Traumatic brain injury (TBI) is a brain pathology that is caused by external forces applied to the head in traffic or sport accidents, falls or violence. Diffuse axonal injury (DAI) is a type of TBI that leads to swollen and disconnected axons. Mild to low moderate DAI cannot always be diagnosed by conventional imaging techniques and if undetected, can cause further problems to the patient. This project aims to study multi-scale head injury mechanisms to assess the thresholds of axonal injuries in different scenarios. Therefore, we investigate the behavior of axon sub-cellular components under different strain types and rates using computational modeling. We combine molecular dynamics simulations and finite element modeling to model axonal deformation. A finite element model of the axon (Montanino et al. 2021) will be used to enlighten axonal behavior under different types of deformation that the axon might experience during an accident. The results will be coupled with molecular simulation results. In particular, we will use molecular dynamics techniques at atomistic and coarse-grain level to model different subcellular elements of the axon that are assumed to trigger the axonal injury and monitor their behavior under deformation. So far, models for different types of axonal membrane have been built at coarse grained (CG) level and equilibrated (Saeedimasine et al. (2021), Majdolhosseini et al. manuscript in progress). Now, the effect of deformation at different rates need to be investigated at both CG and atomistic level to elucidate if mechanoporation can trigger DAI. This project is funded by VR 2020-04496.