Orientation effects on a high cis-1,4-polybutadiene induced by shear rate in a capillary rheometer

Molecular dynamics simulation of tempera

Molecular dynamics simulation of temperature and pressure effects on the intermediate length scale dynamics and zero shear rate viscosity of cis-1,4-polybutadiene: Rouse mode analysis and dynamic structure factor spectra

✍ Georgia Tsolou; Vagelis A. Harmandaris; Vlasis G. Mavrantzas 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 935 KB

A well-relaxed atomistic configuration of a 32-chain C 128 cis-1,4-polybutadiene (cis-1,4-PB) system has been subjected to long (on the order of a few microseconds) molecular dynamics (MD) simulations in the NPT ensemble using the united-atom forcefield introduced by Smith et al. [G. Smith, D. Bedro