Search results for "Lattice"
showing 10 items of 3278 documents
Quantum Phases in a Resonantly Interacting Boson-Fermion Mixture
2005
We consider a resonantly-interacting Bose-Fermi mixture of $^{40}$K and $^{87}$Rb atoms in an optical lattice. We show that by using a red-detuned optical lattice the mixture can be accurately described by a generalized Hubbard model for $^{40}$K and $^{87}$Rb atoms, and $^{40}$K-$^{87}$Rb molecules. The microscopic parameters of this model are fully determined by the details of the optical lattice and the interspecies Feshbach resonance in the absence of the lattice. We predict a quantum phase transition to occur in this system already at low atomic filling fraction, and present the phase diagram as a function of the temperature and the applied magnetic field.
Parallelization of a Lattice Boltzmann Suspension Flow Solver
2002
We have applied a parallel Lattice Boltzmann method to solve the behaviour of the suspension flow. The complex behaviour of the suspension flow cannot be solved by analytical methods, so simulations are the only way to study it. Usually the size of an interesting problem is so big that calculation time on one processor is too long, and this can be solved by parallel program. We have written a parallel suspension flow solver and tested it on massive parallel computers. The measured performance of our program show that the parallelization of suspension particles was successful. We also show that over one million particles can be simulated.
Mobility, interdiffusion, and tracer diffusion in lattice-gas models of two-component alloys
1989
The transport properties of lattice-gas models of alloys with two particle species are studied. The numbers of the particles and vacancies are conserved, and the two particle species have different exchange rates with the vacancies. The mobility and interdiffusion is described by the linear Onsager theory of transport. The Onsager coefficients are estimated from numerical simulations of the mobilities. A recently proposed relation between the Onsager coefficients of the random-alloy model is verified. The interdiffusion of the two species is directly monitored in the simulations; it is well described by the estimated Onsager coefficients. The results on interdiffusion are compared with simu…
Textures in hexatic films of nonchiral liquid crystals: Symmetry breaking and modulated phases
1994
Novel modulated textures, such as stripes and multiarmed star defects, have been observed in freely suspended films of nonchiral liquid crystals just below the smectic-$C$ to hexatic phase transition. Detailed studies using depolarized reflection microscopy suggest that the stripes are locally chiral surface splay domains of the smectic-$L$ phase, a tilted hexatic not previously identified in thermotropic liquid crystals. Line defects which form additional domain walls in the hexatic lattice lead to characteristic modulations of the basic one-dimensional stripe pattern. Inside thick circular islands, for example, stripes form circumferentially and the lines form centered 12-armed stars, res…
Theory of glass transition in spin glasses, orientational glasses and structural glasses
2008
Theoretical concepts about the glass transition are briefly reviewed, and the test of these ideas by Monte Carlo simulations of simple lattice models is described, with an emphasis on isotropic and anisotropic orientational glasses, and the bond fluctuation model of polymer melts. It is suggested that orientational glasses do have an equilibrium phase transition at zero temperature (in d = 3 dimensions!) only, in contrast to the Ising spin glass which orders at nonzero temperature. A diverging glass correlation length is identified that is responsible for the anomalous slowing down. For the Potts glass, the divergence seems to be exponential, implying that the model is at its lower critical…
Anomalous diffusion of polymers in supercooled melts near the glass transition
2007
Two coarse-grained models for polymer chains in dense melts near the glass transition are investigated: the bond fluctuation lattice model, where long bonds are energetically favored, is studied by dynamic Monte Carlo simulation, and an off-lattice bead-spring model with Lennard-Jones forces between the beads is treated by Molecular Dynamics. We compare the time-dependence of the mean square displacements of both models, and show that they become very similar on mesoscopic scales (i.e., displacements larger than a bond length). The slowing down of motions near the glass transition is discussed in terms of the mode coupling theory and other concepts.
Computer Simulations and Coarse-Grained Molecular Models Predicting the Equation of State of Polymer Solutions
2010
Monte Carlo and molecular dynamics simulations are, in principle, powerful tools for carrying out the basic task of statistical thermodynamics, namely the prediction of macroscopic properties of matter from suitable models of effective interactions between atoms and molecules. The state of the art of this approach is reviewed, with an emphasis on solutions of rather short polymer chains (such as alkanes) in various solvents. Several methods of constructing coarse-grained models of the simple bead–spring type will be mentioned, using input either from atomistic models (considering polybutadiene as an example) or from experiment. Also, the need to have corresponding coarse-grained models of t…
Theoretical investigation of the self-trapped hole in alkali halides. I. Long-range effects within the model hamiltonian approach
1994
A small-radius polaron model of the self-trapped hole (Vk-center) in alkali halide crystals is presented. Along with the usual contributions, the electronic polarization is also included in accordance with the electronic polaron theory of Toyozawa. It is shown that the exact solution of the problem within the Landau-Pekar approximation leads to multi-hole quantum states accompanied by the relevant electronic and lattice polarizations. As an example the KCl crystal is considered, for which the Vk-center structure as well as the self-trapping energy are computed. While solving our equations, the local symmetry of the defect is taken into account allowing us to consider a comparatively spread …
The effect of low pressure on a high-spin—low-spin transition
1983
Abstract The effect of low pressure ( p = 150 bar) on the high-spin (HS)—low-spin (LS) transition in [Fe x Zn 1− x (2-pic) 3 ]Cl 2 · EtOH ( x = 0.5, 1.0) was measured by Mossbauer spectroscopy and the results compared with theory. The linear dependence of the volume of the lattice on the HS fraction, which is the basic assumption of the theory, was proven by temperature dependent X-ray measurements.
Competition between submonolayer ordering and multilayer adsorption: Studies of simple lattice gas models
1986
Abstract We model condensation of adatoms at a substrate surface by a semi-infinite simple cubic lattice gas system. While in the bulk there is just a nearest-neighbour attractive interaction, in the first layer adjacent to the surface we allow for a periodic potential due to the substrate with a period of two lattice spacings, or for a next-nearest-neighbour repulsive interaction mediated by the substrate. Hence order-disorder phenomena may occur in the first layer, while only gas-liquid condensation transitions can occur in layers further away from the substrate surface. The ground-state phase diagrams of this model are obtained exactly, while the behaviour at nonzero temperatures is obta…