Search results for " function"
showing 10 items of 9395 documents
Quasiadditivity of Variational Capacity
2013
We study the quasiadditivity property (a version of superadditivity with a multiplicative constant) of variational capacity in metric spaces with respect to Whitney type covers. We characterize this property in terms of a Mazya type capacity condition, and also explore the close relation between quasiadditivity and Hardy's inequality.
The role of correlations in the high-pressure phase of FeSe
2011
This study addresses the structural and electronic properties of the NiAs- and MnP-type phases dominating in FeSe at high pressures. The analysis is performed using first-principle band structure calculations within the framework of the B3LYP hybrid exchange-correlation functional. Based on the volume-pressure relation deduced from the available experimental data, we optimize the form and internal coordinates of the unit cell, which agree reasonably well with experiment. In particular, the present calculations resolve the structural NiAs-MnP phase transition which occurs at about 10 GPa. Both structures are found to be semiconducting at low pressures and metallizing at about 80-90 GPa. Usin…
Electronic Properties, Band Structure, and Fermi Surface Instabilities ofNi1+/Ni2+NickelateLa3Ni2O6, Isoelectronic with Superconducting Cuprates
2009
Electronic structure calculations were performed for the mixed-valent Ni(1+)/Ni(2+) nickelate La3Ni2O6, which exhibits electronic instabilities of the Fermi surface similar to that of the isostructural superconducting La2CaCu2O6 cuprate. La3Ni2O6 shows activated hopping, which fits to Mott's variable-range-hopping model with localized states near the Fermi level. However, a simple local spin density approximation calculation leads to a metallic ground state. The calculations including local density approximation+Hubbard U and hybrid functionals indicate a multiply degenerate magnetic ground state. For electron-doped La2ZrNi2O6, which is isoelectronic with La2CaCu2O6, an antiferromagnetic in…
Structure of 106In nucleus
1990
Abstract Single-γ, γγ-coincidence, and γ-ray angular distribution spectra of the 106Cd(p, nγ)106In reaction were measured with Ge(HP), Ge(Li), and Ge(LEPS) detectors at various bombarding proton energies between 8 and 11 MeV. Altogether 141 (among them 117 new) transitions have been assigned to 106In. The conversion electrons were studied with an intermediate-image magnetic spectrometer plus Si(Li) detector, as well as with a superconducting magnetic lens combined with a Si(Li) detector. Internal conversion coefficients have been determined for 22 transitions. A more complete level scheme of 106In, containing 49 levels below 1650 keV excitation energy, has been proposed. On the basis of the…
Evidence for eight node mixed-symmetry superconductivity in a correlated organic metal
2015
We report a combined theoretical and experimental investigation of the superconducting state in the quasi-two-dimensional organic superconductor $\kappa$-(ET)$_2$Cu[N(CN)$_2$]Br. Applying spin-fluctuation theory to a low-energy material-specific Hamiltonian derived from ab initio density functional theory we calculate the quasiparticle density of states in the superconducting state. We find a distinct three-peak structure that results from a strongly anisotropic mixed-symmetry superconducting gap with eight nodes and twofold rotational symmetry. This theoretical prediction is supported by low-temperature scanning tunneling spectroscopy on in situ cleaved single crystals of $\kappa$-(ET)$_2$…
Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide
2009
A recently introduced coarse-grained pair potential for carbon dioxide molecules is used to compute structural properties in the supercritical region near the critical point, applying Monte Carlo simulations. In this model, molecules are described as point particles, interacting with Lennard-Jones (LJ) forces and a (isotropically averaged) quadrupole–quadrupole potential, the LJ parameters being chosen such that gratifying agreement with the experimental phase diagram near the critical point is obtained. It is shown that the model gives also a reasonable account of the pair correlation function, although in the nearest neighbour shell some systematic discrepancies between the model predicti…
G1-Blend between a Differentiable Superquadric of Revolution and a Plane or a Sphere Using Dupin Cyclides
2008
In this article, we present a method to perform G1-continuous blends between a differentiable superquadric of revolution and a plane or a sphere using Dupin cyclides. These blends are patches delimited by four lines of curvature. They allow to avoid parameterization problems that may occur when parametric surfaces are used. Rational quadratic Bezier curves are used to approximate the principal circles of the Dupin cyclide blends and thus a complex 3D problem is now reduced to a simpler 2D problem. We present the necessary conditions to be satisfied to create the blending patches and illustrate our approach by a number of superellipsoid/plane and superellipsoid/sphere blending examples.
Injection of atoms and molecules in a superfluid helium fountain: Cu and Cu2He(n) (n = 1, ..., ∞).
2011
We introduce an experimental platform designed around a thermomechanical helium fountain, which is aimed at investigating spectroscopy and dynamics of atoms and molecules in the superfluid and at its vapor interface. Laser ablation of copper, efficient cooling and transport of Cu and Cu(2) through helium vapor (1.5 K < T < 20 K), formation of linear and T-shaped Cu(2)-He complexes, and their continuous evolution into large Cu(2)-He(n) clusters and droplets are among the processes that are illustrated. Reflection is the dominant quantum scattering channel of translationally cold copper atoms (T = 1.7 K) at the fountain interface. Cu(2) dimers mainly travel through the fountain unimpeded. How…
Time-domain analysis of electronic spectra in superfluid 4He
2004
Abstract Electronic absorption spectra of impurities in superfluid helium is developed in time domain, using time-dependent density functional theory to describe liquid 4 He and time-dependent perturbation theory to describe the electronic degrees of freedom of the impurity. Angularly isotropic potentials are used to describe the molecule–helium interactions in the ground and excited electronic states. The calculations rationalize experimentally observed phonon side-bands in 4 He droplets and in bulk helium, and allow assignments of spectral features to specific motions of the liquid.
Stochastic model for complex surface-reaction systems with application toNH3formation
1993
A stochastic model is introduced that is appropriate to describe surface-reaction systems. These reaction systems are well suited for the description via master equations using their Markovian behavior. In this representation an infinite chain of master equations for the distribution functions of the state of the surface, of pairs of surface sites, etc., arises. This hierarchy is truncated by a superposition approximation. The resulting lattice equations are solved in a small region which contains all of the structure-sensitive aspects and can be connected to continuous functions which represent the behavior of the system for large distances from a reference point. In the present paper, we …