Diffusion in zeolites as flow of lattice gas

The diffusivityD of pure substances in idealized zeolite crystals is analyzed on the basis of the hopping model and its various extensions. Forces between neigboring molecules are taken into account as well as multiple adsorption in cages and the possibility of extended jumps. Finally, the case of correlated jumps is considered. For each model,D is approximated for small concentrations and in the saturation limit. Only the model with cages permitting at least three molecules is capable of reproducing the prevalent observed behavior.     

Diffusion in Lorentz lattice gas automata with backscattering

The probability of first return to the initial intervalx and the diffusion tensorD _x are calculated exactly for a ballistic Lorentz gas on a Bethe lattice or Cayley tree. It consists of a moving particle and a fixed array of scatterers, located at the nodes, and the lengths of the intervals between scatterers are determined by a geometric distribution. The same values forx andD _x apply also to a regular space lattice with a fraction of sites occupied by a scatterer in the limit of a small concentration of scatterers. If backscattering occurs, the results are very different from the Boltzmann approximation. The theory is applied to different types of lattices and different types of scatterers having rotational or mirror symmetries.     

Existence of enantiomeric phase separation in a three-dimensional lattice gas model

A three-dimensional lattice gas model for enantiomeric phase separation is introduced. The enantiomeric molecules (d andl) are the two nonsuperimposable mirror images having the molecular structure C(AB)₂, where C is a tetrahedrally bonded carbon atom with one bond to each end of two AB groups. The lattice gas model consists of a body-centered cubic lattice, each site of which can be either vacant or occupied by a molecule oriented so that the A and B groups point toward neighboring lattice sites. Pairs of molecules interact with short-range, orientationally-dependent interactions. For a domain of interaction parameters, the Pirogov-Sinai extension of the Peierls argument is used to prove thatd-rich andl-rich phases exist in the model at sufficiently low temperature. For another domain of interaction parameters, at sufficiently high chemical potential there is an infinite number of ground states, each containing a racemic mixture ofd andl molecules.     

Phase separation in a three-dimensional,two-phase,hydrodynamic lattice gas

The dynamics of phase separation is explored using an immiscible 3D lattice-gas model. Scaling laws for the growth rate and power spectraS(k) of the growth patterns are computed. For small wavenumbersS(k) shows a crossover fromk ² tok ⁴ behavior. The theoretical prediction for the asymptotic domain growthRt ^2/3 is supported by our results. We discuss the possibility to observe an intermediatet scaling. We show the influence of hydrodynamic forces in symmetric and asymmetric mixtures by comparing simulations with and without momentum conservation. The structure functionS(k) is not significantly modified by hydrodynamics, but the growth rate changes clearly. As a general result, it is shown that, in spite of the unusual thermodynamics of this model, many characteristics of the growth dynamics are surprisingly in agreement with the classical theoretical and experimental results.     

Diffusion and propagation in triangular Lorentz lattice gas cellular automata

The diffusion process of point particles moving on regular triangular and random lattices, randomly occupied with stationary scatterers (a Lorentz lattice gas cellular automaton), is studied, for strictly deterministic scattering rules, as a function of the concentration of the scatterers. In addition to the normal and various kinds of retarded diffusion found before on the regular square lattice, straight-line propagation through the scatterers is observed.     

Diffusion of lattice gases without double occupancy on three-dimensional percolation lattices

We examined the diffusion of lattice gases, where double occupancy of sites is excluded, on three-dimensional percolation lattices at the percolation thresholdp _c . The critical exponent for the root-mean-square displacement was determined to bek=0.183±0.010, which is similiar to the result of Roman for the problem of the ant in the labyrinth. Furthermore, we found a plateau value fork at intermediate times for systems with higher concentrations of lattice gas particles.     

Bose-fermi mixtures in a three-dimensional optical lattice

We have studied mixtures of fermionic (40)K and bosonic (87)Rb quantum gases in a three-dimensional optical lattice. We observe that an increasing admixture of the fermionic species diminishes the phase coherence of the bosonic atoms as measured by studying both the visibility of the matter wave interference pattern and the coherence length of the bosons. Moreover, we find that the attractive interactions between bosons and fermions lead to an increase of the boson density in the lattice which we measure by studying three-body recombination in the lattice. In our data, we do not observe three-body loss of the fermionic atoms. An analysis of the thermodynamics of a noninteracting Bose-Fermi mixture in the lattice suggests a mechanism for sympathetic cooling of the fermions in the lattice.     

Self-diffusion in a tagged-particle lattice gas

Collisions in lattice gas models do not conserve particle identity. Whenever one needs to follow individual particles, several choices are often consistent with a given model; these choices result in large variations of the diffusion coefficient. We illustrate this numerically and analytically.     

Reynolds stresses in a lattice gas

I use a previously proposed algorithm, based on Lévy walks, to calculate and discuss longitudinal and transverse velocity correlations in turbulent channel flow. The general approach is that of lattice gas hydrodynamics.     

