Synthesis and characterisation of star branched polyesters with dendritic cores and the effect of structural variations on zero shear rate viscosity

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