376 research outputs found
Nonlinear synthetic unit hydrograph method that accounts for channel network type, A
2018 Spring.Includes bibliographical references.Stormflow hydrographs are commonly estimated using synthetic unit hydrograph (UH) methods, particularly for ungauged basins. Current synthetic UHs either consider very limited aspects of basin geometry or require explicit representation of the basin flow paths. None explicitly considers the channel network type (i.e., dendritic, parallel, pinnate, rectangular, and trellis). The goal of this study is to develop and test a nonlinear synthetic UH that explicitly accounts for the network type. The synthetic UH is developed using kinematic wave travel time expressions for hillslope and channel points in the basin. The effects of the network structure are then isolated into two random variables whose distributions are estimated based on the network type. The proposed method is applied to ten basins from each classification and compared to other related methods. The results suggest that considering network type improves the estimated UHs with the largest improvements seen for dendritic, parallel, and pinnate networks
Tris+/Na+ permeability ratios of nicotinic acetylcholine receptors are reduced by mutations near the intracellular end of the M2 region
Tris+/Na+ permeability ratios were measured from shifts in the biionic reversal potentials of the macroscopic ACh-induced currents for 3 wild- type (WT), 1 hybrid, 2 subunit-deficient, and 25 mutant nicotinic receptors expressed in Xenopus oocytes. At two positions near the putative intracellular end of M2, 2' (alpha Thr244, beta Gly255, gamma Thr253, delta Ser258) and -1', point mutations reduced the relative Tris+ permeability of the mouse receptor as much as threefold. Comparable mutations at several other positions had no effects on relative Tris+ permeability. Mutations in delta had a greater effect on relative Tris+ permeability than did comparable mutations in gamma; omission of the mouse delta subunit (delta 0 receptor) or replacement of mouse delta with Xenopus delta dramatically reduced relative Tris+ permeability. The WT mouse muscle receptor (alpha beta gamma delta) had a higher relative permeability to Tris+ than the wild-type Torpedo receptor. Analysis of the data show that (a) changes in the Tris+/Na+ permeability ratio produced by mutations correlate better with the hydrophobicity of the amino acid residues in M2 than with their volume; and (b) the mole-fraction dependence of the reversal potential in mixed Na+/Tris+ solutions is approximately consistent with the Goldman- Hodgkin-Katz voltage equation. The results suggest that the main ion selectivity filter for large monovalent cations in the ACh receptor channel is the region delimited by positions -1' and 2' near the intracellular end of the M2 helix
Damping mechanism for the strongly renormalized -axis charge transport in high- cuprate superconductors
We analyze the -axis infrared reflectivity of
LaSrCuO single crystals. The plasma edge near 6 meV,
observed below , is due to Cooper-pair tunneling. This low value of the
plasma edge is consistent with the -axis plasma frequency () obtained
from LDA calculations ( eV) if we take into account that the
single-particle charge transport along the axis is strongly incoherent both
above and below . We find no evidence for a reduction of the -axis
scattering rate () below . Our investigation suggests
, which is exactly opposite to the clean limit.
VSGD.94.6.1Comment: 4 pages, figures on request. Revtex, version 2, Materials Science
Center Internal Report Number VSGD.94.6.
Performance of a digital signal processing algorithm for the accurate quantification of cough frequency
Ab Initio Evidence for the Formation of Impurity d(3z^2-r^2) Holes in Doped La_{2-x}Sr_xCuO_4
Using the spin unrestricted Becke-3-Lee-Yang-Parr density functional, we
computed the electronic structure of explicitly doped La_{2-x}Sr_xCuO_4 (x =
0.125, 0.25, and 0.5). At each doping level, an impurity hole band is formed
within the undoped insulating gap. This band is well-localized to CuO_6
octahedra adjacent to the Sr impurities. The nature of the impurity hole is
A_{1g} in symmetry, formed primarily from the z^2 orbital on the Cu and p_z
orbitals on the apical O's. There is a strong triplet coupling of this hole
with the intrinsic B_{1g} Cu x^2-y^2/O1 p_{sigma} hole on the same site.
Optimization of the c coordinate of the apical O's in the doped CuO_6
octahedron lead to an asymmetric anti-Jahn-Teller distortion of the O2 atoms
toward the central Cu. In particular, the O2 atom between the Cu and Sr is
displaced 0.26 A while the O2 atom between the Cu and La is displaced 0.10 A.