Excitations of a superfluid in a three-dimensional optical lattice

We prepare a Bose-Einstein condensed gas in a three-dimensional optical lattice and study the excitation spectrum of the superfluid phase for different interaction strengths. We probe the response of the system by modulating the depth of the optical lattice along one axis. The interactions can be controlled independently by varying the tunnel coupling along the other two lattice axes. In the weakly interacting regime we observe a small susceptibility of the superfluid to excitations, while for stronger interactions an unexpected resonance appears in the excitation spectrum. In addition we measure the coherent fraction of the atomic gas, which determines the depletion of the condensate.     

Diffusion in concentrated lattice gases

Journal of Statistical Physics - The diffusion of many particles on a lattice is an example of a correlated random-walk process. Recently the waiting-time distributions for two consecutive jumps of...     

Heat conduction in a three-dimensional momentum-conserving anharmonic lattice

Heat conduction in three-dimensional anharmonic lattices was numerically studied by the Green-Kubo theory. For a given lattice width W, a dimensional crossover is generally observed to occur at a W-dependent threshold of the lattice length. Lattices shorter than W will display a 3D behavior while lattices longer than W will display a 1D behavior. In the 3D regime, the heat current autocorrelation function was found to show a power-law decay as a function of the time lag τ as τ^{β} with β=-1.2. This indicates normal heat conduction. However, the decay exponent deviates significantly from the conventional theoretical value of β=-1.5. A flat power spectrum S(ω) of the global heat current in the low-frequency limit was also observed in the 3D regime. This provides not only an alternative verification of normal heat conduction but also a clear physical insight into its origin.     

Long-lived Feshbach molecules in a three-dimensional optical lattice

We have created and trapped a pure sample of Feshbach molecules in a three-dimensional optical lattice. Compared to previous experiments without a lattice, we find dramatic improvements such as long lifetimes of up to 700 ms and a near unit efficiency for converting tightly confined atom pairs into molecules. The lattice shields the trapped molecules from collisions and, thus, overcomes the problem of inelastic decay by vibrational quenching. Furthermore, we have developed an advanced purification scheme that removes residual atoms, resulting in a lattice in which individual sites are either empty or filled with a single molecule in the vibrational ground state of the lattice.     

Dynamics of a lattice gas

A stochastic model whose ergodic variant coincides with the Ising model has been considered. Constraints following from a microscopic conservation law are imposed on dynamics (lattice gas model). The master equation for the dynamic correlation function has been derived. It has been shown that the separation curve on the density-temperature diagram for the initial microdispersed state lies below that predicted by the Gibbs statistics. Furthermore, not only the position but also the shape of the entire curve can change: it becomes double humped rather than dome shaped.     

Diffusion in a periodic Lorentz gas

We use a constant driving forceF _d together with a Gaussian thermostatting constraint forceF _d to simulate a nonequilibrium steady-state current (particle velocity) in a periodic, two-dimensional, classical Lorentz gas. The ratio of the average particle velocity to the driving force (field strength) is the Lorentz-gas conductivity. A regular Galton-board lattice of fixed particles is arranged in a dense triangular-lattice structure. The moving scatterer particle travels through the lattice at constant kinetic energy, making elastic hard-disk collisions with the fixed particles. At low field strengths the nonequilibrium conductivity is statistically indistinguishable from the equilibrium Green-Kubo estimate of Machta and Zwanzig. The low-field conductivity varies smoothly, but in a complicated way, with field strength. For moderate fields the conductivity generally decreases nearly linearly with field, but is nearly discontinuous at certain values where interesting stable cycles of collisions occur. As the field is increased, the phase-space probability density drops in apparent fractal dimensionality from 3 to 1. We compare the nonlinear conductivity with similar zero-density results from the two-particle Boltzmann equation. We also tabulate the variation of the kinetic pressure as a function of the field strength,     

Field-induced percolation in a polarized lattice gas

We introduce a lattice gas model with particles carrying a charge either +1 or –1 and drifting in opposite directions due to the presence of an external field. Our numerical simulations show the formation of polarized clusters elongated along the direction of the field. At low enough temperatures the clusters percolate through the system in a similar way as in the strip phase of the driven lattice gas model. A possible application of the model can be found in microemulsions.     

Collective diffusion in a lattice gas automaton

We report on non-mean-field and ring-kinetic-theory calculations of both the momentum autocorrelation function and the collective diffusion coefficient in a diffusive lattice gas automaton. For both quantities the ring approximation is calculated exactly. A saddle point method yields a leadingt ^–2 and a subleadingt ^–5/2 long-time tail in the momentum autocorrelation function. The ring kinetic corrections to the mean field value of the diffusion coefficient are in good agreement with computer simulations.     

Diffusion of interacting particles on a percolating lattice

The diffusion has been simulated by the Monte Carlo method on a random lattice. As in the ant in the labyrinth problem the particles move by stepping to allowed, randomly chosen neighboring fields. The particle interaction has been defined by the constraint that only one particle can occupy a site at a time. Biased diffusion means that one of the directions will be chosen with a greater probability than the others. It was shown that, with an increasing number of walkers, the displacement of the particles first of all increases to a maximum value and then decreases. This filling-up effect will not occur with small bias fields and on lattices with a high concentration of allowed sites.