17 citations · 24 across the 6 of their papers we have counts for
6 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…
Study of arbitrarily low shear rate rheology using dissipative particle dynamics
Francesco De Roma, Luca Maffioli, Edward R. Smith +1
The use of dissipative particle dynamics (DPD) simulation to study the rheology of fluids under shear has always been of great interest to the research community. Despite being a p…
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)…
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…
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…
Computation of the equilibrium three-particle entropy for dense atomic fluids by molecular dynamics simulation
Luca Maffioli, Nathan Clisby, Federico Frascoli +1
We have computed the two and three-particle contribution to the entropy of a Weeks-Chandler-Andersen fluid via molecular dynamics simulations. The three-particle correlation functi…