[HTML][HTML] A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges
The pressure tensor (equivalent to the negative stress tensor) at both microscopic and
macroscopic levels is fundamental to many aspects of engineering and science, including …
macroscopic levels is fundamental to many aspects of engineering and science, including …
A review of recent developments in molecular dynamics simulations of the photoelectrochemical water splitting process
In this review, we provide a short overview of the Molecular Dynamics (MD) method and how
it can be used to model the water splitting process in photoelectrochemical hydrogen …
it can be used to model the water splitting process in photoelectrochemical hydrogen …
Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics
The motion of the three-phase contact line between two immiscible fluids and a solid surface
arises in a variety of wetting phenomena and technological applications. One challenge in …
arises in a variety of wetting phenomena and technological applications. One challenge in …
Contact-line fluctuations and dynamic wetting
JC Fernández-Toledano, TD Blake… - Journal of colloid and …, 2019 - Elsevier
Hypothesis The thermal fluctuations of the three-phase contact line formed between a liquid
and a solid at equilibrium can be used to determine key parameters that control dynamic …
and a solid at equilibrium can be used to determine key parameters that control dynamic …
Nanoscale thin-film flows with thermal fluctuations and slip
The combined effects of thermal fluctuations and liquid-solid slip on nanoscale thin-film
flows are investigated using stochastic lubrication equations (SLEs). The previous no-slip …
flows are investigated using stochastic lubrication equations (SLEs). The previous no-slip …
Thermal capillary waves on bounded nanoscale thin films
The effect of confining walls on the fluctuation of a nanoscale thin film's free surface is
studied using stochastic thin-film equations (STFEs). Two canonical boundary conditions are …
studied using stochastic thin-film equations (STFEs). Two canonical boundary conditions are …
[HTML][HTML] Coupled atomistic–continuum simulations of nucleate boiling
Boiling is a striking example of a multiscale process, where the dynamics of bubbles is
governed by the interplay between the molecular interactions responsible for nucleation …
governed by the interplay between the molecular interactions responsible for nucleation …
The change in the wetting regime of a nanodroplet on a substrate with varying wettability: A molecular dynamics investigation
The effect of the triple-phase contact line (TPCL) on the wetting phenomenon has been
extensively discussed during the past decade. Numerous attempts have also been made to …
extensively discussed during the past decade. Numerous attempts have also been made to …
Moving contact lines: Linking molecular dynamics and continuum-scale modeling
Despite decades of research, the modeling of moving contact lines has remained a
formidable challenge in fluid dynamics whose resolution will impact numerous industrial …
formidable challenge in fluid dynamics whose resolution will impact numerous industrial …
The importance of reference frame for pressure at the liquid–vapour interface
ER Smith - Molecular Simulation, 2022 - Taylor & Francis
The local pressure tensor is non-unique, a fact which has generated confusion and debate
in the 70 years since the seminal work by Irving Kirkwood. This non-uniqueness is normally …
in the 70 years since the seminal work by Irving Kirkwood. This non-uniqueness is normally …