5 papers · 1 filter
Solvent-induced memory effects in a model electrolyte
Sleeba Varghese, Benjamin Rotenberg, Pierre Illien
The fluctuations of ions in polar solvents remain poorly understood theoretically due to the complex coupling between ionic motion and solvent polarization. Indeed, while all-atom…
Coupled concentration-charge dynamics in asymmetric 1:1 electrolytes, local transient response and fluctuations
Thê Hoang Ngoc Minh, Sleeba Varghese, Benjamin Rotenberg
We investigate the coupled dynamics of concentration and charge in asymmetric 1:1 electrolytes, focusing on the interplay between diffusion asymmetry and external electric fields.…
NAVIS: A LAMMPS-Python framework for efficient computation of nanochannel velocity and thermal interfacial slip
Sleeba Varghese, Sobin Alosious, Jesper Schmidt Hansen +1
We present NAVIS (NAnochannel Velocity and thermal Interfacial Slip), a LAMMPS-Python scripted toolkit for computing the Navier (hydrodynamic) friction coefficient and Kapitza (the…
Existence of a maximum flow rate in electro-osmotic systems
Sleeba Varghese, Billy D. Todd, Jesper S. Hansen
In this work, we investigate the effect of the hydrodynamic wall-fluid friction in electro-osmotic flows. First, we present the solution to the electro-hydrodynamic equation for th…
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…