3,359 research outputs found
Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation
Self-consistent correlation potentials for H and LiH for various
inter-atomic separations are obtained within the random phase approximation
(RPA) of density functional theory. The RPA correlation potential shows a peak
at the bond midpoint, which is an exact feature of the true correlation
potential, but lacks another exact feature: the step important to preserve
integer charge on the atomic fragments in the dissociation limit. An analysis
of the RPA energy functional in terms of fractional charge is given which
confirms these observations. We find that the RPA misses the derivative
discontinuity at odd integer particle numbers but explicitly eliminates the
fractional spin error in the exact-exchange functional. The latter finding
explains the accurate total energy in the dissociation limit.Comment: 9 pages, 10 figure
Focused Fluid Flow along the Nootka Fault Zone and Continental slope, ExplorerâJuan de Fuca Plate Boundary
Key Points:
- Fluid flow is focused along Nootka Fault traces resulting in shallow bright spots
- Two seafloor mounds are the result of basaltic intrusions in the Nootka Fault zone
- Gas hydrates occur at the Nootka Slope and are imaged seismically as bottom-
simulating reflectors suggesting a regional heat-flow of ~80 mW/m2 along the slope
Abstract
Geophysical and geochemical data indicate there is abundant fluid expulsion in the Nootka fault zone (NFZ) between the Juan de Fuca and Explorer plates and the Nootka continental slope. Here we combine observations from > 20 years of investigations to demonstrate the nature of fluidâflow along the NFZ, which is the seismically most active region off Vancouver Island. Seismicity reaching down to the upper mantle is linked to nearâseafloor manifestation of fluid flow through a network of faults. Along the two main fault traces, seismic reflection data imaged bright spots 100 â 300 m below seafloor that lie above changes in basement topography. The bright spots are conformable to sediment layering, show oppositeâtoâseafloor reflection polarity, and are associated with frequencyâreduction and velocity pushâdown indicating the presence of gas in the sediments. Two seafloor mounds ~15 km seaward of the Nootka slope are underlain by deep, nonâconformable high amplitude reflective zones. Measurements in the water column above one mound revealed a plume of warm water, and bottomâvideo observations imaged hydrothermal vent system biota. Pore fluids from a core at this mound contain predominately microbial methane (C1) with a high proportion of ethane (C2) yielding C1/C2 ratios < 500 indicating a possible slight contribution from a deep source. We infer the reflective zones beneath the two mounds are basaltic intrusions that create hydrothermal circulation within the overlying sediments. Across the Nootka continental slope, gas hydrate related bottomâsimulating reflectors are widespread and occur at depths indicating heatâflow values of 80 â 90 mW/m2
Practical Implementations of Twirl Operations
Twirl operations, which convert impure singlet states into Werner states,
play an important role in many schemes for entanglement purification. In this
paper we describe strategies for implementing twirl operations, with an
emphasis on methods suitable for ensemble quantum information processors such
as nuclear magnetic resonance (NMR) quantum computers. We implement our twirl
operation on a general two-spin mixed state using liquid state NMR techniques,
demonstrating that we can obtain the singlet Werner state with high fidelity.Comment: 6 pages RevTex4 including 2 figures (fig 1 low quality to save space
Caracterização Espectroscópica da Matéria Orgùnica do Solo.
bitstream/CNPDIA/10450/1/CiT24_2004.pd
Nonlinear response of dense colloidal suspensions under oscillatory shear: Mode-coupling theory and FT-rheology experiments
Using a combination of theory, experiment and simulation we investigate the
nonlinear response of dense colloidal suspensions to large amplitude
oscillatory shear flow. The time-dependent stress response is calculated using
a recently developed schematic mode-coupling-type theory describing colloidal
suspensions under externally applied flow. For finite strain amplitudes the
theory generates a nonlinear response, characterized by significant higher
harmonic contributions. An important feature of the theory is the prediction of
an ideal glass transition at sufficiently strong coupling, which is accompanied
by the discontinuous appearance of a dynamic yield stress. For the oscillatory
shear flow under consideration we find that the yield stress plays an important
role in determining the non linearity of the time-dependent stress response.
Our theoretical findings are strongly supported by both large amplitude
oscillatory (LAOS) experiments (with FT-rheology analysis) on suspensions of
thermosensitive core-shell particles dispersed in water and Brownian dynamics
simulations performed on a two-dimensional binary hard-disc mixture. In
particular, theory predicts nontrivial values of the exponents governing the
final decay of the storage and loss moduli as a function of strain amplitude
which are in excellent agreement with both simulation and experiment. A
consistent set of parameters in the presented schematic model achieves to
jointly describe linear moduli, nonlinear flow curves and large amplitude
oscillatory spectroscopy
The European Network for Translational Research in Atrial Fibrillation (EUTRAF): objectives and initial results.
Atrial fibrillation (AF) is the most common sustained arrhythmia in the general population. As an age-related arrhythmia AF is becoming a huge socio-economic burden for European healthcare systems. Despite significant progress in our understanding of the pathophysiology of AF, therapeutic strategies for AF have not changed substantially and the major challenges in the management of AF are still unmet. This lack of progress may be related to the multifactorial pathogenesis of atrial remodelling and AF that hampers the identification of causative pathophysiological alterations in individual patients. Also, again new mechanisms have been identified and the relative contribution of these mechanisms still has to be established. In November 2010, the European Union launched the large collaborative project EUTRAF (European Network of Translational Research in Atrial Fibrillation) to address these challenges. The main aims of EUTRAF are to study the main mechanisms of initiation and perpetuation of AF, to identify the molecular alterations underlying atrial remodelling, to develop markers allowing to monitor this processes, and suggest strategies to treat AF based on insights in newly defined disease mechanisms. This article reports on the objectives, the structure, and initial results of this network
Examining the surface phase diagram of IrTe with photoemission
In the transition metal dichalcogenide IrTe, low-temperature
charge-ordered phase transitions involving Ir dimers lead to the occurrence of
stripe phases of different periodicities, and nearly degenerate energies.
Bulk-sensitive measurements have shown that, upon cooling, IrTe undergoes
two such first-order transitions to and
reconstructed phases at ~K and ~K,
respectively. Here, using surface sensitive probes of the electronic structure
of IrTe, we reveal the first-order phase transition at ~K to
the stripes phase, previously proposed to be the surface ground
state. This is achieved by combining x-ray photoemission spectroscopy and
angle-resolved photoemission spectroscopy, which give access to the evolution
of stripe domains and a particular surface state, the energy of which is
dependent on the Ir dimer length. By performing measurements over a full
thermal cycle, we also report the complete hysteresis of all these phases
Elastic electron scattering from 3-hydroxytetrahydrofuran: experimental and theoretical studies
We report the results of measurements and calculations for elastic electron scattering from 3-hydroxytetrahydrofuran (C4H8O2). The measurements are performed with a crossed electron-target beam apparatus and the absolute cross-sections are determined using the relative flow technique. The calculations are carried out using the Schwinger multichannel method in the static-exchange plus polarization (SEP) approximation. A set of angular differential cross-sections (DCS) is provided at five incident energies (6.5, 8, 10, 15 and 20 eV) over an angular range of 20â130°, and the energy dependence of the elastic DCS at a scattering angle of 120° is also presented. Integral elastic and elastic momentum transfer cross-sections have also been derived and calculated. The results are compared with those of recent measurements and calculations for the structurally similar molecule tetrahydrofuran (C4H8O)
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