Skip to main content

Polymer Nanocomposites

Polymer nanocomposites are materials that are made of polymers for elasticity and nanoparticles for strength and/or conductivity. Potential applications are aerospace, tissue engineering, alternative energy, and conductive textiles.

Publications in Journals and Books

  • SA Deshmukh, BJ Hanson, Q Jiang, and MA Pasquinelli, “Perspectives on the use of molecular dynamics simulations to characterize filler-matrix adhesion and nanocomposite mechanical strength”, in Interface and Interphase in Polymer Nanocomposites, (Scrivener Publishing/Wiley and Sons), Anil N. Netravali, K. L. Mittal, Editors; Chapter 14, pp. 379-412 (2017). DOI:10.1002/9781119185093.ch11
  • J Liu, J Moo-Young, M McInnis, MA Pasquinelli, and L Zhai, “Conjugated Polymers Assemblies on Carbon Nanotubes,” Macromolecules, 47(2), 705–712 (2014). DOI:10.1021/ma401609q
  • Q Jiang, SS Tallury, Y Qiu, MA Pasquinelli, “Molecular Dynamics Simulations of the Effect of the Volume Fraction on Unidirectional Polyimide-Carbon Nanotube Nanocomposites,” Carbon 67 440-448 (2014).  DOI:j.carbon.2013.10.016
  • SS Tallury and MA Pasquinelli, “Molecular dynamics simulations of stiff backbone polymers interacting with single-walled carbon nanotubes”, J. Phys. Chem. B 114(29): 9349–9355 (2010). DOI:10.1021/jp101191j
  • SS Tallury and MA Pasquinelli, “Molecular dynamics simulations of flexible polymer chains wrapping single-walled carbon nanotubes”, J. Phys. Chem. B 114(12): 4122–4129 (2010). DOI:10.1021/jp908001d

Publications in Conference Proceedings and Other Sources

  • MA Pasquinelli, Q Jiang, and J Moo-Young, “Interfacial Characteristics of Polymer Nanocomposites via Molecular Dynamics Simulations,” Texcomp-12 Conference, 26-29 May 2015, Raleigh, NC. PDF
  • Q Jiang, S Tallury, and M Pasquinelli, “Carbon Nanotube and Polyimide Interactions: A Molecular Dynamics Study,” Polymer Preprints, 53(2), 71 (2012). PDF
  • SS Tallury and MA Pasquinelli, “Modeling the interfacial phenomena of polymer-SWCNT interactions via molecular dynamics simulations,” Polymer Preprints, 52(1), 303-304 (2011). PDF
  • SS Tallury and MA Pasquinelli, “Effect of aliphatic segment length on nylon-SWCNT interactions via molecular dynamics simulation,” Polymer Preprints 51(1), 207-208 (2010). PDF
  • MA Pasquinelli and SS Tallury, “Molecular Simulations of the Interfacial Characteristics of Polymer Nanocomposites”, Proceedings of the International Conference on Engineering and Technological Innovation, International Institute of Informatics and Systemics, 1:4 (2009). PDF
  • SS Tallury and MA Pasquinelli, “Molecular dynamics simulations of nanocomposites comprised of single walled carbon nanotubes in various polymer environments,” Polymer Preprints 50(1), 417-418 (2009). PDF

Simulation Movies

Funding