Direct atomistic modelling of deformed polymer glasses

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureConferentiebijdrageAcademicpeer review

121 Downloads (Pure)


We use molecular-dynamics computer simulations to explore the influence of thermal and mechanical history of typical glassy polymers, atactic polystyrene (PS) and (bis)phenol A polycarbonate (PC), on their deformation. Polymer stress-strain and energy-strain developments have been followed for different deformation velocities, also in closed extension-recompression loops. The latter simulate for the first time the experimentally observed mechanical rejuvenation and overaging of polymers. Energy partitioning reveals essential differences between mechanical and thermal rejuvenation. All results are qualitatively interpreted by considering the ratio's of relevant timescales: for cooling down, for deformation, and for intrinsic segmental relaxation.
Originele taal-2Engels
TitelProceedings of the XVth International Congress on Rheology : the Society of Rheology 80th annual meeting (ICR 2008), 3–8 August 2008, Monterey (California)
RedacteurenA. Co, G.L. Leal, R.H. Colby, A.j. Giacomin
Plaats van productieMelville, NY
UitgeverijAmerican Institute of Physics
ISBN van geprinte versie978-0-7354-0549-3
StatusGepubliceerd - 2008

Publicatie series

NaamAIP Conference Proceedings
ISSN van geprinte versie0094-243X


Duik in de onderzoeksthema's van 'Direct atomistic modelling of deformed polymer glasses'. Samen vormen ze een unieke vingerafdruk.

Citeer dit