Multiscale Modeling Of Bone Fracture and Strength

Iwona Jasiuk, University of Illinois at Urbana-Champaign

Usage Details

Seid Koric, Iwona Jasiuk, Qiyue Lu, Fereshteh Sabet, Ashraf Idkaidek, Srikanth Raviprasad, Diab Abueidda, Chao Pan

We propose to use Blue Waters to run a multiscale computational model of bone fracture and strength. We will deploy and test an open-source software framework PERMIX for multiscale coupling and combine atomic level simulations to be conducted using NAMD with CHARMM and LAMMPS with finite element modeling using Abaqus and ParaFEM. The inputs will be taken from experiments. This will be the first experimentally based multiscale model of bone fracture and strength. It should have high impact on clinical assessment of bone in health and disease. More specifically, such model will serve as a novel tool for a more accurate prediction of osteoporosis, a bone disease characterized by bones’ susceptibility to fracture. Blue Waters is necessary because such multiscale model requires very high computational resources due to the hierarchy of bone structure and complex fracture phenomena in bones.