Polymer simulations

MD-based polymerization method and associated publications:

  • “Molecular Simulations of Cross-linking Process of Thermosetting Polymers”, C. Li and A. Strachan, Polymer 51, 6058-6070 (2010). DOI: 10.1016/j.polymer.2010.10.033
  • “Molecular dynamics predictions of thermal and mechanical properties of thermoset polymer EPON862/DETDA” Chunyu Li and Alejandro Strachan, Polymer 52, 2920-2928 (2011). DOI: 10.1016/j.polymer.2011.04.041
  • "Effect of thickness on the thermo-mechanical response of free-standing thermoset nanofilms from molecular dynamics", Chunyu Li and Strachan, Alejandro, Macromolecules, 44, 9448–9454 (2011). DOI: 10.1021/ma201927n
  • “Molecular Dynamics Simulations and Experimental Studies of the Thermomechanical Response of an Epoxy Thermoset Polymer”, Chunyu Li, Grigori Medvedev, Eun-Woong Lee, Jaewoo Kim, James Caruthers, Alejandro Strachan, Polymer, 53, 4222-4230 (2012). DOI: 10.1016/j.polymer.2012.07.026
  • “Atomistic Simulations on Multilayer Graphene Reinforced Epoxy Composites”, Chunyu Li, Andrea Browning, Stephen Christensen and Alejandro Strachan, Composites Part A,43, 1293-1300 (2012). DOI: 10.1016/j.compositesa.2012.02.015
  • “Prediction of the chemical and thermal shrinkage in a thermoset polymer” Oleksandr G. Kravchenko, Chunyu Li, Alejandro Strachan, Sergii G. Kravchenko and R. Byron Pipes, Journal of Composites, Part A. 66, 35-43  (2014). DOI: 10.1016/j.compositesa.2014.07.002.
  • “Molecular Scale Simulations On Thermoset Polymers: A Review”, Chunyu Li and Alejandro Strachan, Journal of Polymer Science: Polymer Physics. DOI: 10.1002/polb.23489.