Lattice model for translational and rotational motions based on generalised diffusion equations: I. General formalism

A simple lattice model based on generalised diffusion equations and Gaussian statistics, aimed at describing diffusive translational and rotational motions, is presented. It is shown that it allows the generation of correlation functions relevant to spectroscopic techniques that are very similar to those experimentally observed in a large variety of complex systems. For some ranges of values of the model parameters, these functions, which can be expressed in closed mathematical forms, can be approximately represented by the sum of two exponentials or by “stretched" exponentials. Received 17 September 1999 and Received in final form 10 February 2000     

Super lattice formation of an array of volatile wetting droplets

For an ordered array of critical volatile wetting droplets the formation of a super lattice by an Ostwald-ripening-like competition process is considered. The underlying diffusion problem is treated within a quasistatic approximation and to first order in the inverse droplets distance. The approach is rather general but a square lattice and a triangular lattice are studied explicitly. Dispersion relations for the super lattice growth of these arrays are calculated. Received 29 November 1999 and Received in final form 15 February 2000     

On the competition between magnetic order and local Kondo effect in Kondo lattice

We investigate the competition between magnetic order and local Kondo effect in a Kondo lattice model (i.e. the Coqblin-Schrieffer Hamiltonian extended to a lattice) in a mean-field approximation, taking account of the spin-orbit degeneracy of each localized f level. This leads to the definition of a dependent Kondo temperature. We study the Kondo phase and compare its energy with the energies of magnetic phases, when the number of the conduction band electron per site is near one. We present a phase diagram which shows the occurrence of three phases: Kondo, antiferromagnetic and paramagnetic phases. Our model in the mean-field approximation also shows a somewhat flat Kondo temperature, for large values of , as a function of the exchange coupling J between conduction and localized f electrons. Finally we show some scaling effects between and J and we define a corresponding Kondo temperature. Received 21 September 1998 and Received in final form 8 February 1999     

SCDA for 3D lattice gases with repulsive interaction

The selfconsistent diagram approximation (SCDA) is generalized for three-dimensional lattice gases with nearest neighbor repulsive interactions. The free energy is represented in a closed form through elementary functions. Thermodynamical (phase diagrams, chemical potential and mean square fluctuations), structural (order parameter, distribution functions) as well as diffusional characteristics are investigated. The calculation results are compared with the Monte Carlo simulation data to demonstrate high precision of the SCDA in reproducing the equilibrium lattice gas characteristics. It is shown that similarly to two-dimensional systems the specific statistical memory effects strongly influence the lattice gas diffusion in the ordered states. Received 7 August 2002 / Received in final form 22 January 2003 Published online 24 April 2003     

Spontaneous alloying of tin atoms into nanometer-sized gold clusters and phase stability in the resultant alloy clusters

Alloying behavior and phase stability has been studied in situ by transmission electron microscopy using clusters in the Au-Sn system. When tin atoms are vapor-deposited onto nm-sized gold clusters, rapid dissolution of tin atoms into gold clusters takes place and as a result Au-rich solid solution, amorphous-like Au-Sn alloy and AuSn compound clusters are formed depending upon the concentration of tin. The remarkable enhancement of solubility has been observed in Au-rich solid solution and AuSn compound. It becomes more difficult to form two phases in the interior of individual clusters even if the composition of alloy clusters falls in the two-phase region in the phase diagram for the bulk alloy and as a result amorphous-like phase is stabilized in nm-sized Au-Sn alloy clusters. Received 2 August 1999 and Received in final form 8 November 1999     

Tracer diffusion and correlations in ordered adsorption systems with defect-controlled transport mechanisms

In this study we develop a theory of tracer diffusion in 2D lattice-gas systems with strongly repulsive nearest neighbor interactions. The study is performed for a square lattice in the vicinity of half monolayer coverage. In this case the lattice gas forms a highly-ordered c phase. The adatom kinetics is reduced to the problem of random walks of long-living structural defects. The correlated motion of tracer-defect pairs is considered. Equations for correlation functions of tracer-vacancy, tracer-excessive adatoms and tracer-dimer pairs are derived and solved in terms of microscopic jump probabilities of defects. The solutions are exact in the case of dominant single defect transport mechanisms. In the case of dimer transport we applied the approximation of short-range correlation length. The values obtained for the correlation factor are in good agreement with the results of computer simulations in the over-stoichiometric range, while for sub-stoichiometric coverages the agreement is not very good. Received 20 September 1999 and Received in final form 14 April 2000     

