Interfacial friction between semiflexible polymers and crystalline surfaces

The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with adjustable intrinsic stiffness. The structure and relaxation dynamics of polymer chains near interfaces are quantified by the radius of gyration and decay of the time autocorrelation function of the first normal mode. We found that the friction coefficient at small slip velocities exhibits a distinct maximum which appears due to shear-induced alignment of semiflexible chain segments in contact with solid walls. At large slip velocities the decay of the friction coefficient is independent of the chain stiffness. The data for the friction coefficient and shear viscosity are used to elucidate main trends in the nonlinear shear rate dependence of the slip length. The influence of chain stiffness on the relationship between the friction coefficient and the structure factor in the first fluid layer is discussed.Comment: 31 pages, 12 figure

Adhesion-induced lateral phase separation of multi-component membranes: the effect of repellers and confinement

We present a theoretical study for adhesion-induced lateral phase separation for a membrane with short stickers, long stickers and repellers confined between two hard walls. The effects of confinement and repellers on lateral phase separation are investigated. We find that the critical potential depth of the stickers for lateral phase separation increases as the distance between the hard walls decreases. This suggests confinement-induced or force-induced mixing of stickers. We also find that stiff repellers tend to enhance, while soft repellers tend to suppress adhesion-induced lateral phase separation

Mean field and Monte Carlo studies of the magnetization-reversal transition in the Ising model

Detailed mean field and Monte Carlo studies of the dynamic magnetization-reversal transition in the Ising model in its ordered phase under a competing external magnetic field of finite duration have been presented here. Approximate analytical treatment of the mean field equations of motion shows the existence of diverging length and time scales across this dynamic transition phase boundary. These are also supported by numerical solutions of the complete mean field equations of motion and the Monte Carlo study of the system evolving under Glauber dynamics in both two and three dimensions. Classical nucleation theory predicts different mechanisms of domain growth in two regimes marked by the strength of the external field, and the nature of the Monte Carlo phase boundary can be comprehended satisfactorily using the theory. The order of the transition changes from a continuous to a discontinuous one as one crosses over from coalescence regime (stronger field) to nucleation regime (weaker field). Finite size scaling theory can be applied in the coalescence regime, where the best fit estimates of the critical exponents are obtained for two and three dimensions.Comment: 16 pages latex, 13 ps figures, typos corrected, references adde

Short-time critical dynamics at perfect and non-perfect surface

We report Monte Carlo simulations of critical dynamics far from equilibrium on a perfect and non-perfect surface in the 3d Ising model. For an ordered initial state, the dynamic relaxation of the surface magnetization, the line magnetization of the defect line, and the corresponding susceptibilities and appropriate cumulant is carefully examined at the ordinary, special and surface phase transitions. The universal dynamic scaling behavior including a dynamic crossover scaling form is identified. The exponent $\beta_1$ of the surface magnetization and $\beta_2$ of the line magnetization are extracted. The impact of the defect line on the surface universality classes is investigated.Comment: 11figure

Are critical finite-size scaling functions calculable from knowledge of an appropriate critical exponent?

Critical finite-size scaling functions for the order parameter distribution of the two and three dimensional Ising model are investigated. Within a recently introduced classification theory of phase transitions, the universal part of the critical finite-size scaling functions has been derived by employing a scaling limit that differs from the traditional finite-size scaling limit. In this paper the analytical predictions are compared with Monte Carlo simulations. We find good agreement between the analytical expression and the simulation results. The agreement is consistent with the possibility that the functional form of the critical finite-size scaling function for the order parameter distribution is determined uniquely by only a few universal parameters, most notably the equation of state exponent.Comment: 11 pages postscript, plus 2 separate postscript figures, all as uuencoded gzipped tar file. To appear in J. Phys. A

Monte Carlo study of the magnetic critical properties of the two-dimensional Ising fluid

A two-dimensional fluid of hard spheres each having a spin $\pm 1$ and interacting via short-range Ising-like interaction is studied near the second order phase transition from the paramagnetic gas to the ferromagnetic gas phase. Monte Carlo simulation technique and the multiple histogram data analysis were used. By measuring the finite-size behaviour of several different thermodynamic quantities,we were able to locate the transition and estimate values of various static critical exponents. The values of exponents $\beta/\nu$ and $\gamma/\nu$ are close to the ones for the two-dimensional lattice Ising model. However, our result for the exponent $\nu =1.35$ is very different from the one for the Ising universality class.Comment: 6 pages, 8 figures. To appear in Phys. Rev.

Driven Diffusive Systems: How Steady States Depend on Dynamics

In contrast to equilibrium systems, non-equilibrium steady states depend explicitly on the underlying dynamics. Using Monte Carlo simulations with Metropolis, Glauber and heat bath rates, we illustrate this expectation for an Ising lattice gas, driven far from equilibrium by an `electric' field. While heat bath and Glauber rates generate essentially identical data for structure factors and two-point correlations, Metropolis rates give noticeably weaker correlations, as if the `effective' temperature were higher in the latter case. We also measure energy histograms and define a simple ratio which is exactly known and closely related to the Boltzmann factor for the equilibrium case. For the driven system, the ratio probes a thermodynamic derivative which is found to be dependent on dynamics

Dynamic Monte Carlo Measurement of Critical Exponents

Based on the scaling relation for the dynamics at the early time, a new method is proposed to measure both the static and dynamic critical exponents. The method is applied to the two dimensional Ising model. The results are in good agreement with the existing results. Since the measurement is carried out in the initial stage of the relaxation process starting from independent initial configurations, our method is efficient.Comment: (5 pages, 1 figure) Siegen Si-94-1

Free energies of crystalline solids: a lattice-switch Monte Carlo method

We present a method for the direct evaluation of the difference between the free energies of two crystalline structures, of different symmetry. The method rests on a Monte Carlo procedure which allows one to sample along a path, through atomic-displacement-space, leading from one structure to the other by way of an intervening transformation that switches one set of lattice vectors for another. The configurations of both structures can thus be sampled within a single Monte Carlo process, and the difference between their free energies evaluated directly from the ratio of the measured probabilities of each. The method is used to determine the difference between the free energies of the fcc and hcp crystalline phases of a system of hard spheres.Comment: 5 pages Revtex, 3 figure