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  • 1
    ISSN: 1434-6036
    Keywords: 05.50.+9 ; 02.70.L9
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A qualitative model for solid mixtures of diatomic molecules, where one species (called CO, to be specific) carries both a dipole moment and a quadrupole moment, while the other species (calledN 2) has only a quadrupole moment, is studied by Monte Carlo methods. We use spinsS i =±1 to represent the orientations of the CO electric dipole moment, if the lattice sitei is taken by a CO molecule, whileS i =0 if the site is taken by anN 2 molecule. Assuming nearest-neighbor antiferroelectric interactions between CO molecules, and a bilinear dipole-quadrupole coupling between CO andN 2, the randomly quenchedN 2 molecules act like random fields do in the random field Ising model. In previous work it was already shown that this crude model is in very good agreement with experimental data in two dimensions (adsorbed layers), where the random fields induces a rounding of the transition. Here Monte Carlo simulations of the three-dimensional version of this model are presented and analyzed with finite size scaling concepts. As expected from the theory, a behaviour qualitatively different from the two-dimensional case is detected. The Monte Carlo data provide qualitative evidence that the random field induces crossover to an universality class with critical exponents distinct from the pure Ising model, but it is not feasible to us to study large enough systems that would allow a reliable estimation of these exponents. But the results show that dilution without dipole-quadrupole coupling has much less drastic effects on the critical behavior, and that in the presence of this coupling very small impurity concentrations do indeed change the critical behavior.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 77 (1994), S. 145-172 
    ISSN: 1572-9613
    Keywords: Spinodal decomposition ; surface enrichment ; wetting ; coarsening ; binary mixtures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The phase separation kinetics of a two-dimensional binary mixture at critical composition confined between (one-dimensional) straight walls which preferentially attract one component of the mixture is studied for a wide range of distancesD between the walls. Following earlier related work on semiinfinite systems, two choices of surface forces at the walls are considered, one corresponding to an incompletely wet state of the walls, the other to a completely wet state (forD→∞). The nonlinear Cahn-Hilliard-type equation, supplemented with appropriate boundary conditions which account for the presence of surfaces, is replaced by a discrete equivalent and integrated numerically. Starting from a random initial distribution of the two species (say,A andB), an oscillatory concentration profile rapidly forms across the film. This is characterized by two thin enrichment layers of the preferred component at the walls, followed by adjacent depletion layers. While in these layers phase separation is essentially complete, the further oscillations of the average composition at distanceZ from a wall get rapidly damped asZ increases toward the center of the film. This structure is relatively stable for an intermediate time scale, while the inhomogeneous structure in the center of the film coarsens. The concentration correlation function in directions parallel to the walls (integrated over allZ) and the associated structure factor (describing small-angle scattering from the film) exhibit a scaling behavior, similar to bulk spinodal decomposition, and the characteristic length scale grows with time asl ‖, wherea is close to the Lifshitz-Slyozov value 1/3, and the coefficients α, β depend on film thickness only weakly. Only when one considers the local correlation function at distances close to the walls are deviations from scaling observed due to the competing effects of the grwing surface enrichment layers. However, at very late times [whenl ‖ (t) becomes comparable toD] this bulklike description breaks down, and a concentration distribution is expected to be established which is a superposition of domains separated by interfaces perpendicular to the walls, the one type of domain being rich inA and nearly homogeneous, and the other poor inA except for two thin enrichment layers at the walls.
    Type of Medium: Electronic Resource
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