Search results for "density [muon]"
showing 10 items of 313 documents
Gravity modelling of the lower crust in Sardinia (Italy)
1997
In this paper an example is given of an application of statistical techniques to the Bouguer anomalies analysis in order to design a simple crustal model using few a priori assumptions. All gravity measurements carried out in Sardinia have been collected and processed. The Bouguer anomalies have been calculated according to local density estimates. Spectral analysis of the Bouguer anomalies has been carried out along selected profiles in order to estimate the mean depth of the Moho discontinuity and that of an infracrustal discontinuity. The use of this technique inferred the presence of a discontinuity at a mean depth of ~ 28 km, interpreted as Moho and the likely presence of an infracrust…
Maximum entropy method : an unconventional approach to explore observables related to the electron density in phengites
2009
The maximum entropy method (MEM) is used here to get an insight into the electron density [rho(r)] of phengites 2M (1) and 3T, paying special attention to the M1-formally empty site and charge distribution. Room temperature single crystal X-ray diffraction data have been used as experimental input for MEM. The results obtained by MEM have been compared with those from conventional structure refinement which, in turn, has provided the prior-electron density to start the entropy maximization process. MEM reveals a comparatively non-committal approach, able to produce information related to the M1-site fractional occupancy, and yields results consistent with those from the difference Fourier s…
Gilbert damping of CoFe-alloys
2019
We report structural, magnetic and dynamic properties of polycrystalline Coalt;subagt;xalt;/subagt;Fealt;subagt;1-xalt;/subagt;-alloy films on Sapphire, Silicon and MgO substrates across the full composition range, by using a Vector Network Analyser ferromagnetic resonance measurement technique (VNA-FMR), Superconducting Quantum Interference Device magnetometry (SQUID) and X-Ray Diffraction (XRD). In the approximate vicinity of 28% Co, we observe a minimum of the damping parameter, associated with a reduction in the density of states to a minimum value at the Fermi energy level. For films on all substrates, we find magnetic damping of the order of 4-5⋅10alt;supagt;-3alt;/supagt;, showing th…
(Invited) The Effect of (La,Sr)MnO 3 Cathode Surface Termination on Its Electronic Structure
2017
La1-xSrxMnO3 (LSM) was one of the first perovskites used as SOFC cathode material. Its (001) surface has two possible terminations, LaSrO and MnO2, with quite different properties and oxygen reduction efficiencies. To avoid effects of surface polarity and the dipole moment across the material, symmetric non-stoichiometric slabs are commonly used in theoretical calculations with identical terminating planes on its both sides. We analyzed the dependence of the electronic structure (density of states) and charge distribution (effective atomic charges and chemical bond covalency) on the slab termination and Mn ion oxidation state (controlled by the Sr content and slab nonstoichiometry).
Grover’s Algorithm with Errors
2013
Grover’s algorithm is a quantum search algorithm solving the unstructured search problem of size n in \(O(\sqrt{n})\) queries, while any classical algorithm needs O(n) queries [3].
Dopant Clusterization and Oxygen Coordination in Ta-Doped Bismuth Oxide: A Structural and Computational Insight into the Mechanism of Anion Conduction
2015
Bi2O3 in its fluorite-like form can be obtained either at 730-824 °C, showing the highest oxide-ion conduction known so far, or by doping. We present a comprehensive appraisal of the local atomic structure of Ta-doped Bi2O3 investigating by X-ray absorption spectroscopy the aggregation motifs of Ta5+ and the interaction between dopants and oxygen vacancies. Using periodic density functional theory simulations, we show that the connection of Ta4O18 aggregates is energetically favorable. We find that the local coordination of Bi3+ and its electronic structure, as seen from the calculated density of states (DOS), are invariably determined by the Bi 6s2 lone pair in both doped and undoped Bi2O3…
Evidence of superatom electronic shells in ligand-stabilized aluminum clusters
2011
Ligand-stabilized aluminum clusters are investigated by density functional theory calculations. Analysis of Kohn-Sham molecular orbitals and projected density of states uncovers an electronic shell structure that adheres to the superatom complex model for ligand-stabilized aluminum clusters. In this current study, we explain how the superatom complex electron-counting rule is influenced by the electron-withdrawing ligand and a dopant atom in the metallic core. The results may guide the prediction of new stable ligand-stabilized (superatom) complexes, regardless of core and electron-withdrawing ligand composition.
Harmonic behavior of trehalose-coated carbon-monoxy-myoglobin at high temperature.
1999
Abstract Embedding biostructures in saccharide glasses protects them against extreme dehydration and/or exposure to very high temperature. Among the saccharides, trehalose appears to be the most effective bioprotectant. In this paper we report on the low-frequency dynamics of carbon monoxy myoglobin in an extremely dry trehalose glass measured by neutron spectroscopy. Under these conditions, the mean square displacements and the density of state function are those of a harmonic solid, up to room temperature, in contrast to D 2 O-hydrated myoglobin, in which a dynamical transition to a nonharmonic regime has been observed at ∼180K (Doster et al., 1989. Nature. 337:754–756). The protective ef…
Stochastic response determination of structural systems modeled via dependent coordinates: a frequency domain treatment based on generalized modal an…
2019
Generalized independent coordinates are typically utilized within an analytical dynamics framework to model the motion of structural and mechanical engineering systems. Nevertheless, for complex systems, such as multi-body structures, an explicit formulation of the equations of motion by utilizing generalized, independent, coordinates can be a daunting task. In this regard, employing a set of redundant coordinates can facilitate the formulation of the governing dynamics equations. In this setting, however, standard response analysis techniques cannot be applied in a straightforward manner. For instance, defining and determining a transfer function within a frequency domain response analysis…
Temperature and doping dependence of normal state spectral properties in a two-orbital model for ferropnictides
2016
Using a second-order perturbative Green's functions approach we determined the normal state single-particle spectral function $A(\vec{k},\omega)$ employing a minimal effective model for iron-based superconductors. The microscopic model, used before to study magnetic fluctuations and superconducting properties, includes the two effective tight-binding bands proposed by S.Raghu et al. [Phys. Rev. B 77, 220503 (R) (2008)], and intra- and inter-orbital local electronic correlations, related to the Fe-3d orbitals. Here, we focus on the study of normal state electronic properties, in particular the temperature and doping dependence of the total density of states, $A(\omega)$, and of $A(\vec{k},\o…