Contrary to expectations, investigation of a 0.1 A enhanced Jahn-Teller
distortion of this octahedron does not force formation of an x^2-y^2 hole, but
instead leads to migration of the z^2 hole to the four other CuO_6 octahedra
surrounding the Sr impurity. This latter observation offers a simple
explanation for the bifurcation of the Sr-O2 distance revealed in x-ray
absorption fine structure data.Comment: Submitted to Phys. Rev. B. See http://www.firstprinciples.com for
more informatio
The Antiferromagnetic Band Structure of La2CuO4 Revisited
Using the Becke-3-LYP functional, we have performed band structure
calculations on the high temperature superconductor parent compound, La2CuO4.
Under the restricted spin formalism (rho(alpha) equal to rho(beta)), the
R-B3LYP band structure agrees well with the standard LDA band structure. It is
metallic with a single Cu x2-y2/O p(sigma) band crossing the Fermi level. Under
the unrestricted spin formalism (rho(alpha) not equal to rho(beta)), the UB3LYP
band structure has a spin polarized antiferromagnetic solution with a band gap
of 2.0 eV, agreeing well with experiment. This state is 1.0 eV (per formula
unit) lower than that calculated from the R-B3LYP. The apparent high energy of
the spin restricted state is attributed to an overestimate of on-site Coulomb
repulsion which is corrected in the unrestricted spin calculations. The
stabilization of the total energy with spin polarization arises primarily from
the stabilization of the x2-y2 band, such that the character of the eigenstates
at the top of the valence band in the antiferromagnetic state becomes a strong
mixture of Cu x2-y2/O p(sigma) and Cu z2/O' p(z). Since the Hohenberg-Kohn
theorem requires the spin restricted and spin unrestricted calculations give
exactly the same ground state energy and total density for the exact
functionals, this large disparity in energy reflects the inadequacy of current
functionals for describing the cuprates. This calls into question the use of
band structures based on current restricted spin density functionals (including
LDA) as a basis for single band theories of superconductivity in these
materials.Comment: 13 pages, 8 figures, to appear in Phys. Rev. B, for more information
see http://www.firstprinciples.co
Mathematical programming modelling tools for resource-poor countries and organisations
In recent years, powerful mathematical modelling languages have enabled Operational Research practitioners to rapidly develop prototype tools capable of modelling complex managerial decisions such as staff shift scheduling, or production and supply chain planning. However, such tools have often required expensive commercial optimisation solvers that are sometimes beyond the financial reach of small companies and organisations, particularly in the low-income and emerging economies. Fortunately, the worldwide scope of the internet has put powerful free optimisation tools within the reach of anyone with a modest PC and even a slow internet connection. This article will present examples showing just how beneficial such an approach can be for resource-poor organisations
Threshold electronic structure at the oxygen K edge of 3d transition metal oxides: a configuration interaction approach
It has been generally accepted that the threshold structure observed in the
oxygen K edge X-ray absorption spectrum in 3d transition metal oxides
represents the electronic structure of the 3d transition metal. There is,
however, no consensus about the correct description. We present an
interpretation, which includes both ground state hybridization and electron
correlation. It is based on a configuration interaction cluster calculation
using a MO6 cluster. The oxygen K edge spectrum is calculated by annihilating a
ligand hole in the ground state and is compared to calculations representing
inverse photoemission experiments in which a 3d transition metal electron is
added. Clear differences are observed related to the amount of ligand hole
created in the ground state. Two "rules" connected to this are discussed.
Comparison with experimental data of some early transition metal compounds is
made and shows that this simple cluster approach explains the experimental
features quite well.Comment: 10 pages, submitted to Phys. Rev. B, tried to make a better PS file
Antinociceptive and Hypothermic Effects of Salvinorin A Are Abolished in a Novel Strain of κ-Opioid Receptor-1 Knockout Mice
Insights into the function of silver as an oxidation catalyst by ab initio, atomistic thermodynamics
To help understand the high activity of silver as an oxidation catalyst,
e.g., for the oxidation of ethylene to epoxide and the dehydrogenation of
methanol to formaldehyde, the interaction and stability of oxygen species at
the Ag(111) surface has been studied for a wide range of coverages. Through
calculation of the free energy, as obtained from density-functional theory and
taking into account the temperature and pressure via the oxygen chemical
potential, we obtain the phase diagram of O/Ag(111). Our results reveal that a
thin surface-oxide structure is most stable for the temperature and pressure
range of ethylene epoxidation and we propose it (and possibly other similar
structures) contains the species actuating the catalysis. For higher
temperatures, low coverages of chemisorbed oxygen are most stable, which could
also play a role in oxidation reactions. For temperatures greater than about
775 K there are no stable oxygen species, except for the possibility of O atoms
adsorbed at under-coordinated surface sites Our calculations rule out thicker
oxide-like structures, as well as bulk dissolved oxygen and molecular
ozone-like species, as playing a role in the oxidation reactions.Comment: 15 pages including 9 figures, Related publications can be found at
http://www.fhi-berlin.mpg.de/th/paper.htm
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