine for precision studies of a light Higgs boson and the top quark, and would have a discovery potential for new particles that is complementary to that of LHC. The clean experimental conditions would allow the operation of detectors with extremely good performance; two such detectors, ILD and SiD, are currently being designed. Both make use of novel concepts for tracking and calorimetry. The Japanese High Energy Physics community has recently recommended to build the ILC in Japan.

  8. The International Linear Collider

    List, Benno

    2014-04-01

    The International Linear Collider (ILC) is a proposed e+e- linear collider with a centre-of-mass energy of 200-500 GeV, based on superconducting RF cavities. The ILC would be an ideal machine for precision studies of a light Higgs boson and the top quark, and would have a discovery potential for new particles that is complementary to that of LHC. The clean experimental conditions would allow the operation of detectors with extremely good performance; two such detectors, ILD and SiD, are currently being designed. Both make use of novel concepts for tracking and calorimetry. The Japanese High Energy Physics community has recently recommended to build the ILC in Japan.

  9. Dimension of linear models

    Høskuldsson, Agnar

    1996-01-01

    Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four...... the basic problems in determining the dimension of linear models. Then each of the eight measures are treated. The results are illustrated by examples....... of these criteria are widely used ones, while the remaining four are ones derived from the H-principle of mathematical modeling. Many examples from practice show that the criteria derived from the H-principle function better than the known and popular criteria for the number of components. We shall briefly review...

  10. Reciprocating linear motor

    Goldowsky, Michael P. (Inventor)

    1987-01-01

    A reciprocating linear motor is formed with a pair of ring-shaped permanent magnets having opposite radial polarizations, held axially apart by a nonmagnetic yoke, which serves as an axially displaceable armature assembly. A pair of annularly wound coils having axial lengths which differ from the axial lengths of the permanent magnets are serially coupled together in mutual opposition and positioned with an outer cylindrical core in axial symmetry about the armature assembly. One embodiment includes a second pair of annularly wound coils serially coupled together in mutual opposition and an inner cylindrical core positioned in axial symmetry inside the armature radially opposite to the first pair of coils. Application of a potential difference across a serial connection of the two pairs of coils creates a current flow perpendicular to the magnetic field created by the armature magnets, thereby causing limited linear displacement of the magnets relative to the coils.

  11. Duality in linearized gravity

    Henneaux, Marc; Teitelboim, Claudio

    2005-01-01

    We show that duality transformations of linearized gravity in four dimensions, i.e., rotations of the linearized Riemann tensor and its dual into each other, can be extended to the dynamical fields of the theory so as to be symmetries of the action and not just symmetries of the equations of motion. Our approach relies on the introduction of two superpotentials, one for the spatial components of the spin-2 field and the other for their canonically conjugate momenta. These superpotentials are two-index, symmetric tensors. They can be taken to be the basic dynamical fields and appear locally in the action. They are simply rotated into each other under duality. In terms of the superpotentials, the canonical generator of duality rotations is found to have a Chern-Simons-like structure, as in the Maxwell case

  12. The SLAC linear collider

    Phinney, N.

    1992-01-01

    The SLAC Linear Collider has begun a new era of operation with the SLD detector. During 1991 there was a first engineering run for the SLD in parallel with machine improvements to increase luminosity and reliability. For the 1992 run, a polarized electron source was added and more than 10,000 Zs with an average of 23% polarization have been logged by the SLD. This paper discusses the performance of the SLC in 1991 and 1992 and the technical advances that have produced higher luminosity. Emphasis will be placed on issues relevant to future linear colliders such as producing and maintaining high current, low emittance beams and focusing the beams to the micron scale for collisions. (Author) tab., 2 figs., 18 refs

  13. Linear waves and instabilities

    Bers, A.

    1975-01-01

    The electrodynamic equations for small-amplitude waves and their dispersion relation in a homogeneous plasma are outlined. For such waves, energy and momentum, and their flow and transformation, are described. Perturbation theory of waves is treated and applied to linear coupling of waves, and the resulting instabilities from such interactions between active and passive waves. Linear stability analysis in time and space is described where the time-asymptotic, time-space Green's function for an arbitrary dispersion relation is developed. The perturbation theory of waves is applied to nonlinear coupling, with particular emphasis on pump-driven interactions of waves. Details of the time--space evolution of instabilities due to coupling are given. (U.S.)

  14. Extended linear chain compounds

    Linear chain substances span a large cross section of contemporary chemistry ranging from covalent polymers, to organic charge transfer com­ plexes to nonstoichiometric transition metal coordination complexes. Their commonality, which coalesced intense interest in the theoretical and exper­ imental solid state physics/chemistry communities, was based on the obser­ vation that these inorganic and organic polymeric substrates exhibit striking metal-like electrical and optical properties. Exploitation and extension of these systems has led to the systematic study of both the chemistry and physics of highly and poorly conducting linear chain substances. To gain a salient understanding of these complex materials rich in anomalous aniso­ tropic electrical, optical, magnetic, and mechanical properties, the conver­ gence of diverse skills and talents was required. The constructive blending of traditionally segregated disciplines such as synthetic and physical organic, inorganic, and polymer chemistry, crystallog...

