17 citations · 37 across the 8 of their papers we have counts for
8 papers
Molecular dynamics simulation of high slip flow of water confined between graphene nanochannels at experimentally accessible strain rates
Carmelo Civello, Luca Maffioli, Edward Smith +4
The transient time correlation function method (TTCF) has emerged as a powerful methodology for accurately probing systems at low shear rates. In the present study, TTCF was used t…
The influence of boundary conditions and interfacial slip on the time taken to achieve a nonequilibrium steady-state for highly confined flows
Carmelo Riccardo Civello, Luca Maffioli, Joseph Johnson +5
We investigate the equilibration time to attain steady-state for a system of liquid molecules under boundary-driven planar Couette flow via nonequilibrium molecular dynamics (NEMD)…
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…
TTCF4LAMMPS: A toolkit for simulation of the non-equilibrium behaviour of molecular fluids at experimentally accessible shear rates
Luca Maffioli, James P. Ewen, Edward R. Smith +4
We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By com…
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…
Slip and Stress From Low Strain-Rate Nonequilibrium Molecular Dynamics: The Transient-Time Correlation Function Technique
Luca Maffioli, Edward R. Smith, James P. Ewen +3
We derive the transient-time correlation function (TTCF) expression for the computation of phase variables of inhomogenous confined atomistic fluids undergoing boundary-driven plan…
The Intrinsic Fragility of the Liquid-Vapor Interface: A Stress Network Perspective
Muhammad Rizwanur Rahman, Li Shen, James P. Ewen +2
The evolution of the liquid-vapour interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest, in agree…