Our latest paper on ultra-high molecular weight polyethylene is now published in Modelling Simul. Mater. Sci. Eng. https://iopscience.iop.org/article/10.1088/1361-651X/ae9f79
Using molecular dynamics simulations, we evaluated how crystalline UHMWPE responds to tension, compression, and shear along different crystallographic directions. The results reveal strong mechanical anisotropy arising from chain orientation and distinct molecular mechanisms, including covalent-bond stretching, chain buckling, and sliding between chains.
Increasing the temperature from 300 to 400 K reduced stiffness across the chains by up to 49%, while pressure generally increased both stiffness and strength.
These molecular-scale insights provide essential inputs for continuum-scale finite-element models of UHMWPE processing and performance, including sheet consolidation, void collapse, and load transfer in high-performance composites.