# Integrating Computational Modeling and Experiments for the Additive Manufacturing of Copper-Based Antibacterial Coatings on 304SS Surface

## TL;DR

This study combines experiments and simulations to create copper-based antibacterial coatings on stainless steel using laser printing, showing effective bacterial inactivation.

## Contribution

The integration of molecular dynamics simulations with experimental analysis to understand copper distribution and antibacterial efficacy in L-PBF coatings.

## Key findings

- Copper-rich regions up to 69 at. % were observed in the melting pool due to rapid solidification and Marangoni convection.
- MD simulations confirmed copper surface segregation at high temperatures, aligning with experimental results.
- Coatings achieved complete inactivation of E. coli and A. baumannii within one hour.

## Abstract

The development of
antibacterial coatings is very important
for
reducing pathogenic microorganisms on frequently touched surfaces.
This study explores the formation of copper-based antibacterial coatings
on 304 stainless steel using laser powder bed fusion (L-PBF) and integrates
molecular dynamics (MD) simulations to analyze the melting and coalescence
processes at the nanoscale. Experimental results showed heterogeneous
copper distribution in the melting pool, with Cu-rich regions reaching
up to 69 at. %. SEM-EDS analysis confirmed localized phase separation
due to rapid solidification and Marangoni convection. MD simulations
of Cu-304SS nanoparticles demonstrated significant copper surface
segregation at 1600 K, validating experimental observations. The antibacterial
efficacy of the coatings was assessed against Escherichia
coli and Acinetobacter baumannii. Results showed complete bacterial inactivation within 1 h of exposure.
These findings provide insights into optimizing L-PBF parameters for
creating durable and efficient self-disinfecting surfaces.