Lubricated contact processes are studied using classical molecular dynamics simulations for
determining the entire range of the Stribeck curve. Therefore, the lateral movement of two …

The prediction of thermophysical properties at extreme conditions is an important application
of molecular simulations. The quality of these predictions primarily depends on the quality of …

The relation of transport properties and the molecular interactions in binary mixtures was
studied. The self-diffusion coefficient, Maxwell–Stefan as well as Fickian mutual diffusion …

A homogenization approach for the simulation of multi-phase flows in heterogeneous
porous media is presented. It is based on the lattice Boltzmann method and combines the …

In the last decades, molecular dynamics (MD) simulations established as an important tool
for solving fluid flow and heat transfer problems at the nanoscale, with a significant …

In this paper, the molecular dynamics (MD) simulations are employed to investigate the
effects of lubricant (PEC4) on the boiling heat transfer of CO 2 on the structured surface. The …

Boiling has superior practical applications in many various industries, particularly in
cryogenic refrigeration. In this paper, a molecular dynamics study on the enhancement of …

MolMod, a web-based database for classical force fields for molecular simulations of fluids
[Mol. Sim. 45, 10 (2019), 806–814], was extended to transferable force fields. Eight …

Modeling transport properties is important for many applications. In this work, an entropy
scaling framework for modeling transport properties using molecular-based equations of …

It is crucial to comprehend how the oil film varies under dynamic operating conditions and
the accompanying friction properties to better grasp the friction mechanism and control …