Entropy and multi-particle correlations in two-dimensional lattice gases

We analyse the statistical entropy of two-dimensional lattice-gas models in terms of the contributions which arise from space correlations of increasing order. The “residual multiparticle entropy”, defined as the contribution to the excess entropy that is associated with correlations involving more than two particles, is calculated for the Ising and Coulomb lattice gases. The thermodynamic behaviour of the residual multiparticle entropy is then discussed in relation to the phase diagram of the model and the existence of underlying signatures of order-disorder phase transitions is also investigated. Received 31 December 1998 and Received in final form 8 March 1999     

Van der Waals interaction between flux lines in high- superconductors: A variational approach

In pure anisotropic or layered superconductors thermal fluctuations induce a van der Waals attraction between flux lines. This attraction together with the entropic repulsion has interesting consequences for the low field phase diagram; in particular, a first order transition from the Meissner phase to the mixed state is induced. We introduce a new variational approach that allows for the calculation of the effective free energy of the flux line lattice on the scale of the mean flux line distance a, which is based on an expansion of the free energy around the regular triangular Abrikosov lattice. Using this technique, the low field phase diagram of these materials may be explored. The results of this technique are compared with a recent functional RG treatment of the same system. Received: 25 June 1996 / Revised: 18 August 1998 / Accepted: 21 August 1998     

Growth of entropy stabilized quasicrystals

A simplified version of the model by Elser and Joseph for the process of growth of an entropically stabilized, two-dimensional quasicrystal with no dynamics in the bulk, is proposed. The phason fluctuations are modeled by a scalar field on a periodic lattice. The choice of the master equation for the growth is restricted by the requirement that its detailed balance solution describes the equilibrium fluctuations of the field with a quadratic Hamiltonian. The model is parametrized by the chemical potential bias and the microscopic surface tension coefficient . The phase diagram of the system on the plane (, ) shows several distinct regimes of growth, separated by relatively narrow transition zones. Within the regions corresponding to these regimes, the phason fluctuations do not depend on and . Analytic expressions for the spectra of phason fluctuations are obtained and confirmed by numerical simulation. Received 30 June 2000     

Lattice-Boltzmann study of spontaneous emulsification

We study the dynamics of spontaneous emulsification of an initially planar oil-water interface when surfactants are added. The thermodynamic properties of the ternary oil-water-surfactant system are modeled by a Ginzburg-Landau-type free energy. The lattice Boltzmann method is used to solve the dynamic equations. The dynamics is found to be governed by a complicated interplay of convection and diffusion as the two relevant transport mechanisms. As long as the interface is almost flat, we find the interfacial area to grow first exponentially and then linearly in time. Later finger-like structures form which grow with a constant velocity. The tip velocity is found to increase roughly linearly with the mobility of the amphiphile, and to decrease as with the solvent viscosity . Received 5 January 1999     

Attractive forces between anisotropic inclusions in the membrane of a vesicle

The fluctuation-induced interaction between two rod-like, rigid inclusions in a fluid vesicle is studied by means of canonical ensemble Monte-Carlo simulations. The vesicle membrane is represented by a triangulated network of hard spheres. Five rigidly connected hard spheres form rod-like inclusions that can leap between sites of the triangular network. Their effective interaction potential is computed as a function of mutual distance and angle of the inclusions. On account of the hard-core potential among these, the nature of the potential is purely entropic. Special precaution is taken to reduce lattice artifacts and the influence of finite-size effects due to the spherical geometry. Our results show that the effective potential is attractive and short-range compared with the rod length L. Its well depth is of the order of , where is the bending modulus. Received 5 February 1999 and Received in final form 14 May 1999     

