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

Non-monotonous crossover between capillary condensation and interface localisation/delocalisation transition in binary polymer blends

Within self-consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A component and the corresponding semi-infinite system exhibits a first order wetting transition. The surface interaction of the opposite surface is varied as to study the crossover from capillary condensation for symmetric surface fields to the interface localisation/delocalisation transition for antisymmetric surface fields. In the former case the phase diagram has a single critical point close to the bulk critical point. In the latter case the phase diagram exhibits two critical points which correspond to the prewetting critical points of the semi-infinite system. The crossover between these qualitatively different limiting behaviours occurs gradually, however, the critical temperature and the critical composition exhibit a non-monotonic dependence on the surface field.Comment: to appear in Europhys.Let

A two dimensional model for ferromagnetic martensites

We consider a recently introduced 2-D square-to-rectangle martensite model that explains several unusual features of martensites to study ferromagnetic martensites. The strain order parameter is coupled to the magnetic order parameter through a 4-state clock model. Studies are carried out for several combinations of the ordering of the Curie temperatures of the austenite and martensite phases and, the martensite transformation temperature. We find that the orientation of the magnetic order which generally points along the short axis of the rectangular variant, changes as one crosses the twin or the martensite-austenite interface. The model shows the possibility of a subtle interplay between the growth of strain and magnetic order parameters as the temperature is decreased. In some cases, this leads to qualitatively different magnetization curves from those predicted by earlier mean field models. Further, we find that strain morphology can be substantially altered by the magnetic order. We have also studied the dynamic hysteresis behavior. The corresponding dissipation during the forward and reverse cycles has features similar to the Barkhausen's noise.Comment: 9 pages, 11 figure

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

Darwinian Data Structure Selection

Data structure selection and tuning is laborious but can vastly improve an application's performance and memory footprint. Some data structures share a common interface and enjoy multiple implementations. We call them Darwinian Data Structures (DDS), since we can subject their implementations to survival of the fittest. We introduce ARTEMIS a multi-objective, cloud-based search-based optimisation framework that automatically finds optimal, tuned DDS modulo a test suite, then changes an application to use that DDS. ARTEMIS achieves substantial performance improvements for \emph{every} project in $5$ Java projects from DaCapo benchmark, $8$ popular projects and $30$ uniformly sampled projects from GitHub. For execution time, CPU usage, and memory consumption, ARTEMIS finds at least one solution that improves \emph{all} measures for $86\%$ ($37/43$) of the projects. The median improvement across the best solutions is $4.8\%$, $10.1\%$, $5.1\%$ for runtime, memory and CPU usage. These aggregate results understate ARTEMIS's potential impact. Some of the benchmarks it improves are libraries or utility functions. Two examples are gson, a ubiquitous Java serialization framework, and xalan, Apache's XML transformation tool. ARTEMIS improves gson by $16.5$\%, $1\%$ and $2.2\%$ for memory, runtime, and CPU; ARTEMIS improves xalan's memory consumption by $23.5$\%. \emph{Every} client of these projects will benefit from these performance improvements.Comment: 11 page

Polymer-Chain Adsorption Transition at a Cylindrical Boundary

In a recent letter, a simple method was proposed to generate solvable models that predict the critical properties of statistical systems in hyperspherical geometries. To that end, it was shown how to reduce a random walk in $D$ dimensions to an anisotropic one-dimensional random walk on concentric hyperspheres. Here, I construct such a random walk to model the adsorption-desorption transition of polymer chains growing near an attractive cylindrical boundary such as that of a cell membrane. I find that the fraction of adsorbed monomers on the boundary vanishes exponentially when the adsorption energy decreases towards its critical value. When the adsorption energy rises beyond a certain value above the critical point whose scale is set by the radius of the cell, the adsorption fraction exhibits a crossover to a linear increase characteristic to polymers growing near planar boundaries.Comment: latex, 12 pages, 3 ps-figures, uuencode

Finite-size scaling at the dynamical transition of the mean-field 10-state Potts glass

We use Monte Carlo simulations to study the static and dynamical properties of a Potts glass with infinite range Gaussian distributed exchange interactions for a broad range of temperature and system size up to N=2560 spins. The results are compatible with a critical divergence of the relaxation time tau at the theoretically predicted dynamical transition temperature T_D, tau \propto (T-T_D)^{-\Delta} with Delta \approx 2. For finite N a further power law at T=T_D is found, tau(T=T_D) \propto N^{z^\star} with z^\star \approx 1.5 and for T>T_D dynamical finite-size scaling seems to hold. The order parameter distribution P(q) is qualitatively compatible with the scenario of a first order glass transition as predicted from one-step replica symmetry breaking schemes.Comment: 8 pages of Latex, 4 figure

Explicit Renormalization Group for D=2 random bond Ising model with long-range correlated disorder

We investigate the explicit renormalization group for fermionic field theoretic representation of two-dimensional random bond Ising model with long-range correlated disorder. We show that a new fixed point appears by introducing a long-range correlated disorder. Such as the one has been observed in previous works for the bosonic ($\phi^4$) description. We have calculated the correlation length exponent and the anomalous scaling dimension of fermionic fields at this fixed point. Our results are in agreement with the extended Harris criterion derived by Weinrib and Halperin.Comment: 5 page

Phase transitions in nanosystems caused by interface motion: The Ising bi-pyramid with competing surface fields

The phase behavior of a large but finite Ising ferromagnet in the presence of competing surface magnetic fields +/- H_s is studied by Monte Carlo simulations and by phenomenological theory. Specifically, the geometry of a double pyramid of height 2L is considered, such that the surface field is positive on the four upper triangular surfaces of the bi-pyramid and negative on the lower ones. It is shown that the total spontaneous magnetization vanishes (for L -> infinity) at the temperature T_f(H), related to the "filling transition" of a semi-infinite pyramid, which can be well below the critical temperature of the bulk. The discontinuous vanishing of the magnetization is accompanied by a susceptibility that diverges with a Curie-Weiss power law, when the transition is approached from either side. A Landau theory with size-dependent critical amplitudes is proposed to explain these observations, and confirmed by finite size scaling analysis of the simulation results. The extension of these results to other nanosystems (gas-liquid systems, binary mixtures, etc.) is briefly discussed

Exact Solution of Semi-Flexible and Super-Flexible Interacting Partially Directed Walks

We provide the exact generating function for semi-flexible and super-flexible interacting partially directed walks and also analyse the solution in detail. We demonstrate that while fully flexible walks have a collapse transition that is second order and obeys tricritical scaling, once positive stiffness is introduced the collapse transition becomes first order. This confirms a recent conjecture based on numerical results. We note that the addition of an horizontal force in either case does not affect the order of the transition. In the opposite case where stiffness is discouraged by the energy potential introduced, which we denote the super-flexible case, the transition also changes, though more subtly, with the crossover exponent remaining unmoved from the neutral case but the entropic exponents changing