Condensation in a capped capillary is a continuous critical phenomenon (2007)
Parry, A. O., Rascon, C., Wilding, N. B., Evans, R.
We show that condensation in a capped capillary slit is a continuous interfacial critical phenomenon, related intimately to several other surface phase transitions. In three dimensions, the...
Continuous Capillary Condensation (2007)
Parry, A. O., Rascon, C., Wilding, N. B., Evans, R.
We show that condensation in a capped capillary slit is a continuous interfacial critical phenomenon, related intimately to several other surface phase transitions. In three dimensions (3d), the...
A non-equilibrium Monte Carlo approach to potential refinement in inverse problems (2003)
The inverse problem for a disordered system involves determining the interparticle interaction parameters consistent with a given set of experimental data. Recently, Rutledge has shown (Phys. Rev....
Maciolek, A., Evans, R., Wilding, N. B.
The density profile and Gibbs adsorption of a near-critical fluid confined between two identical planar walls is studied by means of Monte Carlo simulation and by density functional theory for a...
Computational strategies for mapping equilibrium phase diagrams (2002)
We survey the portfolio of computational strategies available for tackling the generic problems of phase behavior - free-energy-estimation and coexistence-curve mapping.
Pini, D., Stell, G., Wilding, N. B.
We study a model for an argon-like fluid parameterised in terms of a hard-core repulsion and a two-Yukawa potential. The liquid-gas phase behaviour of the model is obtained from the thermodynamically...
Computer simulation of fluid phase transitions (2001)
The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain...
Freezing by Monte Carlo Phase-Switch (2000)
We describe a Monte Carlo procedure which allows sampling of the disjoint configuration spaces associated with crystalline and fluid phases, within a single simulation. The method utilises biased...
Wetting of a symmetrical binary fluid mixture on a wall (2000)
We study the wetting behaviour of a symmetrical binary fluid below the demixing temperature at a non-selective attractive wall. Although it demixes in the bulk, a sufficiently thin liquid film...
Monte Carlo Investigations of Phase Transitions: Status and Perspectives (2000)
Binder, K., Luijten, E., Müller, M., Wilding, N. B., Blöte, H. W. J.
Lattice-switch Monte Carlo (1999)
Bruce, A. D., Jackson, A. N., Ackland, G. J., Wilding, N. B.
We present a Monte Carlo method for the direct evaluation of the difference between the free energies of two crystal structures. The method is built on a lattice-switch transformation that maps a...
Maciolek, A., Evans, R., Wilding, N. B.
The adsorption of a near-critical fluid confined in a slit pore is investigated by means of density functional theory and by Monte Carlo simulation for a Lennard-Jones fluid. Our work was stimulated...
Critical-point finite-size scaling in the microcanonical ensemble (1999)
We develop a scaling theory for the finite-size critical behavior of the microcanonical entropy (density of states) of a system with a critically-divergent heat capacity. The link between the...
Recoil growth: An efficient simulation method for multi-polymer systems (1999)
Consta, S., Wilding, N.B., Frenkel, D., Alexandrowicz, Z.
We present a new Monte Carlo scheme for the efficient simulation of multi-polymer systems. The method permits chains to be inserted into the system using a biased growth technique. The growth...
Recoil growth: an efficient simulation method for multi-polymer systems (1998)
Consta, S., Wilding, N. B., Frenkel, D., Alexandrowicz, Z.
We present a new Monte Carlo scheme for the efficient simulation of multi-polymer systems. The method permits chains to be inserted into the system using a biased growth technique. The growth...
A liquid state theory that remains successful in the critical region (1998)
Pini, D., Stell, G., Wilding, N. B.
A thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) is applied to a fluid of spherical particles with a pair potential given by a hard-core repulsion and a Yukawa attractive...
Liquid-vapour phase behaviour of a symmetrical binary fluid mixture (1998)
Wilding, N. B., Schmid, F., Nieleba, P.
Using Monte-Carlo simulation and mean field calculations, we study the liquid-vapour phase diagram of a square well binary fluid mixture as a function of a parameter $\delta$ measuring the relative...
Effect of criticality on wetting layers: A Monte-Carlo simulation study (1997)
A solid substrate, when exposed to a vapour, can interact with it in such a way that sufficiently close to liquid-vapour coexistence a macroscopically thick liquid wetting layer is formed on the...
Effect of criticality on wetting layers: A Monte-Carlo simulation study (1997)
A solid substrate, when exposed to a vapour, can interact with it in such a way that sufficiently close to liquid-vapour coexistence a macroscopically thick liquid wetting layer is formed on the...
Free energies of crystalline solids: a lattice-switch Monte Carlo method (1997)
Bruce, A. D., Wilding, N. B., Ackland, G. J.
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...
Simulation studies of fluid critical behaviour (1996)
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...
Finite-size scaling for near-critical continuum fluids at constant pressure (1996)
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...
Chain length dependence of the polymer-solvent critical point parameters (1996)
Wilding, N. B., Mueller, M., Binder, K.
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...
Errors in Monte Carlo simulations using shift register random number generators (1995)
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...
Tricritical universality in a two-dimensional spin fluid (1995)
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...
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...
Concentration and energy fluctuations in a critical polymer mixture (1994)
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...
Critical Point Field Mixing in an Asymmetric Lattice Gas Model (1993)
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...