Surface flows of granular mixtures

We present the generalization of the minimal model for surface flows of granular mixtures, proposed by Boutreux and de Gennes [J. Phys. I France 6, 1295 (1996)]. The minimal model was valid for grains differing only in their surface properties. The present model also takes into account differences in the size of the grains. We apply the model to study segregation in two-dimensional silos of mixtures of grains differing in size and/or surface properties. When the difference in size is small, the model predicts that a continuous segregation appears in the static phase during the filling of a silo. When the difference in size is wide, we take into account the segregation of the grains in the rolling phase, and the model predicts complete segregation and stratification in agreement with experimental observations. Received 9 September 1998 and Received in final form 4 November 1998     

Grain segregation mechanism in aeolian sand ripples

Many sedimentary rocks are formed by migration of sand ripples. Thin layers of coarse and fine sand are present in these rocks, and understanding how layers in sandstone are created has been a longstanding question. Here, we propose a mechanism for the origin of the most common layered sedimentary structures such as inverse graded climbing ripple lamination and cross-stratification patterns. The mechanism involves a competition between three segregation processes: (i) size-segregation and (ii) shape-segregation during transport and rolling, and (iii) size segregation due to different hopping lengths of the small and large grains. We develop a discrete model of grain dynamics which incorporates the coupling between moving grains and the static sand surface, as well as the different properties of grains, such as size and roughness, in order to test the plausibility of this physical mechanism. Received 19 July 1999 and Received in final form 4 August 1999     

Surface flows of granular mixtures: II. Segregation with grains of different size

We present the generalization of a theoretical model for segregation of granular mixtures due to surface flows, published in J. Phys. I France 6, 1295 (1996). Our generalized model is valid for grains differing by their size and/or their surface properties; in the present paper, we describe the case of two species with the same surface properties but two different sizes. The rolling stream is assumed to be homogeneous. Exchanges between the grains at rest and the rolling stream are modelized via binary collisions. The model predicts that during the filling of a two-dimensional silo, continuous segregation appears inside the static phase: small (respectively large) grains tend to stop uphill (respectively downhill), although both species remain present everywhere. This fits the observations when the size difference between the species is small. When the size difference is large, a different regime is observed. We argue that in this case, segregation occurs directly inside the rolling stream. Received: 25 February 1998 / Received in final form and Accepted: 6 July 1998     

A model of binary assemblies of spheres

We propose a theoretical model of random binary assemblies of spheres at any packing fraction. We use the notion of geometrical neighborhood between grains that is defined through two generalizations of the Vorono? tessellation: the radical (or Laguerre) tessellation and the navigation map. The model is tested on different numerical packings. We find a weak local segregation for high packing fraction. We also find that the higher the size ratio of the particles, the more important the segregation. Received 19 February 2001 and Received in final form 27 June 2001     

Kinematic segregation of granular mixtures in sandpiles

We study the segregation of granular mixtures in two-dimensional silos using a recently proposed set of coupled equations for surface flows of grains. We study the thick flow regime, where the grains are segregated in the rolling phase. We incorporate this dynamical segregation process, called kinematic sieving, free-surface segregation or percolation, into the theoretical formalism and calculate the profiles of the rolling species and the concentration of grains in the bulk in the steady state. Our solution shows the segregation of the mixture with the large grains being found at the bottom of the pile in qualitative agreement with experiments. Received: 6 July 1998 / Revised and Accepted: 13 August 1998     

Critical size and surface effect of the hydrogen interaction of palladium clusters

Metal hydrides are used for electrochemical or gaseous storage of hydrogen because considerable amounts of hydrogen are reversibly absorbed and desorbed at interstitial sites. Palladium is often used as a model system. Nanophase material is of interest because properties related to the hydrogen absorption are size dependent. In this study, clusters from the size of 55 to 1415 atoms are investigated and compared with bulk Pd. It turns out that not only the amount of hydrogen per palladium that can be intercalated changes but also kinetics and chemical potentials are dependent on the cluster size. The clusters used for this study were chemically synthesised and stabilised by a ligand shell. Received 9 October 1998 and Received in final form 10 May 1999     

A deterministic sandpile automaton revisited

The Bak-Tang-Wiesenfeld (BTW) sandpile model is a cellular automaton which has been intensively studied during the last years as a paradigm for self-organized criticality. In this paper, we reconsider a deterministic version of the BTW model introduced by Wiesenfeld, Theiler and McNamara, where sand grains are added always to one fixed site on the square lattice. Using the Abelian sandpile formalism we discuss the static properties of the system. We present numerical evidence that the deterministic model is only in the BTW universality class if the initial conditions and the geometric form of the boundaries do not respect the full symmetry of the square lattice. Received 19 August 1999     

A computer simulation study of the ground-state configurations of Fe and Fe-Al clusters

