|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Ultrafine-grained and Heterostructured Materials (UFGH XII)
||Defect and Substructure Evolution in Nanocrystalline Cu/Ni Composites under Continuous Shear Deformation and Thermal Annealing
||Nanjun Chen, Shenyang Hu, Arun Devaraj, Wahyu Setyawan, Peter Sushko, Suveen Mathaudhu
|On-Site Speaker (Planned)
Modeling material response under continuous shear deformation is of broad interest for understanding significant changes in microstructure and texture and achieving extraordinary material properties via solid phase process. In this work, large scale molecular dynamics (MD) simulations are used to explore defect and substructure evolution in nanocrystalline Cu/Ni composites under continuous shear deformation. To perform continuous shear, we introduce an on-the-fly periodic boundary condition adjustment to accumulate shear strain to reach any value. The simulations to a large shear strain (~200%) demonstrate the capability of proposed MD simulation scheme. The results reveal mechanisms of deformation and mass transport by atom cluster rotation, dislocation sliding, and nanograin sliding. The evolution of defects also indicates dramatic effects of temperature and loading path on defect accumulation and annihilation. The output of this work will fill the knowledge gap in understanding of deformation mechanisms, defect and substructure evolution under continuous shear at atomic level.
||Composites, Computational Materials Science & Engineering, Other