Our latest paper, ” Exploring the Effects of Temperature, Transverse Pressure, and Strain Rate on Axial Tensile Behavior of Perfect UHMWPE Crystals Using Molecular Dynamics,” is accessible freely for 50 days from this link: https://authors.elsevier.com/a/1kT-A4rCEkw1es

The key findings can be summarized as follows:

• Elevated temperatures significantly reduce the strength of UHMWPE crystals, with the reduction in strength being more pronounced than that in modulus. 

• Temperature predominantly affects bond lengths, whereas transverse compression influences bond angles, thereby enhancing mechanical properties through improved interchain interactions. 

• A plateau in strength is observed when the loading velocity exceeds the maximum sliding velocity of broken chains. The thermal vibration frequency of carbon atoms corresponds to the strain rate at which transitions in properties occur.

This paper, combined with our two related publications: (1) https://doi.org/10.1016/j.polymer.2024.126779, and (2) https://doi.org/10.1016/j.polymer.2024.127564 provides a comprehensive understanding of how temperature, transverse pressure, strain rate, and molecular weight affect the strength and modulus of UHMWPE crystals.

Our ultimate goal is to use MD simulations to model a single UHMWPE fibril, incorporating its complex microstructural features (e.g., voids, amorphous regions, and interfaces). This will pave the way for more accurate multiscale finite element modeling.