Atomistic Simulations of Slip-GB Interaction

One of the most fundamental problems in materials science is the interaction of dislocations with grain boundaries, as this is necessary to understand plastic deformation, creep, fatigue, fracture, etc.  Using Molecular Dynamics, our group simulates dislocations impinging upon and nucleating from various types of grain boundaries, including twins.  Many factors affect the result, including type of indicent slip, orientation of system, GB type, stacking fault energy of the material, internal stress state, strain rate, and temperature.  In this research, we use a novel technique to measure the activation energy of slip transmission and nucleation as a means to quantify the interaction.  Such a process is necessary to understand the complexities of slip-GB interactions and to obtain a means for comparing the energetics of the system during plastic deformation.

Collaborators: Tawhid Ezaz (Intel Corporation), Ian M. Robertson and Huseyin Sehitoglu (University of Illinois, Urbana-Champaign) 


Sangid MD, Ezaz T, Sehitoglu H, Robertson IM, “Energy of slip transmission and nucleation at grain boundaries,” Acta Materialia 59 283-296 (2011). 

Sangid MD, Ezaz T, Sehitoglu H, “Energetics of residual dislocations associated with slip-twin and slip-GBs interactions,” Material Science and Engineering A 542 21-30 (2012).

Ezaz T, Sangid MD, Sehitoglu H, “Energy barriers associated with slip-twin interactions,” Philosophical Magazine A 91 1464-1488 (2011).

Spearot DE, Sangid MD, “Insights on slip transmission at grain boundaries from atomistic simulations,” Current Opinion in Solid State and Materials Science, 18 188-195 (2014).

Sangid MD, Sehitoglu H, Maier HJ, Niendorf T, “Grain boundary characterization and energetics of superalloys,” Material Science and Engineering A 527 7115-7125 (2010).

© msangid 2014