Search Results - "Masters, A.J."

Orientational dynamics in nematic liquid crystals: A coarse-grained simulation study by Humpert, A., Masters, A.J., Allen, M.P.

“…We examine the behaviour of single-particle orientational time correlation functions in nematic liquid crystals. As well as the expected dynamics involving…”
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A classical molecular dynamics study of the anomalous ionic product in near-critical and supercritical water by Halstead, S.J., Masters, A.J.

“…This paper reports a molecular dynamics simulation study on the ionic dissociation of water. Experimentally the ionic product of water, K W , is known to…”
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A theoretical study of the dehydration of tertiary butanol in near-critical and supercritical water by Halstead, S.J., Masters, A.J.

“…Molecular dynamics simulations were performed to investigate the dehydration of tertiary butanol in water under ambient, near-critical and supercritical…”
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Binary mixtures of hard spheres: how far can one go with the virial equation of state? by Vlasov, A.Yu, Masters, A.J

“…We describe a technique to calculate partial virial coefficients up to seventh order in a binary mixture of hard spheres, using hit-and-miss Monte-Carlo (MC)…”
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First return probabilities in a Lorentz gas by Lowe, C.P., Masters, A.J.

“…We investigate the distribution of first return times, J( t), for a two-dimensional, overlapping Lorentz gas model. This can be seen as a study of a model…”
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Monte Carlo simulation and self-consistent field theory for a single block copolymer chain in selective solvents by Yuan, X.F., Masters, A.J.

“…A self-consistent field (SCF) theory and a Monte Carlo (MC) simulation technique have been developed for block copolymer systems. Calculations were carried out…”
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Various velocity correlations functions in a Lorentz gas - simulation and mode coupling theory by Lowe, C.P., Masters, A.J.

“…We present computer simulation results for several types of velocity correlation function in the two dimensional, overlapping Lorentz gas. Only the normal…”
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Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential by Akhmatskaya, E.V., Cooper, M.D., Burton, N.A., Masters, A.J., Hillier, I.H.

“…We have performed a simulation of a cluster of five water molecules at 300 K in which the potential at each step was calculated at the Hartree-Fock level using…”
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