Monte Carlo simulation with fixed steplength for diffusion processes in nonhomogeneous media

Monte Carlo simulation is one of the most important tools in the study of diffusion processes. For constant diffusion coefficients, an appropriate Gaussian distribution of particle's steplengths can generate exact results, when compared with integration of the diffusion equation. It is important to notice that the same method is completely erroneous when applied to non-homogeneous diffusion coefficients. A simple alternative, jumping at fixed steplengths with appropriate transition probabilities, produces correct results. Here, a model for diffusion of calcium ions in the neuromuscular junction of the crayfish is used as a test to compare Monte Carlo simulation with fixed and Gaussian steplength.Fil: Ruiz Barlett, María Virginia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Martin, Hector Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

Mean-field approach to diffusion with interaction: Darken equation and numerical validation

A mean-field theory for diffusion with interaction was introduced in Phys. Rev. E 92, 062118 (2015)PLEEE81539-375510.1103/PhysRevE.92.062118. Interaction effects are represented with a mean-field potential. Here we show that the potential can be directly related to the activity coefficient. In this context, we obtain an alternative derivation of the Darken equation, that relates collective diffusion coefficient and single particle diffusion coefficient (generally different in the presence of interactions). We also carry out a validation test of the model using, as a case study, effective interactions that reproduce Bose-Einstein statistics.Fil: Di Pietro Martínez, Marisel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

Diffusion in binary mixtures: An analysis of the dependence on the thermodynamic factor

We study the diffusion process in binary mixtures using transition probabilities that depend on a mean-field potential. This approach reproduces the Darken equation, a relationship between the intrinsic and the tracer diffusion coefficients, D A and D ∗ A , through the thermodynamic factor Φ (a function of the derivative of the activity coefficient against the molar fraction). The mean-field approach allows us to go beyond the Darken equation and separately specify the dependence of D A and D ∗ A on the thermodynamic factor. We obtain that Φ appears in the expression for D ∗ A , but the intrinsic diffusivity D A turns out to be independent of Φ . Experimental results taken from the literature on diffusion in metal alloys are consistent with this theoretical prediction.Fil: Di Pietro Martínez, Marisel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

Evolution equation for tagged-particle density and correlations in single-file diffusion

We derive and study a theoretical description for single-file diffusion, i.e., diffusion in a one-dimensional lattice of particles with hard core interaction. It is well known that for this system a tagged particle has anomalous diffusion for long times. The novelty of the present approach is that it allows for the derivation of correlations between a tagged particle and other particles of the system at a given distance with empty sites in between. The behavior of the correlation gives deeper insights into the processes involved. The numerical integration of differential equations are in good agreement with Monte Carlo simulations.Fil: Suárez, Gonzalo Pablo. Universidad Nacional de Mar del Plata. Facultad de Cs.exactas y Naturales. Departamento de Fisica; Consejo Nacional de Invest.cientif.y Tecnicas. Centro Cientifico Tecnol.conicet - Mar del Plata. Instituto de Investigaciones Fisicas de Mar del Plata;Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Invest.cientif.y Tecnicas. Centro Cientifico Tecnol.conicet - Mar del Plata. Instituto de Investigaciones Fisicas de Mar del Plata; Universidad Nacional de Mar del Plata. Facultad de Cs.exactas y Naturales. Departamento de Fisica;Fil: Martin, Hector Omar. Universidad Nacional de Mar del Plata. Facultad de Cs.exactas y Naturales. Departamento de Fisica; Consejo Nacional de Invest.cientif.y Tecnicas. Centro Cientifico Tecnol.conicet - Mar del Plata. Instituto de Investigaciones Fisicas de Mar del Plata

Exotic statistics for particles without spin

The possibility of obtaining exotic statistics, different from Bose-Einstein or Fermi-Dirac, is analyzed, in the context of quantum field theory, through the inclusion of a counting operator in the definition of the partition function. This operator represents the statistical weight of the allowed number states. In particular, the statistics of ewkons (introduced in Hoyuelos and Sisterna (2016 Phys. Rev. E 94 062115)) are analyzed. They have a negative relation between pressure and energy density, a feature shared by dark energy. The present approach develops the possibility of describing dark energy with a field of non-interacting particles with ewkons' statistics.Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

From creation and annihilation operators to statistics

A procedure to derive the partition function of non-interacting particles with exotic or intermediate statistics is presented. The partition function is directly related to the associated creation and annihilation operators that obey some specific commutation or anti-commutation relations. The cases of Gentile statistics, quons, Polychronakos statistics, and ewkons are considered. Ewkons statistics was recently derived from the assumption of free diffusion in energy space (Hoyuelos and Sisterna, 2016); an ideal gas of ewkons has negative pressure, a feature that makes them suitable for the description of dark energy.Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

GENERIC framework for the Fokker-Planck equation

The GENERIC theory provides a framework for the description of non-equilibrium phenomena in isolated systems beyond local thermal equilibrium and beyond linear non-equilibrium (i.e., linear relations between thermodynamic forces and currents). The framework is applied to a system described by a Fokker-Planck (FP) equation combined with its reservoir. It is shown that chemical reactions (with stationary solution satisfying detailed balance) can be included in the framework.Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

Quantum statistics of classical particles derived from the condition of a free diffusion coefficient

We derive an equation for the current of particles in energy space; particles are subject to a mean-field effective potential that may represent quantum effects. From the assumption that noninteracting particles imply a free diffusion coefficient in energy space, we derive Maxwell-Boltzmann, Fermi-Dirac, and Bose-Einstein statistics. Other new statistics are associated to a free diffusion coefficient; their thermodynamic properties are analyzed using the grand partition function. A negative relation between pressure and energy density for low temperatures can be derived, suggesting a possible connection with cosmological dark energy models.Fil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Sisterna, P.. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentin

Codimension 2 and 3 in a ring cavity with eliptically polarized electromagnetic waves

We study pattern formation on the plane transverse to propagation direction, in a ring cavity filled with a Kerr-like medium, subject to an elliptically polarized incoming field, by means of two coupled Lugiato–Lefever equations. We consider a wide range of possible values for the coupling parameter between different polarizations, View the MathML source, as may happen in composite materials. Positive and also negative refraction index materials are considered. Examples of marginal instability diagrams are shown. It is shown that, within the model, instabilities cannot be of codimension higher than 3. A method for finding parameters for which codimension 2 or 3 takes place is given. The method allows us to choose parameters for which unstable wavenumbers fulfill different relations. Numerical integration results where different instabilities coexist and compete are shown.Fil: Mártin, Daniel Alejandro. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata; Argentin

Application of the Widom insertion formula to transition rates in a lattice

We consider diffusion of particles on a lattice in the so-called dynamical mean-field regime (memory effects are neglected). Interactions are local, that is, only among particles at the same lattice site. It is shown that a statistical mechanics analysis that combines detailed balance and Widom's insertion formula allows for the derivation of an expression for transition rates in terms of the excess chemical potential. The rates reproduce the known dependence of self-diffusivity as the inverse of the thermodynamic factor. Soft-core interactions and general forms of the excess chemical potential (linear, quadratic, and cubic with the density) are considered.Fil: Di Muro, Matias Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; ArgentinaFil: Hoyuelos, Miguel Luis. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones Físicas de Mar del Plata. Universidad Nacional de Mar del Plata. Facultad de Ciencias Exactas y Naturales. Instituto de Investigaciones Físicas de Mar del Plata; Argentin