Tribology with NEMD: Calculating Friction Using ReaxFF in AMS

Ams insights tribology

Part 9 of our AMS Weekly Video Series

This video demonstrates how to set up a Non-Equilibrium Molecular Dynamics (NEMD) simulation in AMS to study tribological behavior between two sliding quartz surfaces using the ReaxFF force field. After defining regions, applying external forces, and running the simulation, the resulting force profiles are analyzed to extract a reliable friction coefficient, revealing how atomic-scale interactions govern macroscopic friction.

This episode continues our series of concise, practical modeling tips—explore this and many more compact, informative tutorials in our dedicated YouTube playlist.

🎥 Watch the video:

➡️ Input files.

➡️ Getting started with scripting

👉 Missed last week’s episode?

➡️ Watch all videos published so far

Stay tuned for next week’s episode in our AMS video series, where we’ll continue exploring tools that accelerate materials and molecular discovery.

💡 Stay Connected

Stay up to date with the latest from SCM and AMS — including new software releases, feature highlights, job openings, and announcements like this video series.
➡️ Subscribe to the AMS Newsletter

Try AMS for Yourself

Experience how AMS can accelerate your research.
➡️ Start your free trial of AMS
Have questions about how PESExploration can support your specific workflows?
➡️ Contact our team — we’re happy to help you get started.

Back

Stay up to date!

Subscribe to our newsletter (5 times a year) to stay up to date about news, job openings, functionality and events such as webinars and workshops!

No sales. No spam. Occasional notifications. Unsubscribe anytime.