43 citations · 84 across the 8 of their papers we have counts for
8 papers
A Spatio-Temporal Generalisation of Green Kubo
E. R. Smith, D. Dini, D. M. Heyes
The Green-Kubo (GK) method which is used to obtain the shear viscosity of a model liquid in equilibrium molecular dynamics (MD) often requires long simulation times to obtain accep…
Nanoscale Surfactant Transport: Bridging Molecular and Continuum Models
Muhammad Rizwanur Rahman, James P. Ewen, Li Shen +3
Surfactant transport is central to a diverse range of natural phenomena, and for many practical applications in physics and engineering. Surprisingly, this process remains relative…
Life and Death of a Thin Liquid Film
Muhammad Rizwanur Rahman, Li Shen, James P. Ewen +3
Thin films, bubbles and membranes are central to numerous natural and engineering processes, i.e., in thin-film solar cells, coatings, biosensors, electrowetting displays, foams, a…
Thin Film Rupture from the Atomic Scale
Muhammad Rizwanur Rahman, Li Shen, James P. Ewen +4
The retraction of thin films, as described by the Taylor-Culick (TC) theory, is subject to widespread debate, particularly for films at the nanoscale. We use non-equilibrium molecu…
Chemical potential of a test hard sphere of variable size in hard-sphere fluid mixtures
David M. Heyes, Andrés Santos
A detailed comparison between the Boublík-Mansoori-Carnahan-Starling-Leland (BMCSL)equation of state of hard-sphere mixtures is made with Molecular Dynamics (MD) simulations of the…
Chemical potential of a test hard sphere of variable size in a hard-sphere fluid
David M. Heyes, Andrés Santos
The Labík and Smith Monte Carlo simulation technique to implement the Widom particle insertion method is applied using Molecular Dynamics (MD) instead to calculate numerically the…
Line of critical states for Lennard-Jones fluids
David M. Heyes, Leslie V. Woodcock
A method of obtaining the critical temperature from within a supercritical mesophase bounded by percolation transition loci is described. We report thermodynamic pressures from MD…
Control-volume representation of molecular dynamics
E. R. Smith, D. M. Heyes, D. Dini +1
A Molecular Dynamics (MD) parallel to the Control Volume (CV) formulation of fluid mechanics is developed by integrating the formulas of Irving and Kirkwood, J. Chem. Phys. 18, 817…