title: Dynamic mechanical characterization of CNT-PP nanocomposites.
abstract: In this study, molecular dynamic simulations were used to carry out a dynamic mechanical analysis of polymer nanocomposites (PNC) containing polypropylene (PP) and various volume fractions of single walled carbon nanotubes (SWCNTs). After assembling the composite unit cell, relaxation studies were performed by loading the specimen to a predetermined strain under quasistatic loading and then sustaining the strain while allowing the material to relax. Nano level readjustments of the polymer chains took place during this process, reducing the overall stress levels in the specimen. Free volumes and small voids permitted chain mobility around the carbon nanotubes. By fitting a standard relaxation curve, the nano relaxation parameters of the PNCs were deduced. Relaxation studies were also conducted at different equilibrium temperatures. Using the time temperature transformation relation, a master curve was generated for the nanocomposite with 1.0% SWCNTs in order to obtain results over an extended period of time.
authors.affiliation: Department of Mechanical Engineering, Indian Institute of Technology Delhi, Room 182 Block-III, New Delhi, 110016, India. apurba005@gmail.com.
authors.forename: A
authors.initials: A
authors.lastname: Mandal
authors.affiliation: Department of Mechanical Engineering, Indian Institute of Technology Delhi, Room 182 Block-III, New Delhi, 110016, India. singhsp@mech.iitd.ac.in.
authors.forename: S P
authors.initials: SP
authors.lastname: Singh
authors.affiliation: Department of Applied Mechanics, Indian Institute of Technology Delhi, Room MS 207 / C-10, New Delhi, 110016, India. rajesh@am.iitd.ac.in.
authors.forename: R
authors.initials: R
authors.lastname: Prasad
mesh_terms: D056004:Molecular Dynamics Simulation; D053761:Nanocomposites / Q000737:chemistry*; D037742:Nanotubes, Carbon / Q000737:chemistry*; D011108:Polymers / Q000737:chemistry*; D011126:Polypropylenes / Q000737:chemistry*
chemical_list: D037742:Nanotubes, Carbon; D011108:Polymers; D011126:Polypropylenes
keywords: Molecular dynamics simulation; Nanocomposite; Stress relaxation