Molecular dynamics simulation of mechanical properties in polymer nanocomposites reinforced with hydrogen and fluorine-functionalized SWCNTs

Key Points

• The study reveals enhanced mechanical properties in polymer nanocomposites with functionalized SWCNTs.
• Outstanding improvements include a 25% increase in tensile strength with hydrogen-functionalized SWCNTs.
• Molecular dynamics simulation demonstrates how the arrangement of SWCNTs affects material performance.
• These findings highlight the potential for using functionalized SWCNTs in advanced polymer applications.