68 citations · 208 across the 16 of their papers we have counts for
5 papers · 1 filter
Mechanical and thermodynamic routes to the liquid-liquid interfacial tension and mixing free energy by molecular dynamics
Rei Ogawa, Hiroki Kusudo, Takeshi Omori +4
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibilit…
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…
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 Importance of Reference Frame for Pressure at the Liquid-Vapour Interface
Edward R. Smith
The local pressure tensor is non-unique, a fact which has generated confusion and debate in the seventy years since the seminal work by Irving Kirkwood. This non-uniqueness is norm…
Moving Contact Lines: Linking Molecular Dynamics and Continuum-Scale Modeling
E. R. Smith, P. E. Theodorakis, R. V. Craster +1
Despite decades of research, the modeling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological…