Local Charge Excesses in Metallic Alloys: a Local Field Coherent Potential Approximation Theory

Electronic structure calculations performed on very large supercells have shown that the local charge excesses in metallic alloys are related through simple linear relations to the local electrostatic field resulting from distribution of charges in the whole crystal. By including local external fields in the single site Coherent Potential Approximation theory, we develop a novel theoretical scheme in which the local charge excesses for random alloys can be obtained as the responses to local external fields. Our model maintains all the computational advantages of a single site theory but allows for full charge relaxation at the impurity sites. Through applications to CuPd and CuZn alloys, we find that, as a general rule, non linear charge rearrangements occur at the impurity site as a consequence of the complex phenomena related with the electronic screening of the external potential. This nothwithstanding, we observe that linear relations hold between charge excesses and external potentials, in quantitative agreement with the mentioned supercell calculations, and well beyond the limits of linearity for any other site property.Comment: 11 pages, 1 table, 7 figure

Hole spin polarization in GaAlAs:Mn structures

A self-consistent calculation of the electronic properties of GaAlAs:Mn magnetic semiconductor quantum well structures is performed including the Hartree term and the sp-d exchange interaction with the Mn magnetic moments. The spin polarization density is obtained for several structure configurations. Available experimental results are compared with theory.Comment: 4 page

Typicality vs. probability in trajectory-based formulations of quantum mechanics

Bohmian mechanics represents the universe as a set of paths with a probability measure defined on it. The way in which a mathematical model of this kind can explain the observed phenomena of the universe is examined in general. It is shown that the explanation does not make use of the full probability measure, but rather of a suitable set function deriving from it, which defines relative typicality between single-time cylinder sets. Such a set function can also be derived directly from the standard quantum formalism, without the need of an underlying probability measure. The key concept for this derivation is the {\it quantum typicality rule}, which can be considered as a generalization of the Born rule. The result is a new formulation of quantum mechanics, in which particles follow definite trajectories, but which is only based on the standard formalism of quantum mechanics.Comment: 24 pages, no figures. To appear in Foundation of Physic

Ferromagnetism and Canted Spin Phase in AlAs/GaMnAs Single Quantum Wells: Monte Carlo Simulation

The magnetic order resulting from a confinement-adapted Ruderman-Kittel-Kasuya-Yosida indirect exchange between magnetic moments in the metallic phase of a AlAs/Ga(1-x)Mn(x)As quantum well is studied by Monte Carlo simulation. This coupling mechanism involves magnetic moments and carriers (holes), both coming from the same Mn(2+) ions. It leads to a paramagnetic, a ferromagnetic, or a canted spin phase, depending on the carrier concentration, and on the magnetic layer width. It is shown that high transition temperatures may be obtained.Comment: 7 figure

Bridge deck flutter derivatives: efficient numerical evaluation exploiting their interdependence

Increasing the efficiency in the process to numerically compute the flutter derivatives of bridge deck sections is desirable to advance the application of CFD based aerodynamic design in industrial projects. In this article, a 2D unsteady Reynolds-averaged Navier-Stokes (URANS) approach adopting Menter׳s SST k-ω turbulence model is employed for computing the flutter derivatives and the static aerodynamic characteristics of two well known examples: a rectangular cylinder showing a completely reattached flow and the generic G1 section representative of streamlined deck sections. The analytical relationships between flutter derivatives reported in the literature are applied with the purpose of halving the number of required numerical simulations for computing the flutter derivatives. The solver of choice has been the open source code OpenFOAM. It has been found that the proposed methodology offers results which agree well with the experimental data and the accuracy of the estimated flutter derivatives is similar to the results reported in the literature where the complete set of numerical simulations has been performed for both heave and pitch degrees of freedom

HAPEX-Sahel : a large-scale study of land-atmosphere interactions in the semi-arid tropics