Ground state phase diagram of a spin-2 antiferromagnet on the square lattice

We use the vertex state model approach to construct optimum ground states for a large class of quantum spin-2 antiferromagnets on the square lattice. Optimum ground states are exact ground states of the model which minimize all local interaction operators. The ground state contains two continuous parameters and exhibits a second order phase transition from a disordered phase with exponentially decaying correlation functions to a Néel ordered phase. The behaviour is very similar to that of the corresponding ground state of a quantum spin-3/2 model on the hexagonal lattice, which has been investigated in an earlier paper. Received 8 April 1999     

In situ X-ray diffraction investigation of porous silicon strains induced by the freezing of a confined organic fluid

High resolution X-ray diffraction is used to perform an in situ measurement of the variations of the lattice parameter of the nanometer size crystallites of porous silicon, induced by the freezing of a confined organic fluid, dodecane. Two p⁺ type PS layers of 60 and 70% porosity are investigated, and the variations of their lattice parameter with the temperature (in the range 150–300 K) are measured. The experimental curves are discussed in relation with the results of a previous calorimetric study of the freezing of confined dodecane. We explain the observed strains by the presence of capillary stresses, that appear in the layer due to the formation of internal liquid-vapour meniscus during the freezing process of the confined fluid. Received 22 October 1999 and Received in final form 25 March 2000     

Phases of wave functions and level repulsion

Avoided level crossings are associated with exceptional points which are the singularities of the spectrum and eigenfunctions, when considered as functions of a complex coupling parameter. It is shown that the wave function of one state changes sign but not the other, if the exceptional point is encircled in the complex plane. An experimental setup is suggested where this peculiar phase change could be observed. Received: 7 January 1999 / Received in final form: 15 March 1999     

Affine turbulence

We present a generalization of the multiplicative model for velocity increments involving an affine process. The consequences on the shape of the probability distribution functions for the velocity increments are explored, and shown to be better compatible with the existence of a scale variation of the skewness. Received 29 March 1999 and Received in final form 14 September 1999     

Discrete nonlinear Schrödinger breathers in a phonon bath

We study the dynamics of the discrete nonlinear Schr?dinger lattice initialized such that a very long transitory period of time in which standard Boltzmann statistics is insufficient is reached. Our study of the nonlinear system locked in this non-Gibbsian state focuses on the dynamics of discrete breathers (also called intrinsic localized modes). It is found that part of the energy spontaneously condenses into several discrete breathers. Although these discrete breathers are extremely long lived, their total number is found to decrease as the evolution progresses. Even though the total number of discrete breathers decreases we report the surprising observation that the energy content in the discrete breather population increases. We interpret these observations in the perspective of discrete breather creation and annihilation and find that the death of a discrete breather cause effective energy transfer to a spatially nearby discrete breather. It is found that the concepts of a multi-frequency discrete breather and of internal modes is crucial for this process. Finally, we find that the existence of a discrete breather tends to soften the lattice in its immediate neighborhood, resulting in high amplitude thermal fluctuation close to an existing discrete breather. This in turn nucleates discrete breather creation close to a already existing discrete breather. Received 21 January 1999 and Received in final form 20 September 1999     

Influence of high-energy electron irradiation on the transport properties of La1-xCaxMnO3 films ($$(x \approx 1/3)$$ )

The effect of crystal lattice disorder on the conductivity and colossal magnetoresistance in La_1-xCa_xMnO₃ ( ) films has been examined. The lattice defects are introduced by irradiating the film with high-energy ( MeV) electrons with a maximal fluence of about cm^-2. This comparatively low dose of irradiation produces rather small radiation damage in the films. The number of displacements per atom (dpa) in the irradiated sample is about 10^-5. Nevertheless, this results in an appreciable increase in the film resistivity. The percentage of the resistivity increase in the ferromagnetic metallic state (below the Curie temperature ) was much greater than that observed in the insulating state (above ). At the same time irradiation has much less effect on or on the magnitude of the colossal magnetoresistance. A possible explanation of such behavior is proposed. Received 21 July 1999 and Received in final form 27 December 1999