Data Sheet 1_Hybrid polymer chain discretisation for efficient and accurate implementation of hydrolytic chain scission models.pdf

Computational modelling can accelerate implant development, yet mechanistic frameworks such as the Discrete Chain Scission (DCS) model are limited by high computational cost. Consequently, efficient implementation strategies are needed to enable the application of mechanistic degradation models to realistic three-dimensional (3D) implant geometries.

We propose a hybrid polymer chain discretisation strategy that reduces computational cost while preserving mechanistic fidelity maintaining accurate implementation of the underlying degradation model. Simulations of random and chain-end scission demonstrate that hybrid discretisation maintains accurate predictions of molecular weight evolution and mass loss, as compared to the full model, while reducing computational cost.