  15. Similarity in Bilateral Isolated Internal Orbital Fractures.

    Chen, Hung-Chang; Cox, Jacob T; Sanyal, Abanti; Mahoney, Nicholas R

    2018-04-13

    In evaluating patients sustaining bilateral isolated internal orbital fractures, the authors have observed both similar fracture locations and also similar expansion of orbital volumes. In this study, we aim to investigate if there is a propensity for the 2 orbits to fracture in symmetrically similar patterns when sustaining similar trauma. A retrospective chart review was performed studying all cases at our institution of bilateral isolated internal orbital fractures involving the medial wall and/or the floor at the time of presentation. The similarity of the bilateral fracture locations was evaluated using the Fisher's exact test. The bilateral expanded orbital volumes were analyzed using the Wilcoxon signed-rank test to assess for orbital volume similarity. Twenty-four patients with bilateral internal orbital fractures were analyzed for fracture location similarity. Seventeen patients (70.8%) had 100% concordance in the orbital subregion fractured, and the association between the right and the left orbital fracture subregion locations was statistically significant (P < 0.0001). Fifteen patients were analyzed for orbital volume similarity. The average orbital cavity volume was 31.2 ± 3.8 cm on the right and 32.0 ± 3.7 cm on the left. There was a statistically significant difference between right and left orbital cavity volumes (P = 0.0026). The data from this study suggest that an individual who suffers isolated bilateral internal orbital fractures has a statistically significant similarity in the location of their orbital fractures. However, there does not appear to be statistically significant similarity in the expansion of the orbital volumes in these patients.

  16. Cassini ISS Observation of Saturn from Grand Finale Orbits

    Blalock, J. J.; Sayanagi, K. M.; Ingersoll, A. P.; Dyudina, U.; Ewald, S. P.; McCabe, R. M.; Garland, J.; Gunnarson, J.; Gallego, A.

    2017-12-01

    We present images captured during Cassini's Grand Finale orbits, and their preliminary analyses. During the final 22 orbits of the mission, the spacecraft is in orbits that have 6.5 day period at an inclination of 62 degrees, apoapsis altitude of about 1,272,000 km, and periapsis altitudes of about 2,500 km. Images captured during periapsis passes show Saturn's atmosphere at unprecedented spatial resolution. We present preliminary analyses of these images, including the final images captured before the end of the mission when the spacecraft enters Saturn's atmosphere on September 15th, 2017. Prominent features captured during the final orbits include the north polar vortex and other vortices as well as very detailed views of the "popcorn clouds" that reside between the Hexagon and the north pole. In the cloud field between zonal jets, clouds either resemble linear streaks suggestive of cirrus-like clouds or round shapes suggestive of vortices or cumulus anvil. The presence of linear streaks that follow lines of constant latitudes suggests that meridional mixing is inhibited at those latitudes. The size of vortices may reflect latitudinal variation in the atmospheric deformation radius. We also compare the new images to those captured earlier in the Cassini mission to characterize the temporal evolution such as changes in the zonal jet speeds, and prevalence and colors of vortices. A particular focus of our interest is the long-term change in the color of the hexagon, the evolution of the wind speeds in the jetstream that blows eastward at the boundary of the hexagon, and the morphology of the north polar vortex. Our work has been supported by NASA PATM NNX14AK07G, NSF AAG 1212216, and NASA NESSF NNX15AQ70H.

  17. Non-linear osmosis

    Diamond, Jared M.

    1966-01-01

    1. The relation between osmotic gradient and rate of osmotic water flow has been measured in rabbit gall-bladder by a gravimetric procedure and by a rapid method based on streaming potentials. Streaming potentials were directly proportional to gravimetrically measured water fluxes. 2. As in many other tissues, water flow was found to vary with gradient in a markedly non-linear fashion. There was no consistent relation between the water permeability and either the direction or the rate of water flow. 3. Water flow in response to a given gradient decreased at higher osmolarities. The resistance to water flow increased linearly with osmolarity over the range 186-825 m-osM. 4. The resistance to water flow was the same when the gall-bladder separated any two bathing solutions with the same average osmolarity, regardless of the magnitude of the gradient. In other words, the rate of water flow is given by the expression (Om — Os)/[Ro′ + ½k′ (Om + Os)], where Ro′ and k′ are constants and Om and Os are the bathing solution osmolarities. 5. Of the theories advanced to explain non-linear osmosis in other tissues, flow-induced membrane deformations, unstirred layers, asymmetrical series-membrane effects, and non-osmotic effects of solutes could not explain the results. However, experimental measurements of water permeability as a function of osmolarity permitted quantitative reconstruction of the observed water flow—osmotic gradient curves. Hence non-linear osmosis in rabbit gall-bladder is due to a decrease in water permeability with increasing osmolarity. 6. The results suggest that aqueous channels in the cell membrane behave as osmometers, shrinking in concentrated solutions of impermeant molecules and thereby increasing membrane resistance to water flow. A mathematical formulation of such a membrane structure is offered. PMID:5945254

  18. Fundamentals of linear algebra

    Dash, Rajani Ballav

    2008-01-01

    FUNDAMENTALS OF LINEAR ALGEBRA is a comprehensive Text Book, which can be used by students and teachers of All Indian Universities. The Text has easy, understandable form and covers all topics of UGC Curriculum. There are lots of worked out examples which helps the students in solving the problems without anybody's help. The Problem sets have been designed keeping in view of the questions asked in different examinations.

  19. Linear network theory

    Sander, K F

    1964-01-01

    Linear Network Theory covers the significant algebraic aspect of network theory, with minimal reference to practical circuits. The book begins the presentation of network analysis with the exposition of networks containing resistances only, and follows it up with a discussion of networks involving inductance and capacity by way of the differential equations. Classification and description of certain networks, equivalent networks, filter circuits, and network functions are also covered. Electrical engineers, technicians, electronics engineers, electricians, and students learning the intricacies

  20. Non linear viscoelastic models

    Agerkvist, Finn T.

    2011-01-01

    Viscoelastic eects are often present in loudspeaker suspensions, this can be seen in the displacement transfer function which often shows a frequency dependent value below the resonance frequency. In this paper nonlinear versions of the standard linear solid model (SLS) are investigated....... The simulations show that the nonlinear version of the Maxwell SLS model can result in a time dependent small signal stiness while the Kelvin Voight version does not....