TY - GEN
T1 - Multiscale modeling on polymer nanocomposites considering percolated interphase
AU - Shin, H.
AU - Choi, J.
AU - Chang, S.
AU - Cho, M.
PY - 2014
Y1 - 2014
N2 - In this study, a multiscale homogenization modeling of polymer nanocomposites is conducted. The fundamental physics about mechanical behavior has not been established in view of nanoparticle/nanoparticle interaction and nanoparticle/polymer interaction when the fillers are agglomerated. In this study, molecular statics/dynamics approach is employed in order to characterize these kinds of fundamental physics. The interphase characteristics are investigated in continuum-based homogenization modeling. The elastic constants of polymer nanocomposites are decreased when the distance of nanoparticles are less than 1 nm. This is because the characteristics of interaction between polymer and nanoparticles are reduced as the polymer chains are difficult to be entangled in the vicinity of nanoparticles due to repulsive potential energy of nanoparticles. The degree of nanoparticle/polymer interaction is reflected in the elastic constants of effective interphase.
AB - In this study, a multiscale homogenization modeling of polymer nanocomposites is conducted. The fundamental physics about mechanical behavior has not been established in view of nanoparticle/nanoparticle interaction and nanoparticle/polymer interaction when the fillers are agglomerated. In this study, molecular statics/dynamics approach is employed in order to characterize these kinds of fundamental physics. The interphase characteristics are investigated in continuum-based homogenization modeling. The elastic constants of polymer nanocomposites are decreased when the distance of nanoparticles are less than 1 nm. This is because the characteristics of interaction between polymer and nanoparticles are reduced as the polymer chains are difficult to be entangled in the vicinity of nanoparticles due to repulsive potential energy of nanoparticles. The degree of nanoparticle/polymer interaction is reflected in the elastic constants of effective interphase.
KW - Interphase percolation
KW - Molecular dynamics simulation
KW - Multiscale homogenization
KW - Multiscale modeling
KW - Polymer nanocomposites
UR - https://www.scopus.com/pages/publications/84915749358
M3 - Conference contribution
AN - SCOPUS:84915749358
T3 - 16th European Conference on Composite Materials, ECCM 2014
BT - 16th European Conference on Composite Materials, ECCM 2014
PB - European Conference on Composite Materials, ECCM
T2 - 16th European Conference on Composite Materials, ECCM 2014
Y2 - 22 June 2014 through 26 June 2014
ER -