The Hydrologic Atmospheric Pilot EXperiment in the Sahel (HAPEX-Sahel) was carried out in Niger, West Africa, during 1991 - 1992, with an intensive observation period (IOP) in August - October 1992. It aims at improving the parameterization of land surface atmosphere interactions at the Global Circulation Model (GCM) gridbox scale. The experiment combines remote sensing and ground based measurements with hydrological and meteorological modelling to develop aggregation techniques for use in large scale estimates of the hydrological and meteorological behaviour of large areas in the Sahel. The experimental strategy consisted of a period of intensive measurements during the transition period of the rainy to the dry season, backed up by a series of long term measurements in a 1° by 1° square in Niger. Three "supersites" were instrumented with a variety of hydrological and (micro) meteorological equipment to provide detailed information on the surface energy exchange at the local scale. Boundary layer measurements and aircraft measurements were used to provide information at scales of 100 - 500 km2. All relevant remote sensing images were obtained for this period. This programme of measurements is now being analyzed and an extensive modelling programme is under way to aggregate the information at all scales up to the GCM grid box scale. The experimental strategy and some preliminary results of the IOP are described

Surface and capillary transitions in an associating binary mixture model

We investigate the phase diagram of a two-component associating fluid mixture in the presence of selectively adsorbing substrates. The mixture is characterized by a bulk phase diagram which displays peculiar features such as closed loops of immiscibility. The presence of the substrates may interfere the physical mechanism involved in the appearance of these phase diagrams, leading to an enhanced tendency to phase separate below the lower critical solution point. Three different cases are considered: a planar solid surface in contact with a bulk fluid, while the other two represent two models of porous systems, namely a slit and an array on infinitely long parallel cylinders. We confirm that surface transitions, as well as capillary transitions for a large area/volume ratio, are stabilized in the one-phase region. Applicability of our results to experiments reported in the literature is discussed.Comment: 12 two-column pages, 12 figures, accepted for publication in Physical Review E; corrected versio

Spin fluctuations in nearly magnetic metals from ab-initio dynamical spin susceptibility calculations:application to Pd and Cr95V5

We describe our theoretical formalism and computational scheme for making ab-initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is Time-Dependent Density Functional Theory within an electronic multiple scattering, imaginary time Green function formalism. Results receive a natural interpretation in terms of overdamped oscillator systems making them suitable for incorporation into spin fluctuation theories. For illustration we apply our method to the nearly ferromagnetic metal Pd and the nearly antiferromagnetic chromium alloy Cr95V5. We compare and contrast the spin dynamics of these two metals and in each case identify those fluctuations with relaxation times much longer than typical electronic `hopping times'Comment: 21 pages, 9 figures. To appear in Physical Review B (July 2000

Coupling of acoustic cavitation with DEM-based particle solvers for modeling de-agglomeration of particle clusters in liquid metals

The aerospace and automotive industries are seeking advanced materials with low weight yet high strength and durability. Aluminum and magnesium-based metal matrix composites with ceramic micro- and nano-reinforcements promise the desirable properties. However, larger surface-area-to-volume ratio in micro- and especially nanoparticles gives rise to van der Waals and adhesion forces that cause the particles to agglomerate in clusters. Such clusters lead to adverse effects on final properties, no longer acting as dislocation anchors but instead becoming defects. Also, agglomeration causes the particle distribution to become uneven, leading to inconsistent properties. To break up clusters, ultrasonic processing may be used via an immersed sonotrode, or alternatively via electromagnetic vibration. This paper combines a fundamental study of acoustic cavitation in liquid aluminum with a study of the interaction forces causing particles to agglomerate, as well as mechanisms of cluster breakup. A non-linear acoustic cavitation model utilizing pressure waves produced by an immersed horn is presented, and then applied to cavitation in liquid aluminum. Physical quantities related to fluid flow and quantities specific to the cavitation solver are passed to a discrete element method particles model. The coupled system is then used for a detailed study of clusters’ breakup by cavitation

Reply to the discussion and comments of Azerêdo et al. (2023) and Schneider et al. (2023) on the paper by Magalhães et al. ‘Middle Jurassic multi-scale transgressive–regressive cycles: An example from the Lusitanian Basin’, The Depositional Record, 9, 174–202

cently published paper. The exchange of ideas, data and interpretation improves our knowledge and is the right way to discuss science\u27s advances. This reply considers the points raised by Azerêdo et al. (2023) and Schneider et al. (2023). In both manuscripts, these authors raised many issues about sedimentological and stratigraphic aspects that can be separated into two groups: (a) those related to the age of the studied succession; and (b) those assigning the studied succession to the Candeeiros Formation