|About this Abstract
||MS&T23: Materials Science & Technology
||Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
||A Molecular Dynamics Based Atomistic-scale Study to Investigate Mechanical Properties of Σ3 Incoherent Non-Arrhenius Grain Boundary
||T L Dora, Sandeep Kumar Singh, Akarsh Verma, Shigenobu Ogata, Radha Raman Mishra
|On-Site Speaker (Planned)
In this work, molecular dynamics simulations were employed to study the effect of Σ3 incoherent grain boundary on uniaxial tensile deformation of nickel. For this, a wide range of cryo, room and high temperatures (100 to 900 K), and strain rate range of 107 to 1010 s-1 were considered. The dislocation extraction algorithm in conjunction with the common neighbor analysis was used to identify the deformation governing mechanism for the pristine and grain boundary engineered (GBE) Ni configurations subjected to uniaxial tensile loading. The results revealed that the GBE Ni showed higher plasticity in the structure as compared to pristine Ni. Our results also showed that the yield stress and Young's modulus of Ni are almost insensitive to strain rate as long as the strain rate is kept below 108 s-1 at cryogenic or room temperature. These trends were observed in both pristine and GBE Ni.