Search results for "Lattice model"
showing 10 items of 60 documents
Entangled states and coherent interaction in resonant media
2014
The entanglement features of some solid state materials, as well as of particular systems of interacting atoms and fields are analyzed. A detailed investigation of the rich phase structure of low dimensional spin models, describing the natural mineral azurite and copper based coordination compounds, has revealed regimes with the most robust entanglement behavior. Using the dynamical system approach, the phase structure of some classical models on hierarchical (recursive) lattices has been also studied and, for the first time, the transition between chaotic and periodic regimes by means of tangent bifurcation has been detected.A detailed description of entanglement properties of three atoms …
Self-assembly scenarios of block copolymer stars
2011
We examine the self-organization scenarios of star-shaped AB-block copolymers, consisting of a solvophilic A-block and a solvophobic B-block, in which f such blocks are chemically anchored on a common centre on their A-parts, leaving the B-blocks exposed on their exterior. We employ a lattice model and we perform Grand Canonical Monte Carlo simulations for the case f = 6, varying thereby the percentage of attractive monomers as well as the concentration of stars. In agreement with previous studies on the low-functionality case f = 3 [F. Lo Verso, A.Z. Panagiotopoulos, and C.N. Likos, Phys. Rev. E 79, 010401(R) (2009)], we find that when the majority of monomers in the star are attractive, m…
Unusual finite size effects in the Monte Carlo simulation of microphase formation of block copolymer melts
1995
Extensive Monte Carlo simulations are presented for the Fried-Binder model of block copolymer melts, where polymer chains are represented as self and mutually avoiding walks on a simple cubic lattice, and monomer units of different kind (A, B) repel each other if they are nearest neighbors (e AB > O). Choosing a chain length N = 20, vacancy concentration Φ v = 0,2, composition f = 3/4, and a L × L × L geometry with periodic boundary conditions and 8 ≤ L ≤ 32, finite size effects on the collective structure factor S(q) and the gyration radii are investigated. It is shown that already above the microphase separation transition, namely when the correlation length ζ(T) of concentration fluctuat…
Monte Carlo modelling of the polymer glass transition
1993
We are proposing a lattice model with chemical input for the computer modelling of the polymer glass transition. The chemical input information is obtained by a coarse graining procedure applied to a microscopic model with full chemical detail. We use this information on Bisphenol-A-Polycarbonate to predict it's Vogel-Fulcher temperature out of a dynamic Monte Carlo Simulation. The microscopic structure of the lattice model is that of a genuine amorphous material, and the structural relaxation obeys the time temperature superposition.
Coarsened Lattice Model for Random Granular Systems
1998
In random systems consisting of grains with size distributions the transport properties are difficult to explore by network models. However, the concentration dependence of effective conductivity and its critical properties can be considered within coarsened lattice model proposed that takes into account information from experimentally known size histograms. For certain classes of size distributions the specific local arrangements of grains can induce either symmetrical or unsymmetrical critical behaviour at two threshold concentrations. Using histogram related parameters the non-monotonic behaviour of the conductor-insulator and conductor-superconductor threshold is demonstrated.
GPU accelerated Monte Carlo simulation of the 2D and 3D Ising model
2009
The compute unified device architecture (CUDA) is a programming approach for performing scientific calculations on a graphics processing unit (GPU) as a data-parallel computing device. The programming interface allows to implement algorithms using extensions to standard C language. With continuously increased number of cores in combination with a high memory bandwidth, a recent GPU offers incredible resources for general purpose computing. First, we apply this new technology to Monte Carlo simulations of the two dimensional ferromagnetic square lattice Ising model. By implementing a variant of the checkerboard algorithm, results are obtained up to 60 times faster on the GPU than on a curren…
Semiflexible Macromolecules with Discrete Bond Angles Confined in Nanoslits: A Monte Carlo Test of Scaling Concepts
2013
Single semiflexible polymer chains confined in a planar slit geometry between parallel nonadsorbing repulsive walls a distance D apart are studied by Monte Carlo simulations of a lattice model, for the case of good solvent conditions. The polymers are modeled as self-avoiding walks on the simple cubic lattice, where every 90° kink requires a bending energy eb. For small qb = exp(−eb/kBT) the model has a large persistence length lp (given by lp ≈ 1/(4qb) in the bulk three-dimensional dilute solution, in units of the lattice spacing). Unlike the popular Kratky–Porod model of worm-like chains, this model takes both excluded volume into account and approximates the fact that bond angles between…
Phase Transitions in Dense Lipid Monolayers Grafted to a Surface: Monte Carlo Investigation of a Coarse-Grained Off-Lattice Model
1996
Semiflexible amphiphilic molecules end-grafted at a flat surface are modeled by a bead-spring chain with stiff bond angle potentials. Constant density Monte Carlo simulations are performed varying temperature, density, and chain length of the molecules, whose effective monomers interact with Lennard-Jones potentials. For not too large densities and low temperatures the monolayer is in a quasi-two-dimensional crystalline state, characterized by uniform tilt of the (stretched) chains. Raising the temperature causes a second-order transition into a (still solid) phase with no tilt. For the first time, finite size scaling concepts are applied to a model of a surfactant monolayer, and it is foun…
Transitions of tethered chain molecules under tension
2014
An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent quality and surface attraction are reflected in equilibrium force-extension curves that can be measured in experiments. To investigate these effects theoretically, we study tethered chains under tension with Wang-Landau simulations of a bond-fluctuation lattice model. Applying our model to pulling experiments on biological molecules we obtain a good description of experimental data in the intermediate force range, where universal features dominate and finite…
Effects of nonlinearity and substrate’s deformability on modulation instability in NKG equation
2017
International audience; This article investigates combined effects of nonlinearities and substrate's deformability on modulational instability. For that, we consider a lattice model based on the nonlinear Klein-Gordon equation with an on-site potential of deformable shape. Such a consideration enables to broaden the description of energy-localization mechanisms in various physical systems. We consider the strong-coupling limit and employ semi-discrete approximation to show that nonlinear wave modulations can be described by an extended nonlinear Schrodinger equation containing a fourth-order dispersion component. The stability of modulation of carrier waves is scrutinized and the following …