Papers on MD simulation and multiscale modeling of polymer based nanocomposites

Dear Colleagues,

 I am glad to share my papers on MD simulation and multiscale moldeling of polymer based nanocomposites. 
 
MD simulation of graphene-epoxy nanocomposites:

“The role of graphene in enhancing the stiffness of polymeric material: A molecular modeling approach” by R. Rahman, Journal of Applied Physics 113, 243503 (2013)   DOI: http://dx.doi.org/10.1063/1.4812275

"Molecular modeling of crosslinked graphene-epoxy nanocomposites for characterization of elastic constants and interfacial properties" by R. Rahman and A. Haque, Composites part-B, 54, 353-364 (2013)   DOI: http://dx.doi.org/10.1016/j.compositesb.2013.05.034

MD simulation of graphene-cellulose nanocomposites:

"Molecular dynamics modeling and characterization of graphene-cellulose nanocomposites" by R. Rahman, J. T. Foster and A. Haque, Journal of Physical Chemistry-A, 117, 5344–5353 (2013)   DOI: 10.1021/jp402814t

A peridynamics based hierarchical multiscale modeling of polymeric systems:

 "A peridynamics formulation based hierarchical multiscale modeling approach between continuum scale and atomistic scale" by R. Rahman and A Haque, International Journal of Computational Material Science and Engineering, 1, 1-19 (2012) DOI: 10.1142/S2047684112500297

In addition, in PDLAMMPS (Perdynamics based materials model in LAMMPS), the new linear viscoelastic material model has been included. The documantation can be found at :

http://lammps.sandia.gov/doc/PD /PDLammps_VES.pdf. 

Thanks
Rezwan