Nanoparticle Traffic on Helical Tracks:  Thermophoretic Mass Transport through Carbon Nanotubes

• Published in: Nano letters Vol. 6; no. 9; pp. 1910 - 1917
• Main Authors: Schoen, Philipp A. E, Walther, Jens H, Arcidiacono, Salvatore, Poulikakos, Dimos, Koumoutsakos, Petros
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 01.09.2006
• Subjects: Computer Simulation; Cross-disciplinary physics: materials science; rheology; Diffusion; Exact sciences and technology; Hot Temperature; Materials science; Models, Chemical; Models, Molecular; Motion; Nanoscale materials and structures: fabrication and characterization; Nanostructures - chemistry; Nanostructures - ultrastructure; Nanotubes; Nanotubes, Carbon - chemistry; Nanotubes, Carbon - ultrastructure; Particle Size; Physics; Thermodynamics; Nanoparticles; Gold; Inorganic compounds; Transition elements; Temperature gradients; Digital simulation; Molecular dynamics method; Theoretical study; Carbon nanotubes; Nanostructures; Diffusion; Nanostructured materials
• DOI: 10.1021/nl060982r
• ISSN: 1530-6984

Using molecular dynamics simulations, we demonstrate and quantify thermophoretic motion of solid gold nanoparticles inside carbon nanotubes subject to wall temperature gradients ranging from 0.4 to 25 K/nm. For temperature gradients below 1 K/nm, we find that the particles move “on tracks” in a predictable fashion as they follow unique helical orbits depending on the geometry of the carbon nanotubes. These findings markedly advance our knowledge of mass transport mechanisms relevant to nanoscale applications.