Using the noncentral embedded atom model potential recently proposed by Besson and Morillo for bulk alloys (), we performed computer simulations to predict the ground-state configurations of and clusters (). The computed structures of clusters are in general agreement with such theoretical results as have been obtained by density functional calculations (i.e. for ). The results for Fe-rich clusters show surface segregation of Al, which is in keeping with the findings of a previous study of clusters. Received 29 April 1999     

Discrete particle simulation of radial segregation in horizontally rotating drum: Effects of drum-length and non-rotating end-plates

The radial segregation phenomena of a mixture of two different size grains in a horizontal rotating drum are studied by DEM simulations. The grano-dynamics of radial segregation phenomena is examined as a function of the axial length and the friction between grains and not-rotating end-plates of the drum. The results indicate that, in the longer drums, the radial segregation ratio is higher and the friction on the end-plates shows little effect. Whereas in the shorter drums, the radial segregation is very slow or negligible; however, decreasing the friction on non-rotating end-plates increases the segregation ratio. If we increase the friction further (greater than the frictions between the grain-grain and the grains and the inner wall), the segregation ratio drops in the longer drums while in the shorter drums mixing is seen instead. The cause of these phenomena lies in the mechanism of diffusion in granular flows due to shearing strain by the end-plates. For more roughened end-plates, this shearing activity increases the granular temperature of the system and only the mixing can be observed instead of the segregation.     

Surface effects in nanoparticles: application to maghemite -Fe O

We present a microscopic model for nanoparticles, of the maghemite (-Fe₂O₃) type, and perform classical Monte Carlo simulations of their magnetic properties. On account of M?ssbauer spectroscopy and high-field magnetisation results, we consider a particle as composed of a core and a surface shell of constant thickness. The magnetic state in the particle is described by the anisotropic classical Dirac-Heisenberg model including exchange and dipolar interactions and bulk and surface anisotropy. We consider the case of ellipsoidal (or spherical) particles with free boundaries at the surface. Using a surface shell of constant thickness ( nm) we vary the particle size and study the effect of surface magnetic disorder on the thermal and spatial behaviors of the net magnetisation of the particle. We study the shift in the surface “critical region” for different surface-to-core ratios of the exchange coupling constants. It is also shown that the profile of the local magnetisation exhibits strong temperature dependence, and that surface anisotropy is responsible for the non saturation of the magnetisation at low temperatures. Received 1 September 1999 and Received in final form 3 November 1999     

Oxidation-induced stoichiometric and morphological change of oxide films on stainless-steel surfaces

The oxidation-induced stoichiometric and morphological changes of the oxide film on a stainless-steel surface are observed by X-ray photoelectron spectroscopy and atomic force microscopy for annealing temperatures in the range 400–500 °C in oxygen partial pressures of 10^-9 to 10^-4 Torr With increasing the temperature, a significant shift occurs in the Cr 2p_3/2 binding energy towards higher energies, indicating a change in the oxidation state of chromium. It is found that at 450 °C lower oxygen partial pressures favor the formation of a smooth, pure chromium oxide. At a low oxygen pressure the oxide formed mainly consists of chromium oxide that shows a markedly smooth surface with no distinct grains, whereas at a high pressure the oxide formed mainly consists of iron oxide with distinct grains. Received: 27 January 1999 / Accepted: 18 March 1999 / Published online: 16 September 1999     

The influence of mode coupling on the non-linear evolution of tearing modes

On the basis of tearing mode theory a simple but physically explicit model of the evolution of toroidally coupled rotating magnetic islands has been developed. The basic mechanism identified by the model in the island evolution is the locking in phase of rotating islands that leads to rapid destabilisation of an initially stable mode. Destabilisation of marginally stable (2, 1) and (3, 1) modes is analysed in several scenarios. It is shown that mode coupling is an effective way of destabilising a m=3 island in a low- plasma. The numerical examples presented show the individual roles of coupling, inertia and a resistive wall. The model was applied for the analysis of MHD observations of an ASDEX discharge. Received 4 May 1999 and Received in final form 23 July 1999     

Modeling the thermodynamic properties of bimetallic nanosolids

A model has been developed to account for size, shape, surface segregation, composition and dimension dependent cohesive energy of bimetallic nanosolids, and further been extended to predict the size dependent thermodynamic properties, such as melting temperature, Curie temperatures, ordering temperature and phase diagram. The cohesive energy, melting temperature, Curie temperatures and ordering temperature of bimetallic nanosolids decrease with decreasing the particle size. The depression is dramatic in the lower range of size, while it becomes smoothly in large size. For nano phase diagram, the solidus and liquidus curves drop and the two-phase zones become small, as the size of the nanosolids decreases. The two-phase zones of the nano phase are always lower than the regions indicated in the bulk Ag-Pd alloy phase diagram, and they may deteriorate into a curve at a critical size. It is also found that the thermodynamic properties of nanosolids not only depend on the compositions, the atomic diameter and the cohesive energy of each component, but also depend on the size and the shape. The model predictions are consistent with the corresponding simulation, semi-empirical model and experimental data.     

