All Outputs (4)

Nonlinear shear of entangled polymers from nonequilibrium molecular dynamics (2019)
Journal Article

This work aims to improve the use of Molecular Dynamics simulations of Kremer-Grest chains to inform future developments of models of entangled polymer dynamics. We perform non-equilibrium molecular dynamics simulations, under shear flow, for well en... Read More about Nonlinear shear of entangled polymers from nonequilibrium molecular dynamics.

Molecular dynamics simulations of crystal nucleation in entangled polymer melts under start-up shear conditions (2019)
Journal Article

Understanding the flow induced crystallisation (FIC) process is necessary due to its technological relevance to polymer processing. Polymer crystallisation controls the morphology of semi-crystalline polymers and hence the properties of the end produ... Read More about Molecular dynamics simulations of crystal nucleation in entangled polymer melts under start-up shear conditions.

Characterising droplet breakup rates of shear-thinning dispersed phase in microreactors (2019)
Journal Article

A two-phase flow predictive model with the integration of conservative level-set method (LSM) and Carreau-Yasuda constitutive equation was developed herein. The LSM was chosen as a potential interface capturing scheme for elucidating the interfacial... Read More about Characterising droplet breakup rates of shear-thinning dispersed phase in microreactors.

Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations (2019)
Journal Article

Flow induced crystallisation in polymers is an important problem in both fundamental polymer science and industrial polymer processing. The key process of flow-induced nucleation occurs on a very rapid timescale and on a highly localised lengthscale... Read More about Understanding flow-induced crystallisation in polymers: a perspective on the role of molecular simulations.