2 papers
physics.chem-ph2026
Accounting for Nanofilm Contributions in Interfacial Free Energy Calculations Using Classical Density Functional Theory
Yafan Yang, Zufeng Zuo, Xingyu Zhao +2
Fluid nanofilms play a fundamental role in nanoscale interfacial thermodynamics, yet their treatment in classical density functional theory (cDFT) remains incomplete. We investigat…
physics.chem-ph2026
Resolving Discrepancies in Disjoining Pressure Predictions for Liquid Nanofilms from Molecular Simulations
Yafan Yang, Zufeng Zuo, Jingyu Wan +2
Literature values of disjoining pressure in liquid nanofilms from different molecular simulation methods show significant discrepancies. We demonstrate that these arise from neglec…