arXiv subjects

N. B. Wilding

Publications and source records attributed to N. B. Wilding.

26 records · Page 2Linked to original sources

arXiv1996

Simulation studies of fluid critical behaviour

We review and discuss recent advances in the simulation of bulk critical phenomena in model fluids. In particular we emphasise the extensions to finite-size scaling theory needed to cope with the lack of symmetry between coexisting fluid phases. The consequences of this asymmetry for simulation measurements of quantities such as the particle density and the heat capacity are pointed out and the relationship to experiment is discussed. A general simulation strategy based on the finite-size scaling theory is described and its utility illustrated via Monte-Carlo studies of the Lennard-Jones fluid and a two-dimensional spin fluid model. Recent applications to critical polymer blends and solutions are also briefly reviewed. Finally we consider the outlook for future simulation work in the field.

cond-mat.stat-mech↗

arXiv1996

Finite-size scaling for near-critical continuum fluids at constant pressure

We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle number. To test the proposed scaling form, constant pressure simulations of the Lennard-Jones fluid at its liquid-vapour critical point are performed. The critical scaling operator distributions are obtained and their scaling with particle number found to be consistent with the proposed behaviour. The forms of these scaling distributions are shown to be identical to their Ising model counterparts. The relative merits of employing the constant-NpT and grand canonical (constant-$μ$VT) ensembles for simulations of fluid criticality are also discussed.

cond-mat↗

arXiv1996

Chain length dependence of the polymer-solvent critical point parameters

We report grand canonical Monte Carlo simulations of the critical point properties of homopolymers within the Bond Fluctuation model. By employing Configurational Bias Monte Carlo methods, chain lengths of up to N=60 monomers could be studied. For each chain length investigated, the critical point parameters were determined by matching the ordering operator distribution function to its universal fixed-point Ising form. Histogram reweighting methods were employed to increase the efficiency of this procedure. The results indicate that the scaling of the critical temperature with chain length is relatively well described by Flory theory, i.e. Θ-T_c\sim N^{-0.5}. The critical volume fraction, on the other hand, was found to scale like ϕ_c\sim N^{-0.37}, in clear disagreement with the Flory theory prediction ϕ_c\sim N^{-0.5}, but in good agreement with experiment. Measurements of the chain length dependence of the end-to-end distance indicate that the chains are not collapsed at the critical point.

cond-mat↗

arXiv1995

Errors in Monte Carlo simulations using shift register random number generators

We report large systematic errors in Monte Carlo simulations of the tricritical Blume-Capel model using single spin Metropolis updating. The error, manifest as a $20\%$ asymmetry in the magnetisation distribution, is traced to the interplay between strong triplet correlations in the shift register random number generator and the large tricritical clusters. The effect of these correlations is visible only when the system volume is a multiple of the random number generator lag parameter. No such effects are observed in related models.

cond-mat↗

arXiv1995

Tricritical universality in a two-dimensional spin fluid

Monte Carlo simulations are used to investigate the tricritical point properties of a 2d spin fluid. Measurements of the scaling operator distributions are employed in conjunction with a finite-size scaling analysis to locate the tricritical point and determine the directions of the relevant scaling fields and their associated tricritical exponents. The scaling operator distributions and exponents are shown to match quantitatively those of the 2d Blume-Capel model, confirming that both models belong to the same universality class. Mean-field calculations of the tricritical point properties are also compared with the simulation measurements.

cond-mat↗

arXiv1995

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.

cond-mat↗

arXiv1994

Concentration and energy fluctuations in a critical polymer mixture

A semi-grand-canonical Monte Carlo algorithm is employed in conjunction with the bond fluctuation model to investigate the critical properties of an asymmetric binary (AB) polymer mixture. By applying the equal peak-weight criterion to the concentration distribution, the coexistence curve separating the A-rich and B-rich phases is identified as a function of temperature and chemical potential. To locate the critical point of the model, the cumulant intersection method is used. The accuracy of this approach for determining the critical parameters of fluids is assessed. Attention is then focused on the joint distribution function of the critical concentration and energy, which is analysed using a mixed-field finite-size-scaling theory that takes due account of the lack of symmetry between the coexisting phases. The essential Ising character of the binary polymer critical point is confirmed by mapping the critical scaling operator distributions onto independently known forms appropriate to the 3D Ising universality class. In the process, estimates are obtained for the field mixing parameters of the model which are compared both with those yielded by a previous method, and with the predictions of a mean field calculation.

cond-mat↗

arXiv1993

Critical Point Field Mixing in an Asymmetric Lattice Gas Model

The field mixing that manifests broken particle-hole symmetry is studied for a 2-D asymmetric lattice gas model having tunable field mixing properties. Monte Carlo simulations within the grand canonical ensemble are used to obtain the critical density distribution for different degrees of particle-hole asymmetry. Except in the special case when this asymmetry vanishes, the density distributions exhibit an antisymmetric correction to the limiting scale-invariant form. The presence of this correction reflects the mixing of the critical energy density into the ordering operator. Its functional form is found to be in excellent agreement with that predicted by the mixed-field finite-size-scaling theory of Bruce and Wilding. A computational procedure for measuring the significant field mixing parameter is also described, and its accuracy gauged by comparing the results with exact values obtained analytically.

cond-mat↗