What question did this study set out to answer?

To compare methodologies for studying the wetting behavior of liquid nano-droplets in molecular dynamics simulations.

January 14, 2026Physical Chemistry Chemical Physics0 citationsOpen Access

Robust methods for the characterization of droplet behavior in molecular dynamics: from contact radius to contact angle

FEFarshad EsmaeilianWestern University MRMorteza Torabi RadUniversity of Tehran MFMasumeh Foroutan

Key Points

To compare methodologies for studying the wetting behavior of liquid nano-droplets in molecular dynamics simulations.
Simulated different droplet sizes using molecular dynamics.
Examined both complete and partial wetting conditions.
Analyzed contact radius and contact angle in droplet behavior.
Identified key methodologies influencing droplet wetting behavior.
Demonstrated variations in behavior based on droplet size and wetting conditions.

Abstract

We present a comparative analysis of methodologies for studies of wetting behavior of liquid nano-droplets. Different droplet sizes were simulated using molecular dynamics (MD) under both complete and partial wetting...

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