Structure and properties of some glass-forming liquid alloys

Some physical properties (kinematic viscosity, surface tension and magnetic susceptibility) of some Fe-based metallic melts of easily glass-forming alloys have been measured during heating and subsequent cooling. The results indicate that molten liquid metallic alloys undergo a number of structural transformations ranging from the initial microheterogeneous state formed after melting up to the true solution state. Studies by small angle neutron scattering on a eutectic SnPb melt confirm this conclusion in that two families of different sizes have been seen, one in the range 1 to 2 nm and one of size larger than 100 nm. Both kind of particles have relatively sharp interfaces and the size of the smaller particles is found to depend on temperature. Received 25 February 1999 and Received in final form 28 October 1999     

Noise-induced bifurcations and chaos in the average motion of globally-coupled oscillators

A system of coupled master equations simplified from a model of noise-driven globally coupled bistable oscillators under periodic forcing is investigated. In the thermodynamic limit, the system is reduced to a set of two coupled differential equations. Rich bifurcations to subharmonics and chaotic motions are found. This behavior can be found only for certain intermediate noise intensities. Noise with intensities which are too small or too large will certainly spoil the bifurcations. In a system with large though finite size, the bifurcations to chaos induced by noise can still be detected to a certain degree. Received 6 April 1999 and Received in final form 1 November 1999     

Equilibrium and kinetic surface segregation in binary alloy thin films

A general theoretical analysis of the effect of film thickness on equilibrium and kinetic surface segregation in binary alloy thin films is presented. In this analysis, a constrained condition that represents the finite size of thin film system has been introduced to the modified Darken model, which has been used to describe both equilibrium and kinetic surface segregation in bulk materials. Simulation of surface segregation for alloy thin films can be carried out for all composition ranges and all film thicknesses if only knowing the surface segregation parameters for bulk materials. Simulations of equilibrium and kinetic surface segregation in Cu(1 1 1)Ag binary alloy thin film are presented.     

Humidity effects on the stability of a sandpile

Humidity is well-known to significantly affect the mechanical properties, static as well as dynamic, of granular materials. We present the method of humidification of granular media from an under-saturated vapor that we designed in order to experimentally quantify such moisture-induced effects under accurately-controlled humidity conditions. We report the quantitative measurements of the maximum angle of stability of a pile made of small glass beads, as a function of the relative vapor pressure, up to close to saturation. The results obtained with liquids differing in their wetting properties on glass, namely water and heptane, are presented. It is shown that the wetting properties of the liquid on the grains have a strong influence on the cohesion of the non-saturated granular medium. Received 26 October 1998 and Received in final form 30 March 1999     

Pump and probe nonlinear processes: new modified sum rules from a simple oscillator model

The nonlinear oscillator model is useful to basically understand the most important properties of nonlinear optical processes. It has been shown to give the correct asymptotic behaviour and to provide the general features of harmonic generation to all orders, in particular dispersion relations and sum rules. We investigate the properties of pump and probe processes using this model, and study those cases where general theorems based on the holomorphic character of the Kubo response functions cannot be applied. We show that it is possible to derive new sum rules and new Kramers-Kr?nig relations for the two lowest moments of the real and of the imaginary part of the third order susceptibility and that new specific contributions become relevant as the intensity of the probe increases. Since the analytic properties of the susceptibility functions depend only upon the time causality of the system we are confident that these results are not model dependent and therefore have a general validity, provided one substitutes for the equilibrium values of the potential derivatives the density matrix expectation values of the corresponding operators. Received 25 January 1999 and Received in final form 26 April 1999     

A generalized spin ladder in a magnetic field

We study the phase diagram of coupled spin-1/2 chains with bilinear and (chiral) three-spin exchange interactions in a magnetic field. The model is soluble on a one-parametric line in the space of coupling constants connecting the limiting cases of a single and two decoupled Heisenberg chains with nearest neighbour exchange only. We give a complete classification of the low-energy properties of the integrable system and introduce a numerical method which allows to study the possible phases of spin ladder systems away from the soluble line in a magnetic field. Received 17 November 1998 and Received in final form 22 January 1999     

Hierarchies of stability regions for η-pairing superconducting ground states of generalized Hubbard models

For a class of generalized one dimensional Hubbard models, we study the stability region for the superconducting -pairing ground state. We exploit the Optimum Ground State (OGS) approach and the Lanczos diagonalization procedure to derive a sequence of improved bounds. We show that some pieces of the stability boundary are asymptotic, namely independent on the OGS cluster size. The phenomenon is explained by studying the properties of certain exact eigenstates of the OGS Hamiltonians. Received 27 July 1999 and Received in final form 29 September 1999